species: Ca Co

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cu O

sg:
Pnma #62
Cmce #64
Cmce #64

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: c c

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: c c


species: Mn O

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic

point_group_structure: dihedral

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX


species: Cu Hg

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Pd Re

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: K Mg

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Cu I

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


species: Al Ba

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_class_orig: ditrigonal-scalahedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: c c h

Wyckoff_letters_orig: a c c c

crystal_class: ditrigonal-scalahedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

Wyckoff_letters: c c h

Wyckoff_letters: a c c c


species: Fe O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Co F

species_pp: Co F

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: Co Zr


sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

point_group_type_orig: polar

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: a a a b b b b b b

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

point_group_type: polar

point_group_structure: cyclic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: a a a b b b b b b

Wyckoff_letters: a a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m m


species: Au Mg

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Ca Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O V


species: Nb O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: I V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: e h

Wyckoff_letters: f g


species: Au Co

species_pp: Au Co

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Ru Th

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c c


species: Bi O

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: Mo Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O W

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Co Li

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Ca Cr

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Fe Li


species: W Y


species: Sb Y

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Pt Zr


species: Ge Se

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET


species: Mg O

Bravais_lattice_orig: MCLC

Bravais_lattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

Wyckoff_site_symmetries_orig: m m


species: Mn Ni


species: Nb W


species: Cd Pt

species_pp: Cd Pt

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


species: Cu Sc


species: Cr K


species: Ca Ni


species: Li S


species: Cl N

species_pp: Cl N

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: b b

crystal_class: orthorhombic-pyramidal

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: b b


species: Cu Mg

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: O Tl

Bravais_lattice_relax: MCLC

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Bravais_superlattice_lattice_type: MCLC

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: Mo Os


species: Mn Re


species: O Y

Wyckoff_letters_orig: h h h

Wyckoff_letters_orig: c e h

Wyckoff_letters: h h h

Wyckoff_letters: c e h


species: Hf O


species: Rh Si

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b b b b b b b b b b b b c c c c

Wyckoff_letters: e e b i i i i c d


species: F Zn

species_pp: F Zn

sg:
Pmna #53
Pmma #51
Pmma #51

sg2:
Pmna #53
Pmna #53
Pmma #51

Wyckoff_letters: a f


species: Ag O

species_pp: Ag O


species: Ag Sc


species: Ir Ta


species: Cu Li


species: Ag Bi


species: Cr Li


species: Li Tc


species: F Ti

Wyckoff_letters_orig: a a

crystal_class: diploidal


species: Tc Ti

Wyckoff_letters_orig: b h

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: O Tc

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


species: Cr Ru


species: Bi Ti


species: Ho Pt

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: c c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d d

Wyckoff_letters: c c d


species: F Fe

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: b c

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i i

Wyckoff_letters: c b


species: Pr Rh

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: Ca V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: V Zr

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Wyckoff_letters_orig: a i

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

aflow_prototype_params_list_orig: a b/a c/a beta x3 z3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Cu Hg

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Cr Mn


species: Ca Co

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: Ce Pt

species_pp: Ce Pt


species: Cd O

species_pp: Cd O

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: F Se

species_pp: F Se

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

aflow_prototype_params_list_orig: a b/a c/a x2


species: Ni Zn


species: Ag Mn


species: Fe K


species: Co Cr


species: Ca Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I O

species_pp: I O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O Si

species_pp: O Si

Wyckoff_letters_orig: g j k k l l l l l l l l l l l l

Wyckoff_letters_orig: e f l l l l l l

Wyckoff_letters: g j k k l l l l l l l l l l l l

Wyckoff_letters: e f l l l l l l


species: Mn V


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: F Ni

Wyckoff_letters: d c


species: Ca I

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Si Tc

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating


species: Pb S


species: Ag Ru


species: Mn O


species: O Rh

Wyckoff_letters_orig: a a

Wyckoff_letters: a b

Wyckoff_letters: b a c


species: Re Ru

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: I Ti

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr K


species: Co Li

Bravais_lattice_lattice_type: MCLC

reciprocal_lattice_type: MCLC


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


species: O Sn

species_pp: O Sn


species: O Sr

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cu O

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Mn Mo

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Ga


species: Ag Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Mn

Wyckoff_letters_orig: a a a a a b b b b c

Wyckoff_letters_orig: b c c c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a a b b b b c

Wyckoff_letters: b c c c c


species: Ir Mo

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: F Fe


species: Li Ti


species: Ca Mn


species: Mg O

Wyckoff_letters: c e


species: Ca Co


species: O V

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m m m

Wyckoff_site_symmetries: m m m


species: Li Tc


species: C S

species_pp: C S

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters: i i i i i i i i


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Tc


species: Au Re


species: Fe I

aflow_prototype_params_list_orig: a b/a c/a alpha beta gamma x2 y2 z2

aflow_prototype_params_list_relax: a b/a c/a alpha beta gamma x2 y2 z2


species: Co Zn

species_pp: Co Zn

aflow_prototype_params_list_orig: a c/a x3


crystal_class_orig: tetragonal-trapezoidal


species: Cr O

Wyckoff_letters_orig: i i i i


species: Fe V


species: Co O

species_pp: Co O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i m

Wyckoff_letters: m m o

Wyckoff_site_symmetries: m m 1


species: Mg S

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: d i i

Wyckoff_site_symmetries: 2/m m m


species: Sc V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Ti

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Mo O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: O Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ca Cr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


Wyckoff_letters_orig: a c

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a c


species: Ag Cu

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: S Sn

species_pp: S Sn


species: O Pt

species_pp: O Pt


species: La Y


Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: I Ni


species: Cu Fe


species: Co Y

Wyckoff_letters_orig: a i

aflow_prototype_params_list_relax: a c/a x3


species: Fe Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Mg


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr N


species: Mn W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c d

Wyckoff_letters: a h j

Wyckoff_letters: b h i


species: Mg Nb


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Co V

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ti V


species: Cr Mn


species: Fe Mn


species: Fe Ni


species: Mo V

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: V Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Co Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cr Fe


species: Cu Fe


species: Cu Mo

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Ti


species: Cu W


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mn Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mn V

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Mn W

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mo Zn


species: Ni Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ni Zn

Wyckoff_letters: a d


species: Ti V


species: O Pb

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a b f f

Wyckoff_letters: e f f

Wyckoff_letters: a b f f


species: Hg Li

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3


species: Hg K


species: Hg S

species_pp: Hg S


species: Hg Yb

species_pp: Hg Yb


species: Ca Rb


species: Li Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Nb Rb

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Cl Mg


species: F Pb


crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic

aflow_prototype_params_list_orig: a b/a c/a beta x2 z2

aflow_prototype_params_list_relax: a b/a c/a beta x2 z2


species: Ce O

species_pp: Ce O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c b


species: Gd Ni


species: Yb Zn

species_pp: Yb Zn


species: Er Pr


species: Ce Ho


species: Co Sm

Egap_DOS_type: metal


species: Cr Ho

Wyckoff_letters: c d e


species: Dy Nd


species: Dy Yb


species: Al I

species_pp: Al I

Egap_DOS_type: insulator

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Ba I

crystal_class_orig: orthorhombic-bipyramidal


species: Hg I

species_pp: Hg I


species: I Zn

species_pp: I Zn

sg2:
Ibca #73
Ibca #73
Ibca #73

Wyckoff_letters_orig: c c e d f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c c e d f f

Wyckoff_letters: f f


species: Au Co

species_pp: Au Co


species: Cd Co

species_pp: Cd Co


species: Co O

Wyckoff_letters_orig: b c e e g

Wyckoff_letters: b c e e g


species: Hf V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ir Tc

Wyckoff_letters_orig: c d e


species: Ir W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni Y

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: O Sr


species: Co Rh


species: Ag Hg

species_pp: Ag Hg


species: Ho Mn


species: Rh Y

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hf Tc


species: Pd Tc


species: Mo Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd V

sg:
Pnnm #58
Pnnm #58
I4/mmm #139

sg2:
Pnnm #58
Pnnm #58
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: Rh V


species: Nb Ta

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cd La

species_pp: Cd La

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Hf Nb

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Er Fe


species: Ca I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr I

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe I

sg:
Pbcn #60
Pbcn #60
Ibam #72

sg2:
Pbcn #60
Pbcn #60
Ibam #72


species: I K


sg2:
Pnma #62
Pnma #62
I4/mmm #139

Wyckoff_letters_orig: c c


species: I Li


species: I Mg


crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: I Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Be I

Wyckoff_letters: c c


species: Ag I

species_pp: Ag I


sg2:
Immm #71
Immm #71
I4/mmm #139


species: Hg I


species: I Pb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Rh Ru


species: Ru W

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cu I

crystal_class: orthorhombic-bipyramidal


sg:
Pmmm #47
Pmmm #47
Pmmm #47


species: I Zn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a


species: Al I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sr

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: d b i


species: Hg Os

crystal_class: dihexagonal-dipyramidal


species: Ta Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cd Pd


species: Hg Sc

crystal_class: hexoctahedral


species: Nb V

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ir Pd

Wyckoff_letters_orig: c i

Wyckoff_letters: d i

aflow_prototype_params_list_relax: a b/a c/a beta x3 z3


species: La Ru

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cu Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: La Mn

crystal_class_orig: hexoctahedral


species: Os Zr


species: Pd Ta

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Rh Sc


species: Hg Pt

species_pp: Hg Pt


species: Ni Rh


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mn Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pt Re


species: Ta Zr


species: Hf Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hf W


species: Hf Zr


species: Mo Zr


species: Ta W


species: Hf Nb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


crystal_class_orig: tetrahedral


species: Mo W


species: Nb Ti

Wyckoff_letters_orig: c c


species: Nb Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Os Ta


species: Hf Re


species: Ni Re

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cu Re


species: Sc Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Au Cd

species_pp: Au Cd

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pd Ti


species: Ru Sc


species: Cu Tb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Sn Sr


species: Ca Zn


species: Ca V


species: Au Zr


species: Pb Tb

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: O Re

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: O Sr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Ge Se

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Bi O

crystal_class_orig: diploidal


species: Hg Mg

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca O


species: O Tb


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Co Rh


species: Dy Ni

Wyckoff_letters_orig: a c c d h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c

Wyckoff_letters: a c c d h


species: F Sr


species: Li Mn


species: H Ta


species: Co Sc


species: Mg S


species: S Tb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Ni


species: Pb Se


species: Ir Y


species: Cu O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j


species: Cr F


species: Ca Mg

Wyckoff_letters_orig: a c


species: Ca Ni


species: Ga Y

Wyckoff_letters_orig: a c h l

Wyckoff_letters_orig: g h m

Wyckoff_letters: a c h l

Wyckoff_letters: g h m


species: S Ta


species: Nb O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ru V


species: Fe Ta

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Nb Ni

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: K O


species: Li Tc


species: Au Ge

Wyckoff_letters_orig: b c d e e i i i i

crystal_class: tetrahedral

Wyckoff_letters: b c d e e i i i i


species: La Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ni P


species: F Fe


species: Cu F

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a

Wyckoff_site_symmetries: m m m m m m


species: Fe Pt


species: Mn Pt

crystal_class_orig: ditetragonal-dipyramidal


species: I V

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ge Te


species: I Nb

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Rh

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: h i

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: h i


species: Ca Li


species: Fe Li

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe O

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Co Ni

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Co Li


species: O V

Wyckoff_letters_orig: d c

Wyckoff_letters: c d


sg:
Pbca #61
Pbca #61
Cmce #64

sg2:
Pbca #61
Pbca #61
Cmce #64

Wyckoff_letters_orig: c c

Wyckoff_letters: f f


species: Mo O


species: Fe I


species: Au Zr


species: Au Mo


species: Li Mg


species: Cr K


species: Cu Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: F Ti

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: Cr O


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Rh

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

crystal_class: trigonal-trapezoidal

Wyckoff_letters: e g


species: F Fe

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d


species: O Zn

species_pp: O Zn


species: H O

species_pp: H O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: b a c


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb W


species: Co Y

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Nb O


species: N Sr


species: I Li


species: Ca Mn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Bi Ti


species: Os Tc


species: Pt V

crystal_class: ditetragonal-dipyramidal


species: O Os


species: Pt Si

species_pp: Pt Si


species: Br W

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


species: La V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hf O

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Dy Sn


species: Mn Se


species: Co O

species_pp: Co O


species: Cu K


species: O Sn

Wyckoff_letters_orig: e f k

Wyckoff_letters: e f k


species: Co Os


species: Mn O


species: I Mg


species: Cd Co


species: O Pt

species_pp: O Pt

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: O Zn

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ni W

crystal_class_orig: ditrigonal-scalahedral


species: Cu F

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: N Os


species: I Mn

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Cr O

sg:
Cmce #64
Cmce #64
Ccce #68


species: Cr V


species: Mn Zn

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb Ni


species: I Nb


species: Co Fe


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Ag W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe K


species: I Ti

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: Ni O

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Lu O

species_pp: Lu O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: Bi O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: c f f


species: In Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cs O


aflow_prototype_params_list_orig: a b/a c/a y2

aflow_prototype_params_list_relax: a b/a c/a y2


species: Mo O


species: Hf Zr


species: O Sc

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mg O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Sr

Wyckoff_letters_orig: j j


species: Ca Li


species: Os Zn


species: F Ni

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cr Mg


species: Ir Zr


species: Mn O


species: Nd Pt

species_pp: Nd Pt


species: Ni O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Ti


species: O W

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i i i i i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i i i i i i i i i

Wyckoff_letters: i i i i


species: Ir O

species_pp: Ir O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: Dy O


species: Cr F

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: c b


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe S

crystal_class: diploidal


species: Pt V


species: Nb O


Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: O Tb

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i


species: F V


species: O Y

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a c


species: Au O

species_pp: Au O

aflow_prototype_params_list_relax: a b/a c/a beta y2


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cr Fe


species: Li Mn

sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c g


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


crystal_class: dihexagonal-dipyramidal


crystal_class_orig: ditetragonal-dipyramidal


species: Li Pb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Ta

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: Pb Rb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co Fe

crystal_class: hexoctahedral


species: Cu Mn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni Zn


species: Cr Cu


Wyckoff_letters_orig: c g


species: Cr Mo

sg:
Pnnm #58
Immm #71
Immm #71


species: Cu Ti


species: Cu W

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe Ti


species: Fe W


species: Mn Ni


species: Mo V


species: Mo W

Wyckoff_letters: c d e


species: V W


species: Co Cr


species: Co Cu

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Co Mo

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Co W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Zn

species_pp: Co Zn


species: Cr Zn


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cl Nb

aflow_prototype_params_list_orig: a c/a y2


species: Hg Te

species_pp: Hg Te

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hg K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Mg


species: Hg S

species_pp: Hg S


species: K Ta


species: Pb Ta

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Hg Zr


species: F Pb

sg:
Pmna #53
Pmma #51
Pmma #51

sg2:
Pmna #53
Pmma #51
Pmma #51

Wyckoff_letters_orig: e h

Wyckoff_letters: a f


species: O Sm

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Pm Sm


species: Tb Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: c b b b b a a a a a

Wyckoff_letters_orig: c c c c b

Wyckoff_letters: c b b b b a a a a a

Wyckoff_letters: c c c c b


species: Cl Pb


species: Gd Ti


species: Co Er

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Cr Dy


species: Dy Ti

crystal_class: ditrigonal-scalahedral


species: Er Ti

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Sm Ti


species: Sm V


species: Ge I

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hf Ni

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Tc W


species: Cd Re


species: Fe Hg


species: Au W


species: Re W


species: Ag Y


species: La Re


species: Os Pd

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ta Zr


species: Ge Tb


species: Pt V

crystal_class: tetrahedral


species: Au Ta

sg2:
Pnnm #58
Immm #71
Immm #71


species: Cr Pm


species: Cu Pt


species: Fe Hf


species: Tc Zr


species: Ag Ir

species_pp: Ag Ir


species: Au Tc


species: Pt Ta


species: Cu Zr


species: La Tc


species: Au Rh


species: Ca I

Wyckoff_letters_orig: b b c a a a

Wyckoff_letters: b b c a a a


species: Co I

species_pp: Co I

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Fe I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: I K

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i

Wyckoff_letters: d i i i

Wyckoff_site_symmetries: 2/m m m m


Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e

Wyckoff_letters: e e


species: I Li


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I Mg


Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

Wyckoff_letters: a c h p

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: I Ni

Egap_DOS_type: half-metal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Be I

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Si

species_pp: I Si

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: I Zr


species: Ag I

species_pp: Ag I


species: Ba I

Wyckoff_letters_orig: b b a a a a

Wyckoff_letters_orig: c c c c c c b b b b a a

Wyckoff_letters: b b a a a a

Wyckoff_letters: c c c c c c b b b b a a


species: Hg I

species_pp: Hg I


species: Cu I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters: g h


Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: d i


species: I Zn

species_pp: I Zn

sg:
Cmce #64
Pmma #51
Pmma #51


species: Au Pd


species: Fe O

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a


species: Os Pd


species: Cd Rh

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ir Ni


species: Rh Y


species: La Ru


species: Ni Pt

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Sc Y

crystal_class_orig: dihexagonal-dipyramidal


species: Ag Sc


species: Ag Ta


species: Hg Pt

species_pp: Hg Pt


species: Zn Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Ru


species: Ir Ru


species: Hf Ti


species: Mo Zr


species: V Zr


species: Mo Ta


species: Nb W


species: Ta V


species: As In

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Au Tc


species: Hg Re

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd Fe

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Zr

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: F Sm


species: Hf V

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Nb Y

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Os Ta


species: Ag Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: g i

Wyckoff_letters: h i


species: Ag Mn

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Re Ru

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mo N

crystal_class_orig: dihexagonal-pyramidal


species: Fe K


species: Cr Mn

crystal_class_orig: ditrigonal-scalahedral


species: Mo Pt


species: Eu O

species_pp: Eu O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f h


species: Hg Zr


species: Ca Fe

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Zn

species_pp: O Zn


species: Li Zn

crystal_class_orig: hexoctahedral


species: Ca Co


species: Hf Tc


species: Ca Si


species: Co F

species_pp: Co F

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co O

species_pp: Co O

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: I Mn

sg:
Pmmm #47
Pmmm #47
P4/mmm #123


species: Co K


species: O Tc

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Sr

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i i i i i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i


species: Au Sc

sg2:
Pmmm #47
Pmmm #47
P4/mmm #123

Wyckoff_letters: a h


species: Co Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I K


species: O V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg O

species_pp: Hg O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: a h


species: Cd W


species: Hg Mn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn Re


species: O Ta


species: O Rh

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Bi Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: As Ni


species: Cd Co

species_pp: Cd Co


species: Li Zn


species: Sc Ti

crystal_class: ditetragonal-dipyramidal


species: Li O

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


species: Nb W


species: Ca Mg

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: K O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: Fe H

Wyckoff_letters_orig: e h k l m

Wyckoff_letters: e h k l m


species: Mg Te

crystal_class_orig: trigonal-trapezoidal


species: F Tc

Wyckoff_letters_orig: a b b b

Wyckoff_letters: a b b b


species: O W


species: Rh Ta


species: Co Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd Sc


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Al Hf

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d f g

Wyckoff_letters: d f g


species: I Zn


species: Mo Sc

crystal_class: ditrigonal-dipyramidal


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd O


species: Pb Te


species: La Mo

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ru W


species: F Mn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: b c

Wyckoff_letters: i i i i

Wyckoff_letters: c b


Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Co F

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b b b a a a a a a a a

Wyckoff_letters_orig: c c c c c c c c c c c c b b b b b b b b a a a a

Wyckoff_letters: b b b b a a a a a a a a


species: Ca O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

Wyckoff_letters: a c d

Wyckoff_letters: b c e


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr K

crystal_class_orig: tetrahedral


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i i i


species: P Tb


species: Mn Nb


species: Li O

crystal_class_orig: diploidal

crystal_class: diploidal


species: Cu K


species: Mg O

Wyckoff_letters_orig: d h

Wyckoff_letters: d h


crystal_class_orig: orthorhombic-bipyramidal


species: Ca Co


species: Os Sc


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Ca Fe

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn O

sg:
Pnma #62
Cmce #64
Cmce #64

crystal_class: orthorhombic-bipyramidal


species: Hf Pt


species: I O

species_pp: I O

crystal_class_orig: ditrigonal-scalahedral


species: Cr F

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Ru Tc

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: O Ru

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a


species: Cd Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: K Mg

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: F V

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: O Ta

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cr Mo


species: Ca Cr


species: Bi O

sg:
Pmmn #59
Pmmn #59
Cmmm #65

sg2:
Pmmn #59
Pmmn #59
Cmmm #65

Wyckoff_letters_orig: a e e

Wyckoff_letters: a h g


species: Li Mn


species: Ag Nb


species: Pt W

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cr Tc


species: Ag C

species_pp: Ag C


species: Mo O

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: O Si

species_pp: O Si


species: Cr O


species: Ag La

species_pp: Ag La

crystal_class_orig: tetragonal-dipyramidal


species: Fe Ti


crystal_class_orig: orthorhombic-pyramidal


species: Rh Zn


species: Ca Cu


species: Sn Zr

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70


species: Ge H

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: O Ti

crystal_class: ditrigonal-scalahedral


species: Co Rh


species: K Li

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: i i


species: Cr Li

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: Te Zn

species_pp: Te Zn


species: Ge S

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Mn Rh


species: I Nb


species: Ca Li

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ir W


species: Mg O

crystal_class: tetrahedral


species: Hg Zn

species_pp: Hg Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe Mg

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ba Sb

sg:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: c c d

Wyckoff_letters: c d d

Wyckoff_letters: c c d


species: Ni Si

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c d d g g g g

Wyckoff_letters_orig: c d d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c d d g g g g

Wyckoff_letters: c d d e f


species: Nb Ni

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: O Tc


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co K

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Mn


species: F Fe

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: rhombohedral


species: Li Ni

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Cr Ti


species: Ti Zn


species: Fe O

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4

aflow_prototype_params_list_relax: a c/a z4


species: Ag N

species_pp: Ag N


species: Cr Mg


species: Ag Hf


species: Pd Tc


species: Co O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Mo Tc


Wyckoff_letters_orig: a i i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i

Wyckoff_site_symmetries: 2/m m m m m


species: Cu F

sg:
Ibam #72
Ibam #72
Cmmm #65

sg2:
Ibam #72
Ibam #72
Cmmm #65


species: K O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Sn

species_pp: O Sn


species: Co Tc


species: O Os


species: Cr Ni

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Au Zn

species_pp: Au Zn


species: Ca Mg

Wyckoff_letters: a f


species: Cu O


species: Hg Pd

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca Fe


species: O Si

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pnc2 #30
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters_orig: a b c c

Wyckoff_letters: d d d

Wyckoff_letters: c d


species: Ag Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: K Pb


species: Mg Pb


species: Ca Pb


species: Co Mo


species: Co Ni

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr W


species: Cu Fe


species: Cu Ti


species: Cu V


species: Fe Mn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Mo

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Fe Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe W


species: Mn V


species: Mn Zn


species: Mo Ti


species: Mo Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ni W

Wyckoff_letters_orig: a f


species: Ti W


species: Co Zn

species_pp: Co Zn


species: Cr Cu


species: Cr Fe

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr V

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Cu Fe


species: Cu Ti


species: Mn W


species: V Zn


species: Cl K


species: Cl Ta

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d


species: F Pb


species: O Pb

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_letters_orig: a a a b b b b b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a a

Wyckoff_letters: a a a b b b b b b


species: Ca Hg


species: Hg Ho

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Hg Rb

Wyckoff_letters_orig: a g i j

Wyckoff_letters: a g i j


sg2:
Cmmm #65
Cmmm #65
P4/mmm #123


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


species: Ca Ta


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Nb Rb


species: Hg Li


Wyckoff_letters_orig: a a


species: Dy O

Wyckoff_letters_orig: e g

Wyckoff_letters: d f


species: Nd O

species_pp: Nd O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: O Yb

species_pp: O Yb

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Co Nd

species_pp: Co Nd

crystal_class: ditrigonal-dipyramidal


species: Pb Rb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


sg2:
Pnnm #58
Pnnm #58
Pnnm #58

crystal_class_orig: orthorhombic-bipyramidal


species: Er Eu

crystal_class_orig: ditrigonal-scalahedral


species: Tb Zn


species: Ce Co

species_pp: Ce Co

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Er


species: Ho Ni


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ho Zn


species: Mn Yb


species: Nd Tb


species: Tb V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cd I

species_pp: Cd I

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


species: Hg I

species_pp: Hg I

Wyckoff_letters: a a


sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: I Ni


species: I In

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cd Os


species: Cr Ir


species: Hf Mo


species: Ir Y


species: Ta Zn


species: Mn Ta

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c


species: Mo Tc


species: Rh Ru


species: Cu Rh

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Nb Rh


species: O Ti

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Rh Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Au Os

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Tc Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Hf Pt

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Pd Pt


species: Cd Y


species: Cl S

species_pp: Cl S

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Co I

species_pp: Co I

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr I

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i i i i i i i i i i i


Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Fe I


sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: I K


Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a g

Wyckoff_letters: g g

Wyckoff_letters: a g


species: I Ni

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: I Zr


species: Cd I

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c d d d d

Wyckoff_letters: a c d

Wyckoff_letters: c d d d d


species: I In

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ba I

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Hg I

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e


species: Hf Ti


species: Mn Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cs I


species: Cr Ir

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ni Pt


species: Pt Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca Si


species: Co Hf

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cu Ir


species: Ir Zn

species_pp: Ir Zn


species: Cr Y


species: Co Ru

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Sc


species: Pr Tb


species: Mo Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ni Os


species: Au Ti

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Cu Hf

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Fe O

sg:
Pmm2 #25
Pmmm #47
Pmmm #47

sg2:
Pmm2 #25
Pmmm #47
Pmmm #47

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: a l

Wyckoff_letters: d k


species: Fe Os


species: Mn Ta


species: Os V


species: Cr Ir

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ru V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Au Ni


species: Sr Te


species: Mo Nb


species: Nb W


species: Ta Ti


species: W Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag W


species: Os Y

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Sc W


species: La Pd

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd Zr


species: Os Zn

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: S Si

species_pp: S Si

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I V

crystal_class_orig: diploidal

crystal_class: diploidal


species: Co I

Wyckoff_letters_orig: f f f k

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters: f f f k

Wyckoff_letters: c d e f k k


species: Cr W


species: O Sc

crystal_class: hexoctahedral


species: Hg Zn

species_pp: Hg Zn


species: Li Ni


species: Fe Ru

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Pb Te


species: I Ta

sg:
Cmcm #63
Cmcm #63
Cmcm #63


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: F Fe

sg2:
Pnma #62
Pnma #62
Cmce #64


species: F Nb

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


species: Ca Cr


species: Ca V


species: Pd Ta


species: W Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e e


species: Fe Pd

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Bi V


species: Ca F

crystal_class_orig: tetragonal-trapezoidal


species: Co Ru

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: h k

Wyckoff_letters: a b

Wyckoff_letters: h k


species: Ti W

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Rh Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Pt

crystal_class: orthorhombic-pyramidal


species: I K


species: Cu F

Wyckoff_letters_orig: e f


species: Ca Mn


species: Ca Fe


species: O Sn

species_pp: O Sn

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d


species: O Zn

species_pp: O Zn

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a a a b b b

Wyckoff_site_symmetries_orig: m m m m m m m m 1 1 1

Wyckoff_letters: a a a a a a a a b b b

Wyckoff_site_symmetries: m m m m m m m m 1 1 1


species: Co Li

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Ca V

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Sc Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mg O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: F Ni

Wyckoff_letters: c d


crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Cl Zr

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Au Mo

Wyckoff_letters_orig: g h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h


species: F V

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4


species: Ho Ir

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ga La

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: g m

Wyckoff_letters: g m


species: F Sn

species_pp: F Sn

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: O Ti

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a a


species: Cd Cr


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m m m


species: Co Zr

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ca O


species: Fe Mg


species: Fe K

crystal_class: ditrigonal-scalahedral


species: Ca Tc


species: Pd Se


species: Ge Mo

crystal_class: ditetragonal-dipyramidal


species: F Pb

Wyckoff_letters_orig: c c


species: O Si

species_pp: O Si


species: Mg O


species: Pb Se


species: Tc Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ru V


species: O V

Wyckoff_letters_orig: a d e e

Wyckoff_letters: c e


species: F Hf

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: Cd V


Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Co Mg


species: Cr O


species: O Ti

sg:
Pnma #62
Cmcm #63
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


sg2:
Immm #71
Immm #71
Immm #71


species: Pd Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Mg

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: I Te

species_pp: I Te

Wyckoff_letters_orig: h h i

Wyckoff_letters: h h i


species: Cd Cr

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe Li


species: Ho O


species: Te V


species: Co Cu

Wyckoff_letters: c c


species: Ca Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: F Mg


species: O Zr

Wyckoff_letters_orig: a a


species: Fe O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: Rh Y

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c c


species: O Sc

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Nb Ti


species: O V

crystal_class_orig: monoclinic-domatic


species: Cd Mn


species: La Ti


species: La Pd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Sn

Wyckoff_letters_orig: a f h

Wyckoff_letters: a f h


species: O Re


species: Mo O


species: S V

Wyckoff_letters_orig: i j j

Wyckoff_letters: i j j


species: Cd O


species: O Ti

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Ni O


species: Mn W

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Ca Si

Wyckoff_letters_orig: i m

Wyckoff_letters: i m


species: I Nb

Wyckoff_letters_orig: c c b b b a a a a a

Wyckoff_letters_orig: c c c b b

Wyckoff_letters: c c b b b a a a a a

Wyckoff_letters: c c c b b


species: I Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Fe


crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Rh Sb


species: Ca Cu

crystal_class: tetragonal-dipyramidal


species: Li O

crystal_class_orig: monoclinic-prismatic


crystal_class_orig: ditrigonal-scalahedral

aflow_prototype_params_list_orig: a c/a x2


species: Ti Zr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: In Se

sg:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: g g g g

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g g

Wyckoff_letters: g g g


species: Cd Ni

crystal_class_orig: dihexagonal-dipyramidal


species: Ir S

species_pp: Ir S


species: Au Tc


species: Mg O


species: Nb O


species: Ru Ta

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Mn

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Fe O

Wyckoff_letters_orig: m m o

crystal_class: monoclinic-prismatic

Wyckoff_letters: m m o


species: O Rh

Wyckoff_letters_orig: c d


species: O Sr

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Fe Li


species: F Sb

species_pp: F Sb

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal


species: Mn O


species: Ga Ho

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4


sg2:
Pmmm #47
Pmmm #47
P4/mmm #123


species: Co Mg

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Ca Fe

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O V

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cr F

aflow_prototype_params_list_orig: a c/a z2


crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a


species: I Ta

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: O Ta

Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e

Wyckoff_letters: e e


species: Li Pb


species: Co Mo

aflow_prototype_params_list_orig: a c/a


species: Cr Mn


species: Cu V

Wyckoff_letters_orig: a c


species: Co Cr


species: Co Cu

crystal_class_orig: tetragonal-dipyramidal


crystal_class_orig: ditrigonal-dipyramidal


species: Cr V


species: Mn V


species: Ni Zn


species: V Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Mn


species: Cu Ti


Wyckoff_letters: c d e


species: Ni Ti


species: Ni V


species: Ti W

Wyckoff_letters: a c


Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Cu W


species: F Pb


species: Hg Os


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hg Ho


species: Hg In

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Hg Yb

species_pp: Hg Yb

crystal_class: hexoctahedral


species: Cs Nb


species: K Rb


species: Mg Ta


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pb Ta


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Rb Ta


species: Li Nb


species: Cl Nb


species: O Sm

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Ho


species: Tb Zn


species: Ce Mn


species: Cu Nd


species: Ce Zn

species_pp: Ce Zn

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Co Pr

species_pp: Co Pr


species: Cr Gd


species: Cr Yb


species: Ho Pr


species: Ho Zn

Wyckoff_letters: b c


species: Sm V


species: Co I

species_pp: Co I

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd I

species_pp: Cd I


species: Hg I

species_pp: Hg I


species: I In


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Zn

species_pp: I Zn

sg2:
Ibca #73
Ibca #73
Ibca #73

Wyckoff_letters_orig: c c e d f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c c e d f f

Wyckoff_letters: f f


sg:
Ibca #73
Ibca #73
Ibca #73

Wyckoff_letters_orig: f f e e f f f f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f e e f f f f f

Wyckoff_letters: f f f f


species: Ag Tc


species: Cr Os

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cu Rh

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cu Ru


species: Hg Mn


species: Hg Pd


species: Nd Ni


species: Pd Sc


species: Cu La

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ag Y


species: Au Os

sg:
Immm #71
Immm #71
Immm #71


species: Cd Hf


species: Cu Hf

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Gd Pm

species_pp: Gd Pm


species: Os Ti

Wyckoff_letters: c d e


species: Cd Cu

sg2:
Pnma #62
Pnma #62
Pnma #62


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Ru


species: I Ta

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: i i


species: Er V

crystal_class: dihexagonal-dipyramidal


species: Co I

crystal_class_orig: diploidal

crystal_class: diploidal


species: Cr I

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


crystal_class_orig: ditetragonal-dipyramidal


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: c c

Wyckoff_letters: g g


species: I Li


sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a


Wyckoff_letters: e e e


species: I Mg


crystal_class: ditrigonal-scalahedral


species: I Si

species_pp: I Si

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Rb


species: I Zr

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters_orig: c c d i

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c c f h i j k

Wyckoff_letters: c c d i


species: Cd I

Wyckoff_letters: c c


species: I Sn

species_pp: I Sn


species: Hg I

sg2:
Fmmm #69
Fmmm #69
I4/mmm #139


species: I Pb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c c b b b a a a a a

Wyckoff_letters_orig: c c c b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c c b b b a a a a a

Wyckoff_letters: c c c b b


species: Cu I

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: Ga I

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: I Sr


species: Os Y


species: Ti Zr

Wyckoff_letters: a c


species: Os Pt


species: Au Cu

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cu Pd

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Gd Pm


species: Os Zn


species: Co Nb


species: S Si

species_pp: S Si

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cr Rh


species: Hg Mo


species: Hf Mo

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hf V


species: Nb Ta


species: Ta V


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Tc


species: Ta Zr


species: Ni Pd


species: Cd Cr

Wyckoff_letters_orig: c c


species: Ir Sc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: La Os


species: Ir Zr


species: Sc Zn


Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3


species: Co Os

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ca O


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: O Tc

sg:
Cmce #64
Cmce #64
Pmmm #47

sg2:
Cmce #64
Cmce #64
Pm #6


species: Ta Tc

Wyckoff_letters_orig: a c


species: Tc V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Sn Ti


species: K Mg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Mn


species: O Ti

sg:
Pmmn #59
Cmmm #65
Cmmm #65

sg2:
Pmmn #59
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e e

Wyckoff_letters: a h g


species: Mo O

crystal_class_orig: tetragonal-trapezoidal


species: O Sn

species_pp: O Sn


species: Mn O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i i


species: Cd O

species_pp: Cd O


Wyckoff_letters: a c


species: Ga Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: W Zr


species: In K

Wyckoff_letters_orig: c e f

Wyckoff_letters: c e f


species: W Y

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hg O

species_pp: Hg O


species: Ca Zn


species: O V

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g


species: Cd Rh

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a i

aflow_prototype_params_list_orig: a b/a c/a beta x3 z3


species: V Zr

crystal_class_orig: ditrigonal-scalahedral


species: Co Cr

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c


species: F Sb

species_pp: F Sb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca O

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Ti

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: c c c d e

Wyckoff_letters_orig: e e

Wyckoff_letters: c c c d e

Wyckoff_letters: e e


species: Fe H

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: e e e e


species: Ta W

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Sr


species: H Mg

Wyckoff_letters_orig: a a


species: P Ti

Wyckoff_letters_orig: a c f f k k k

Wyckoff_letters_orig: f f f g g g j j j k k k

Wyckoff_letters: f g


species: P Sm

species_pp: P Sm

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Hf Hg


species: I Nb

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


species: F Fe


species: Cd Th


species: Li Tc

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Pd W


species: Bi Ce


species: Fe I


species: Eu F

species_pp: Eu F

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O V

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: j j


species: Ca Tc


species: Li Mg

Wyckoff_letters_orig: g h

Wyckoff_letters: a c


species: F Sr

Wyckoff_letters_orig: c c


Wyckoff_letters_orig: a c


species: Ca Mg

Wyckoff_letters: g h


species: Cr K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr F

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


sg2:
Pnma #62
Pnma #62
I4/mmm #139


species: Mg O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca O


species: F V

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: F Zn

Wyckoff_letters_orig: a a a a a a a b b b b b b c

Wyckoff_letters_orig: b c c c c c c

Wyckoff_letters: a a a a a a a b b b b b b c

Wyckoff_letters: b c c c c c c


species: As Cu

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: Ca Ni

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Mn Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ge Te


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: d d d

Wyckoff_letters: c c d

Wyckoff_letters: d d d


species: Ca Cu

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ho Se

Wyckoff_letters: a c


species: Mn W

sg:
Immm #71
Immm #71
I4/mmm #139

sg2:
Immm #71
Immm #71
I4/mmm #139


species: Co F

species_pp: Co F


species: Ca Mn


species: Co K

Wyckoff_letters_orig: b f

aflow_prototype_params_list_orig: a b/a c/a


species: Mn Sc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Au Zr


species: Co Cr

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: I Tc

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Mg N

Wyckoff_letters_orig: a c


species: Ca Zn

crystal_class_orig: hexoctahedral


species: O Sn


crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-sphenoidal


species: K Te


species: Cu Hg


species: Ge Te

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: O Sc

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i


species: Ca K


species: Li Mg


species: Cu Hf


species: F V


species: Cu O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Cr O


species: Mo Ru

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cr Li


species: Fe Mg


species: F Hf

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I Tc


species: Ca V


species: Cu F


species: Ge O

crystal_class: tetragonal-trapezoidal


species: Sc Zr

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Nd O

species_pp: Nd O


species: Ca F

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: hexoctahedral


species: Cd Nb


species: Mg O


species: O Ta

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e e


species: N Rh


species: Dy Sb


species: Sn Te

species_pp: Sn Te


species: Pb S

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Mg S

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: F Ti


species: Mn O


species: Cr Re

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: O Sn

crystal_class_orig: diploidal


species: Cu Ta


species: Cu O


species: O Sc


species: O V


species: Cr Li


species: N Nb


species: F V


species: B Li

Wyckoff_letters_orig: a e g

Wyckoff_letters: a e g


species: I Mn

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Sr

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cu F

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e g i


species: F Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mg Se


species: Hg Rh

crystal_class_orig: ditetragonal-dipyramidal


species: Ni O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: Ca K

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu V

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Nd Se

species_pp: Nd Se


species: Cu Zn


species: O Sn

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: h g o

Wyckoff_letters: g h o


species: Cu Mg


species: Ca Zn


species: Li Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe H


species: Ca O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: a c f l

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b e

Wyckoff_letters: a c f l


species: O W


species: I V

crystal_class_orig: ditrigonal-pyramidal


species: Mn Se


species: I Mn


species: La Zr

Wyckoff_letters_orig: a d

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a d


species: Ge S

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: O Y

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: j j j

Wyckoff_letters: j j j


species: Cu F

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Cu Li

Wyckoff_letters_orig: a g h i j

Wyckoff_letters: a g h i j


species: Ca Pb


species: Co Mn

crystal_class: diploidal


species: Fe Mn


species: Co Cr


species: Cr Ni


species: Cr W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu W

crystal_class: ditrigonal-scalahedral


species: Cu Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Fe Ni


species: Fe Ti


species: Fe Zn


species: Mn Ti


species: Mn Zn


crystal_class: ditetragonal-dipyramidal


species: Mo Ti


species: Ni Zn


species: Co Ni


species: Co V


species: Cr Fe


species: Cr V


species: Cu Mn


species: Cu Ti


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ni W

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ti Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: W Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Cl Pb

Wyckoff_letters_orig: c c b b b a a a a a

Wyckoff_letters_orig: c c c b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c c b b b a a a a a

Wyckoff_letters: c c c b b


species: O Pb


species: Hg Ho


Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


sg2:
Pmmm #47
Pmmm #47
P4/mmm #123

Wyckoff_letters_orig: a l


species: Hg K

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg Mg


species: Hg S

species_pp: Hg S

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Hg Te

species_pp: Hg Te

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters: a l


species: Hg Yb

species_pp: Hg Yb


species: Ca Rb


species: Ca Ta

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Rb Ta

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cl Nb

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: F Li


species: F Nb

sg:
Pbcn #60
Ibam #72
Ibam #72

sg2:
Pbcn #60
Pbcn #60
Ibam #72

Wyckoff_letters_orig: c c d

Wyckoff_letters: f g


species: Cl Ta

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: Cu Dy

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Pm


species: Pr Zn

species_pp: Pr Zn


species: Nd V


species: Cs F


species: Ce Cu


species: Er Mn


species: Er Tb


species: Ho Zn


species: Ni Sm


species: Sm V


species: I Pb


species: Ag V


species: Hf Mo


species: Ni Rh


species: Cd Co

species_pp: Cd Co


species: Hf La

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ag Nb

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ir Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ru Ta

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Sc Zr


species: Cr Re

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hf Ti


species: Ir Ni


species: Pt V

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ag Pt

species_pp: Ag Pt


species: Au Ti


species: Cu La

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Sc Tc


species: Au V


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mo Zr


species: Ag Zn

species_pp: Ag Zn


species: Ag Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au W


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ca I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i


species: Fe I

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


crystal_class: dihexagonal-pyramidal


species: I K

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: I Li


species: I Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


sg:
Pnnm #58
Pnnm #58
Pnnm #58


Wyckoff_letters_orig: h k

Wyckoff_letters_orig: a b

Wyckoff_letters: e j

Wyckoff_letters: c d


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a a a a a a a b b b b b b c

Wyckoff_letters_orig: b c c c c c c

Wyckoff_letters: a a a a a a a b b b b b b c

Wyckoff_letters: b c c c c c c


species: I Sb

species_pp: I Sb

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: I Pb

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: Nb Zr


species: Cu I

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


crystal_class: monoclinic-prismatic


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ga I

Wyckoff_letters_orig: c d


species: Hf Pt


species: Pd Zr


species: Au Ir

species_pp: Au Ir


species: Cd Nb

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Os W


species: Ti Y


species: Ba S

crystal_class_orig: ditetragonal-pyramidal


species: Ni W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sn

species_pp: O Sn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Mo Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb Te

Wyckoff_letters_orig: b b

Wyckoff_letters: a b

Wyckoff_letters: b b


species: Ce Zn

species_pp: Ce Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Mg Sb


species: Pt Ti


species: Hf V

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Nb W


species: Ta W

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Ti Zr


species: Nb V


crystal_class_orig: hexoctahedral


species: Ag Zr


species: Cr La


species: Cs Hg

crystal_class_orig: ditrigonal-scalahedral


species: Mn Sc


species: N Sn

species_pp: N Sn

Wyckoff_letters_orig: a e


species: Rh Tc


species: Cd Fe


species: La V

sg2:
Cmmm #65
Cmmm #65
P4/mmm #123

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Cd Hf


species: Nb Se

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ge Pt

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O W

Wyckoff_letters_orig: e i j

Wyckoff_letters: e i j


species: Re Ta


species: Fe O

Wyckoff_letters_orig: a d e f g g g g

Wyckoff_letters_orig: g g g g g g g g

Wyckoff_letters: d a


species: Cd Mo

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ta Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a a a

Wyckoff_letters: c c c


species: Ca O


species: Os Y


species: F Zn

species_pp: F Zn


species: Ni O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: a c

Wyckoff_letters: c f


species: Cr V

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Co Rh

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Fe

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Ni


Wyckoff_letters_orig: a a a a b b

Wyckoff_letters: a a a a b b


species: Ag Sc


species: Fe La


species: Ca Li


species: F Ti

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Au Os


species: Bi O

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: F Ni

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: F Xe

species_pp: F Xe

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: O Sr


species: Cd Ta

sg2:
Pnma #62
Imma #74
Imma #74


species: Mn O

sg:
Pbcm #57
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: Mg S


species: Cr Li

sg:
Pnma #62
Pnma #62
Cmmm #65

sg2:
Pnma #62
Pnma #62
Cmmm #65


species: Ge S

Wyckoff_letters_orig: e e


species: Cd Cu

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Ge Se

Wyckoff_letters: e e


species: Mn Ru

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Fe Li

Wyckoff_letters_orig: b c

crystal_class: hexoctahedral

Wyckoff_letters: b c


species: I Mn

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: H La

species_pp: H La

Wyckoff_letters_orig: a m

Wyckoff_letters_orig: c e

Wyckoff_letters: a m

Wyckoff_letters: c e


species: C Y


species: Hg O

species_pp: Hg O


species: Fe O

crystal_class_orig: trigonal-trapezoidal


species: Fe V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mo W


species: Ag Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Mo

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Mg O

crystal_class: trigonal-trapezoidal


sg:
Pmmn #59
Pmmn #59
Pmmn #59

crystal_class: orthorhombic-bipyramidal


species: O Sr


species: Cd Zn


species: O Sc

Wyckoff_letters_orig: e g

Wyckoff_letters: d f


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca Ni

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Er Tl

crystal_class_orig: ditetragonal-dipyramidal


crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a


species: Cu Pd

crystal_class: dihexagonal-dipyramidal


species: O Ti

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e


species: F Fe

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Ir Si

species_pp: Ir Si

Wyckoff_letters_orig: b f


species: Co V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd O

species_pp: Cd O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a a


species: I O

species_pp: I O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Ir N

species_pp: Ir N

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cu K

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Ir

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni O

aflow_prototype_params_list_orig: a b/a c/a x2


species: Mo Zr


species: Nb O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: g g e


species: F Ni

Wyckoff_letters_orig: d e g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e d h


species: Ca I

crystal_class: ditrigonal-scalahedral


species: Li Mn


species: Pb Te

sg:
Pbcn #60
Cmcm #63
Cmcm #63

sg2:
Pbcn #60
Pbcn #60
Cmcm #63


species: Co F


species: Ca Tc

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca K


species: La Te

species_pp: La Te

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Al Li


species: Cu O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I V


species: Ir Ta


species: Cr O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Cd O

Wyckoff_letters_orig: a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m

Wyckoff_letters: a a a a a a a

Wyckoff_site_symmetries: m m m m m m m


species: Ca V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co O

species_pp: Co O

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: K O


species: I Tc


Wyckoff_letters_orig: a a a a a a


species: C K

crystal_class_orig: monoclinic-prismatic

aflow_prototype_params_list_orig: a b/a c/a beta


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O W

crystal_class: orthorhombic-pyramidal


species: I Mn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b


species: Au Sc


species: O Yb

species_pp: O Yb


species: S Sn

species_pp: S Sn

sg:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal


species: Ca Mg


species: Li Zn

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: O Ti


sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Pm Sn

species_pp: Pm Sn


species: Cu Pd


species: Au Mn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Fe Hg


species: Cd W

Wyckoff_letters_orig: c d e


species: Eu Re

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg Si

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Hf O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cs Pb


species: K Li


species: O Pr

species_pp: O Pr


species: Ho S


species: Cr O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Ba Ge

Wyckoff_letters_orig: c h h h h h h i i

Wyckoff_letters: c h h h h h h i i


species: Mg Tb


species: Ca Zn

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca Tc


species: O Ti

crystal_class_orig: diploidal


species: I Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Ti


species: Sn Te

species_pp: Sn Te

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Hg O

crystal_class_orig: orthorhombic-pyramidal


species: Hf Zr

crystal_class_orig: ditrigonal-scalahedral


species: Ca Co


species: Co Li

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Sc Ti


species: Ca O


species: Fe I


species: Ga Pr

crystal_class_orig: hexoctahedral


species: In Sr


species: Ca V

crystal_class_orig: tetragonal-dipyramidal


species: O Sn

species_pp: O Sn


species: Se Zn

species_pp: Se Zn

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c c c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c c c


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Ta

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: Cu Fe

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Mn Mo


species: Mo W


species: Ni W


species: Co Fe


species: Co Ni


species: Co W

crystal_class_orig: dihexagonal-pyramidal


species: Cr Zn

Wyckoff_letters: a c


species: Cu Ni


species: Fe V


species: Mn W


species: Mo Zn


species: Ni Ti


species: Ni Zn


species: V Zn


species: Co Cr


species: Fe W


species: Fe Zn


species: Mn Ni


species: Mn V


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mo Ti

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mo W

crystal_class: diploidal


species: Ti V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: V W

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: W Zn


species: Hg Ho


Wyckoff_letters: c d e


species: Hg K


species: Hg Rb

sg2:
Immm #71
Immm #71
I4/mmm #139


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb


species: Cs Nb


species: Nb Pb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pb Ta

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Rb Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg Li


species: Cl Nb


species: O Pb


species: F Nb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ce O

species_pp: Ce O


species: Sm Zn

crystal_class_orig: ditrigonal-dipyramidal


species: Cr Er

crystal_class_orig: ditetragonal-dipyramidal


species: Dy Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ho Ni


species: Cl Ta


species: Cl Pb

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


species: Cr Dy


species: Cu Dy


species: Dy Er


species: Dy Sm


species: Co Pr

species_pp: Co Pr


species: Er V


species: Fe Ho


species: Ni Sm

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ni Yb


species: Sm V


species: Co I

species_pp: Co I

aflow_prototype_params_list_orig: a b/a c/a alpha beta gamma x2 y2 z2


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a