species: Mn Pm

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Nb Ti

Egap_DOS_type: metal

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: ditrigonal-scalahedral

point_group_type_orig: centrosymmetric

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

Wyckoff_letters_orig: a d

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_type: centrosymmetric

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

Wyckoff_letters: a d


species: La Re

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

Wyckoff_letters_orig: c f

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

Wyckoff_letters: c f


species: Cd V


species: Hg Ni

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC


species: Mn Ru

Bravais_lattice_orig: TET

lattice_variation_orig: TET

lattice_system_orig: tetragonal

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

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: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a


species: Mo Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ta W

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_type_orig: enantiomorphic

point_group_structure_orig: alternating

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

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

point_group_structure: symmetric

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

Wyckoff_letters: c e d


species: Hf Mo

crystal_system_orig: hexagonal

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_system: hexagonal

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Hf Nb

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal

aflow_prototype_params_list_orig: a c/a


species: Nb V

Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

Bravais_lattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Bravais_lattice_lattice_type: BCT

reciprocal_lattice_type: BCT

Wyckoff_letters: c d e


species: Cd Fe

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

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

point_group_Schoenflies: T

point_group_type: enantiomorphic

point_group_structure: alternating

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Re Sc

aflow_prototype_params_list_orig: a c/a x3


species: Rh Zn

aflow_prototype_params_list_relax: a c/a z2


species: Nb Ni


species: Ag V


species: Cr Pt

point_group_structure_orig: symmetric


species: Ag Sc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Pd Zr

Wyckoff_letters_orig: a i

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


species: Re V


species: F V

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: i j

Wyckoff_letters: i i i j j j

Wyckoff_letters: i j


species: Hg V


species: Fe Nb


species: O Zn

species_pp: O Zn

crystal_class_orig: ditetragonal-pyramidal

point_group_type_orig: polar

crystal_class: ditetragonal-pyramidal

point_group_type: polar


species: O Si

species_pp: O Si

crystal_class_orig: monoclinic-sphenoidal

point_group_structure_orig: cyclic

Wyckoff_letters_orig: a b c c c

Wyckoff_letters_orig: c c

crystal_class: monoclinic-sphenoidal

point_group_structure: cyclic

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b c c c

Wyckoff_letters: c c


species: Ru V

crystal_class_orig: diploidal

crystal_class: diploidal


species: O V

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

crystal_class: trigonal-trapezoidal

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: F Mg

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: Ti Zn

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Cu F

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

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

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL


species: Hf Os

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

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

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 d

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

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 d


species: O Sr

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e


species: Cu K


species: Ir O

species_pp: Ir O

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Bi Ti


species: Fe Mn


species: Mg O


Wyckoff_letters_orig: c i

Wyckoff_letters: c i

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


species: Co F

species_pp: Co F

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: Dy Se


species: As Cu

Wyckoff_letters_orig: a c

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Wyckoff_letters: a c


species: Mg Te


Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

crystal_class_orig: orthorhombic-pyramidal

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

crystal_class: orthorhombic-pyramidal

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: O Y


species: O Pt

species_pp: O Pt

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: O Tc


species: Cr Mg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ca V


species: Cu Yb

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

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


species: K O

crystal_class_orig: ditrigonal-scalahedral


species: K Mg

crystal_class_orig: hexoctahedral


species: Sc W

crystal_class: ditrigonal-scalahedral


species: Co Te

species_pp: Co Te


species: As Zr

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Mg Si

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: b d i i i i i

Wyckoff_letters_orig: i i i i

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: d a i i i i i

Wyckoff_letters: i i i i


species: Cu Ta

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: F Xe

species_pp: F Xe

crystal_class_orig: ditetragonal-dipyramidal


species: Mo Tc


species: Hg Se

species_pp: Hg Se


species: Fe H

crystal_class: hexoctahedral


species: O Sn

species_pp: O Sn

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Cu Zr

crystal_class: ditetragonal-dipyramidal


species: Cr Mn


species: Li V


species: Li O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m

Wyckoff_site_symmetries: m m m


species: Ca Tc

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Mn Ni

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Hg O

species_pp: Hg O

aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a b/a c/a beta y2


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: F Mg


species: Re Ru


species: Co K

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K O


species: Cd Ti


species: Bi Ti


species: Fe Mg


species: Ca V

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Fe Li

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ca Zn


species: K S


species: Ba Pt


species: Ag Mn

Wyckoff_letters: d i


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Li Ti


species: Pt V

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Pb Te

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Pt Sn

species_pp: Pt Sn

sg:
Ccce #68
Ccce #68
Ccce #68

sg2:
Ccce #68
Ccce #68
Ccce #68


species: Nb Si

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Cmcm #63
Cmcm #63

aflow_prototype_params_list_relax: a b/a c/a y2


species: Ag Ru


species: Ge Te

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd V


species: O Sc

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

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


species: Cd Os

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: S Zn

species_pp: S Zn

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: c i i

Wyckoff_site_symmetries: 2/m m m


species: Bi Eu

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Li Tc


species: Cd Sc


species: Mn O


species: Cr Sc


species: O Tb

Wyckoff_letters_orig: a b b

crystal_class: diploidal


species: Ag Cd

species_pp: Ag Cd


species: Cr K


species: Cd Cs


species: Cu O


species: I Ti

crystal_class: trigonal-trapezoidal


species: Fe Hg

aflow_prototype_params_list_orig: a b/a c/a x2


species: Sc Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg La

species_pp: Hg La


species: Cl In

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ge O


species: O Pb


species: I Nb

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Hf O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: F K


species: Ba Cl


species: Ir Ti


species: Mg O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hf Sn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca O

Wyckoff_letters_orig: b c e e g

Wyckoff_letters: b c e e g


species: B N

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I V


species: Nb Ni

Wyckoff_letters_orig: a i


species: Au Ta


species: Mn Mo


species: O Si

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe Hf


species: F Mg


species: Li Mg

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mg Se


species: Ca Zn


species: Co O

species_pp: Co O


species: Ag Ti


species: Rh Zr


species: Hg Os

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: F Fe


species: Au Br

species_pp: Au Br


species: K Li

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: I Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: a h

aflow_prototype_params_list_relax: a c/a x3


species: Cs O


species: K Pb


species: Li Pb


species: Co Cr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Fe

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co Ti


species: Co V


species: Cr Ni

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr V


species: Cr W


species: Cu Mo


species: Fe Ti

Wyckoff_letters: c e d


species: Fe W

Wyckoff_letters: c f


species: W Zn


species: Co Mn

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: Co Zn

species_pp: Co Zn


species: Cu Fe


species: Cu Mn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Fe V


species: Mn Mo

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn W

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: a b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

Wyckoff_letters: a b


species: Mo Zn

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Ni Zn


species: Ti W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ti Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: F Pb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cl Pb

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Hg Ho


species: Hg K


species: Hg S

species_pp: Hg S


species: Ca Cs


species: Ca Nb


species: Cs K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: K Nb


species: K Rb


species: Li Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg Rb


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: F Ta

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ce O

species_pp: Ce O


species: O Yb

species_pp: O Yb

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: c a


species: Ce Cu

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Cr Nd


species: Eu Zn

species_pp: Eu Zn


species: Gd Zn

species_pp: Gd Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Yb Zn

species_pp: Yb Zn


species: Ce Co

species_pp: Ce Co

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: Ho Mn

Wyckoff_letters_orig: a c


species: F Pb

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b

crystal_class: trigonal-pyramidal

Wyckoff_letters: d d

Wyckoff_letters: a b c


species: O Pb

sg:
Pnma #62
Immm #71
Immm #71

sg2:
Pnma #62
Pnma #62
Immm #71

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal


species: Dy Yb


species: Cs Li


species: Ce V


species: Co Gd

species_pp: Co Gd


species: Co Pr

species_pp: Co Pr

Wyckoff_letters: a c


species: Co Tb


species: Dy Fe


species: Dy V


species: Er Yb


species: Mn Nd


species: Ti Yb


species: Ga I

Egap_DOS_type: insulator

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hg I

species_pp: Hg I

crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a


species: I Ni

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: Ag I

species_pp: Ag I

crystal_class: dihexagonal-pyramidal


species: Cr I

Egap_DOS_type: half-metal

crystal_class_orig: trigonal-trapezoidal


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: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Au Zn

species_pp: Au Zn

Wyckoff_letters_orig: a d


species: Bi Cs


species: Nb Y

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Sc

crystal_class: ditrigonal-scalahedral


species: Cu Ir


species: Cu Tc


species: N Zr

Wyckoff_letters_orig: a g h

Wyckoff_letters_orig: i j

Wyckoff_letters: a g h

Wyckoff_letters: i j


species: Au Fe

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cd Zr


species: Hf W


species: Pd Ti


species: Cd Sc

Wyckoff_letters: c c


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pr Zn

species_pp: Pr Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cu Hf


species: Ir La

species_pp: Ir La


species: K O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: a i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Mo Zr


species: Os Pd

Wyckoff_letters_orig: g f

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Al O

species_pp: Al O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Au Tc


species: La Nb


species: Os Zr


species: Fe Sc


species: Nb Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Sr

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Cd Fe


species: Ca I

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


species: Cr I

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


species: Fe I

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


sg:
Cmce #64
Cmce #64
P4/nmm #129

sg2:
Cmce #64
Cmce #64
Cmme #67


species: I Ni

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Be I

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: I Si

species_pp: I Si

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Zr


species: Cd I

species_pp: Cd I

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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

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


Wyckoff_letters: c c


species: Cu I

crystal_class: hexoctahedral


species: I Zn

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


species: Cd Nb

Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: d i


species: Ir Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Ir

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Ta

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ge N


species: Ni Pt


species: Br La

species_pp: Br La

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Hf Ti

crystal_class: dihexagonal-dipyramidal


species: Ni Ru

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Mn Nb


species: Au Ni


species: Cd Cs

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Co Sc

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Cr Hf


species: Hf Zn

crystal_class_orig: diploidal

crystal_class: diploidal


species: Hf Mo


species: Hf Ta


species: Hf Zr


species: Ta W

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: Cr Tc

Wyckoff_letters_orig: c c


species: Hf V


species: Hf W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb Ta


species: Nb V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb Zr


species: Ta Zr


species: V Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: W Zr


species: Cd Ni


species: Os Rh


species: Ag Rh


species: Ag Mo


species: Hf O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Ti

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

Wyckoff_letters_orig: a l

aflow_prototype_params_list_orig: a b/a c/a x3


species: Hf Y


species: Nb Re


species: Co Sm


species: Ru W

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Sn Sr


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e


species: O Zr

Wyckoff_letters: g g


species: F Ti

Wyckoff_letters: c c


species: Cr O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c c c d e f f f

Wyckoff_letters_orig: f f f f f f f f

crystal_class: rhombohedral

Wyckoff_letters: a b c c c d e f f f

Wyckoff_letters: f f f f f f f f


species: Mn Ru

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mn O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f h


species: Ca Ti


species: Ca Mg


species: B Mo

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Li Tc


species: Cl O

species_pp: Cl O


species: Pb Se


species: Rh V


species: W Zr


species: Nb O


species: F Ni


species: Y Zn

crystal_class: ditrigonal-dipyramidal


species: S Sn

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

crystal_class_orig: orthorhombic-bipyramidal


species: Ca Cu


species: Cr K


species: Co O

species_pp: Co O


species: Ti Zn


species: Li V

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l

aflow_prototype_params_list_relax: a b/a c/a x3


species: Bi O

aflow_prototype_params_list_relax: a b/a c/a beta


species: Hf Se

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Fe I

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: Li Mg

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mg O

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


species: Mo W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Br F

species_pp: Br F

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: O Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c


species: Sc Y


species: Ca Zn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Cr Li


species: Fe K

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


species: Co Mo


species: Al H

species_pp: Al H

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: In O


species: Au Pd


species: Ge O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Li O


species: Mn Tc


species: Ca Fe

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b e


species: Cl H

species_pp: Cl H


species: Mg S


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Os

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: B P


species: In Sr


species: I Tl


species: Ir Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu Mg


species: F Ni

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f g h

Wyckoff_letters: c f g h


species: O Ti

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m m m


species: Ca Tc


species: Cr Rh

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ca Mg


species: O Zr


species: F V

Wyckoff_letters_orig: c d d d d

Wyckoff_letters_orig: a c d

Wyckoff_letters: c d d d d

Wyckoff_letters: a c d


species: Li O

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Mg O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a b

Wyckoff_letters: a a b c e


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Mn

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: O Sn

species_pp: O Sn


crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a b c


species: Cu K


species: Fe Mg


species: Cr Mg


species: K Mg

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ho Sb


species: F Ti

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: Au Mn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ni 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 Li

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Fe K


species: Ta Zn

Wyckoff_letters_orig: a c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a c


species: Co Fe

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Eu O

species_pp: Eu O


species: Li Pd

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Li


species: Ni S


species: O W

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a


species: O Ti

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Zr

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


species: Cd Ta

crystal_class: hexoctahedral


species: Ca Mg

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Ir Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Mg

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i


species: Au F

species_pp: Au F

Wyckoff_letters_orig: f f f f

Wyckoff_letters: a b

Wyckoff_letters: f f f f


species: O Zn

species_pp: O Zn


species: La Sc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Li Mn


species: N Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd O

species_pp: Cd O

crystal_class_orig: ditrigonal-scalahedral


species: Cr Sc

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Hf Y

crystal_class_orig: hexoctahedral


species: O V


species: Co O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: d a


species: Cr Pt


species: O Os


species: Co Li


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: F Zn

species_pp: F Zn


species: K Mg

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ni O

crystal_class_orig: ditetragonal-dipyramidal


species: I Ti


species: O Zr


species: O Rh


crystal_class_orig: dihexagonal-pyramidal


species: Ca O

crystal_class_orig: dihexagonal-dipyramidal


species: I Nb


species: Tc Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: La Tc

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hf Os


species: Hf Ru

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: F Ge

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

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


species: Fe Se

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: K Zn

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: Mo Ni

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Co Li

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo O

crystal_class_orig: monoclinic-prismatic


species: O Sc


species: Ni V


species: F Fe

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Cu O


species: O Si

species_pp: O Si

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b c d

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c b d

Wyckoff_letters: a a


species: Ho O

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: Cd Fe


species: I Ti


species: Cu Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Mo


species: V Zn


species: Co Ti


species: Cr Mo


species: Cr Ni

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Cu Mo


species: Cu Zn


species: Mo Ti


species: Ti V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ti W


species: Co Cr


species: Co Cu


species: Co Fe

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


crystal_class_orig: diploidal

crystal_class: diploidal


species: Co V


species: Cr Zn

crystal_class: ditetragonal-dipyramidal


species: Cu Fe


species: Cu V

crystal_class_orig: orthorhombic-bipyramidal


species: Cu W


species: Fe Ni


species: Fe Ti

sg2:
Pnma #62
Pnma #62
P4/mbm #127

Wyckoff_letters_orig: c d

Wyckoff_letters: c g


species: Ni Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ti Zn

sg:
Pnnm #58
Immm #71
I4/mmm #139

sg2:
Pnnm #58
Pnnm #58
I4/mmm #139


species: Mo W

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: a b d

Wyckoff_letters: a c

Wyckoff_letters: a b d


species: Cl Mg

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

Wyckoff_letters_orig: b b c c c c

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

Wyckoff_letters: b b c c c c


species: Cl Nb

Wyckoff_letters: c c


species: F Ta

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: e c


species: Hg Ho


species: Hg V


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F Nb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca Ta

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: K Rb


species: Li Ta


species: Mg Ta


species: Rb Ta


species: Cl Rb


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: f g i

Wyckoff_letters: f g i


species: Tb Zn


species: Mn Zn


species: Co Cu


species: Ce Cu


species: Co Eu

species_pp: Co Eu


species: Co Tb


species: Cr Tb


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Au Fe


species: Au Zn

species_pp: Au Zn


species: Cd Zr


species: Co Re


species: Cu Os


species: Nb Ni

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

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b f


species: Os Rh


species: Os Ru

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ta W


species: Cd W


species: Sm Yb

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ag Cu


species: Au Ru

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Cl Pb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: b c

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i


species: La Ni

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ru W

crystal_class: ditrigonal-scalahedral


species: Ag Bi

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg Zr


species: Rh V

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd Cu

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb Zr

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Sc Zn


species: Au Zn


species: Cr Ir

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: V Y


species: Hg Mn


species: Ir Y

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ca I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

crystal_class: trigonal-trapezoidal

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Cr I

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m m m


crystal_class: hexoctahedral


species: Fe I

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I K

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


Wyckoff_letters_orig: a c

Wyckoff_letters: a f


species: I Li

crystal_class_orig: ditrigonal-scalahedral


species: I Mg


crystal_class_orig: hexoctahedral


species: I Si

species_pp: I Si

sg:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: b b


species: Hg I

Wyckoff_letters: a c


Wyckoff_letters_orig: b c

Wyckoff_letters_orig: m n

Wyckoff_letters: b c

Wyckoff_letters: m n


species: I Pb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Hg Pd

Wyckoff_letters: b l


species: Cu I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Al I

species_pp: Al I

Wyckoff_letters_orig: i i i


species: Ga I

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-dipyramidal


species: I Sr


species: Cu Y


species: I V

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a


species: Mo Pd

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Pd Sc


species: Ag Ir

species_pp: Ag Ir

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Ag Os

crystal_class_orig: dihexagonal-dipyramidal


species: Cd Cs


species: Cr Ta


species: La Re

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Pd Tc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ag Bi

Wyckoff_letters_orig: b l


species: Au Fe

crystal_class_orig: ditetragonal-dipyramidal


species: Co Nb


species: Cu Pd

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Au Hg

species_pp: Au Hg


species: Ba Sb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Pt


species: Cu Nb


species: F Rh


species: Mn Nb

Wyckoff_letters: b h


species: Mn Rh


species: Ta Tc

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Co Ru


species: Hf Mo


species: Mo Ta


species: Hf Ti


species: Nb W


species: Re Y

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: V Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Au Cr

crystal_class_orig: tetragonal-dipyramidal


species: Au Ni


species: Pd Ru


species: Nb O

Wyckoff_letters_orig: d c e

Wyckoff_letters: c d e


species: Pd Se

crystal_class_orig: orthorhombic-sphenoidal


species: Cr Gd


species: Li Zn

Wyckoff_letters_orig: a e


species: Ce Dy


species: Nb Os


species: Ca Zn


species: Ca Co

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mg O

Wyckoff_letters: a b


species: Ca Mn


species: O Ti

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a a b c e


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: V W


species: Se Sn

species_pp: Se Sn


species: Ca Tc


species: Al Sr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f


species: Cu Mg

Wyckoff_letters_orig: c d e


species: Sb Sm

species_pp: Sb Sm


species: Ca K


species: H Li

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters: i i i i i i i i i


species: Fe Mg

Wyckoff_letters_orig: a h


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr K


species: O Ta


species: Ni O


species: Au Th


species: O Sn

species_pp: O Sn


species: Mn Zn

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h


species: I Mg


species: Fe W


species: Cs O


species: Ni Ru


species: Ag Cr


species: Cu Mn


species: O Zn

species_pp: O Zn

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Hf Li

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: Fe K


sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Ir La

species_pp: Ir La

Wyckoff_letters_orig: a c c d h

Wyckoff_letters: a c c d h


species: Cd Zn

species_pp: Cd Zn

crystal_class_orig: orthorhombic-bipyramidal


species: Cr O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: F In


species: Ru Zr

Wyckoff_letters_orig: d e


species: Pr Sn

species_pp: Pr Sn


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: O Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b c e e g

Wyckoff_letters: b c e e g


species: O Sr


species: Te Zn

species_pp: Te Zn


species: O W

Wyckoff_letters_orig: a a a a a

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b b


species: Ca F


species: Cr F


species: K Mg

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Bi O

Wyckoff_letters_orig: c d

Wyckoff_letters: b d


species: Ag Co

species_pp: Ag Co


species: Fe O

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e


species: Ho Sb

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: Ag Ba

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Ir Zr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: As Ca

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: e g h h i

Wyckoff_letters_orig: f g g h i i

Wyckoff_letters: e g h h i

Wyckoff_letters: f g g h i i


species: O Zn

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: a b

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h k

Wyckoff_letters: a b


species: Mg Te

Wyckoff_letters_orig: a f h


species: Ga P


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: a b d

Wyckoff_letters: a c

Wyckoff_letters: a b d


species: I Nb

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

Wyckoff_letters_orig: c c c c c b b a

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c c b b a


species: O V

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i i i i

Wyckoff_letters: i i i i


crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: e f


species: Hf Zr


sg:
Pnma #62
Imma #74
Imma #74

sg2:
Pnma #62
Imma #74
Imma #74

crystal_class: orthorhombic-bipyramidal


species: Ni Ti


species: In Ru

Wyckoff_letters_orig: e i

Wyckoff_letters: c j


species: Cu K

crystal_class_orig: hexoctahedral


species: Ca Li


species: Sc Zn


species: Ni O

crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a a a a


species: B Ta

Wyckoff_letters_orig: d e f

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: d e f


species: O Zr

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: F Mn

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Co Zr


species: Rh Sb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Tc

crystal_class_orig: ditetragonal-dipyramidal


species: P Sc

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: Mn O

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h h

Wyckoff_letters: h h h


species: K O


species: Li Tc


species: 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

Wyckoff_site_symmetries_orig: m m m m m m m m

Wyckoff_letters: a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m


species: O Sr

crystal_class: ditrigonal-scalahedral


species: O W

Wyckoff_letters_orig: a e g g g g g g g g

Wyckoff_letters_orig: f g g g g

Wyckoff_letters: a e g g g g g g g g

Wyckoff_letters: f g g g g


species: O Rh

Wyckoff_letters_orig: i i


species: Ca Co

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Fe H

Wyckoff_letters_orig: a e f f

Wyckoff_letters: c e f f


species: La Sc


species: Ce Pt

species_pp: Ce Pt

crystal_class: hexoctahedral


species: O Sn

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57


species: I Tc


sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Hg Rh


species: Li O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a


species: Fe Sc


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Ir O

species_pp: Ir O


species: Ca Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pd Th

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b f

crystal_class: rhombohedral

Wyckoff_letters: a b f


species: O Pd


species: F Ti

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: O Zn

Wyckoff_letters_orig: a b


species: Ge Mn


species: Ca Cr

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

Wyckoff_letters_orig: a f


species: O Si

species_pp: O Si

Wyckoff_letters_orig: f i k

Wyckoff_letters: f i k


species: La Rh

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ag Os

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ir Mo


species: O Os


species: Co V


species: N Ta

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c c c c


species: I Tc

Wyckoff_letters_orig: c c


species: Li Mg


species: O W


species: H Sc

Wyckoff_letters: a f


species: Ni O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: O Tb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: O V

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a

Wyckoff_letters: a a


species: Co Mg

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Re


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

crystal_class_orig: orthorhombic-bipyramidal


species: O Sn

crystal_class: hexagonal-dipyramidal


species: O Yb

species_pp: O Yb


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: P Ru

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Sc

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: c d d

Wyckoff_letters: d d d d d d

Wyckoff_letters: c d d


species: O Ti

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a h

Wyckoff_letters: h h

Wyckoff_letters: a h


species: Nb O


species: Cl Ta

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Zn

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I Mn

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: I V

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

Wyckoff_letters: g h n

Wyckoff_letters: a l


species: Cr Ni


species: O W

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: e e

Wyckoff_letters: e e f

Wyckoff_letters: e e


species: K O


species: Ca Cr

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: O Sr

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Hg Ir

species_pp: Hg Ir


species: Ca Co


species: Ir Pd


species: Cu K


species: Co Mn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Te Zn

crystal_class_orig: trigonal-trapezoidal


species: Ca Mg


species: Co O

species_pp: Co O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: c c

Wyckoff_letters: b c

Wyckoff_letters: c c


species: Mo Nb


species: O Ta

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Pb Rb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Cu


species: Cr Cu

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Zn


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Ti


species: Cr Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Zn


species: Fe Mn


species: Fe Mo


species: Mn V


species: V Zn


species: W Zn

Wyckoff_letters: a i


species: Co Cr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co Mn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co Mo


species: Co Ni

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Co V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Zn


species: Cr Cu


species: Cu Mo


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mo Ni

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Mo V

crystal_class_orig: hexoctahedral


species: Ni Zn

crystal_class_orig: ditrigonal-scalahedral


species: Ti Zn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: F Pb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: F Nb

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: Hg Ho


species: Hg K

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Li


species: Hg Mg

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Yb

species_pp: Hg Yb


species: Cl Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Nb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca Ta


species: Cs K


species: K Rb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Pb

crystal_class_orig: tetrahedral


species: Rb Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


Wyckoff_letters_orig: a a


species: Cl Mg


species: O Pb

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: Er O


species: O Sm

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: b a


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: f i l

Wyckoff_letters: f i l


species: Cr Ho


species: O Yb


species: Er Ho


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: a c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c


species: Cl Ta

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ce Cr


species: Co Mo


species: Ce V


species: Cr Pm

crystal_class: dihexagonal-dipyramidal


species: Dy Nd


species: Er Gd


species: Eu Ni


species: Gd Tb


species: Nd V


species: Pm V


species: Sm Zn

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Ag I

species_pp: Ag I


species: Co I

species_pp: Co I


species: Cr I

Wyckoff_letters: a a


species: Ga I

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: I Ni


species: I Si

species_pp: I Si

crystal_class_orig: diploidal

crystal_class: diploidal


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


species: Ag V


species: Cd Zr

crystal_class: ditetragonal-dipyramidal


species: Co Hg

species_pp: Co Hg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Os


species: Cu Re

Wyckoff_letters_orig: a e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e


species: Hg Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mo Nb


species: Sc Zr


species: Au Pd


species: Cu Eu


species: Fe Nb


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ru Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ta W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Ta


species: Cd Rh

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Mo Y


species: Ni Zr

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Ru Ta


species: Ti Zr


species: Mn Re

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Tc Y

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr I

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: d i

Wyckoff_site_symmetries: 2/m m m m


species: Fe I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Li


species: I Mg

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: I Ni

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: I Zr

Wyckoff_letters_orig: a b


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Ag I


species: Cd I

species_pp: Cd I


species: I In


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Pb


Wyckoff_letters_orig: g h j k n

Wyckoff_letters_orig: g i

Wyckoff_letters: g h j k n

Wyckoff_letters: g i


species: Hg La

species_pp: Hg La


species: Ir Nb


species: Pd Sc


species: I Zn

species_pp: I Zn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i


species: Ga I

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cs I


species: Ru Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Fe Os

sg2:
Pnma #62
Pnma #62
P4/mmm #123


species: Nb W


species: Ni Zr


species: Nd Zn

species_pp: Nd Zn


species: La Sc


species: Au Y


species: Nb Os


species: Ag Mo

crystal_class_orig: dihexagonal-dipyramidal


species: Mn Ni

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Nb Ru

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

Wyckoff_letters: a h


species: O Si

species_pp: O Si

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

crystal_class: ditrigonal-pyramidal

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


species: Fe I

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Hf Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo Zr


species: Nb Ta

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb V


species: Ta Zr

Wyckoff_letters_orig: a h


species: Re Ta


species: Ag W

crystal_class: ditrigonal-scalahedral


species: O Sc

sg:
Pc #7
Pc #7
Pc #7

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

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a a a a a a a a a a a a

Wyckoff_letters: a a a a a a a a a a a a


species: Ag Mn


species: Fe Tc


species: Fe Nb

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: F V

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: g g g g g g g g g g g g

Wyckoff_letters_orig: c c c c d d d d d d d d

crystal_class: rhombohedral

Wyckoff_letters: g g g g g g g g g g g g

Wyckoff_letters: c c c c d d d d d d d d


species: Pd Se

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: As O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e


species: Ir Mo


species: La Tc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Re V


species: Nb Os

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ni O


species: Li Ni

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: F Zn

species_pp: F Zn


species: Fe Mg

crystal_class: hexoctahedral


species: Mg Pt


species: Bi Se

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Pd Re

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sc

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O V

Wyckoff_letters_orig: d d d

Wyckoff_letters_orig: c d

Wyckoff_letters: d d d

Wyckoff_letters: c d


species: Ca Mn


species: Mo O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ca Cu


species: Sc Zr

Wyckoff_letters: c d e


species: O Ta

Wyckoff_letters: a e e


species: Cr O

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: e e f f

Wyckoff_letters: e e f

Wyckoff_letters: e e f f


species: Fe Y


species: O Ti

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: La Pt

species_pp: La Pt


species: Ni O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: I V


species: Ba Pt

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: f g j

Wyckoff_letters: f g j


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: e e


species: In Te

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f f f f f f f

Wyckoff_letters: f f f

Wyckoff_letters: e f f f f f f f


species: Co K

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Pt Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Mg


species: Cr Nb


species: Ca I


species: O W

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Ca Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr K


species: Cr F


species: Mg O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mn O

crystal_class: orthorhombic-sphenoidal


species: Mn V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Sc

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: O Si


species: Ge Te

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: e e


species: Mn Ti


species: F Mg


species: Fe O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a i

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a i


species: Hf Pd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Mn

crystal_class_orig: ditrigonal-pyramidal


species: Cr Mg

Wyckoff_letters: a c


species: O Sr


species: Rh Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Sb

species_pp: O Sb

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


species: Ga Ni

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Eu O

species_pp: Eu O


species: K Li


species: Ca I

crystal_class_orig: ditrigonal-scalahedral


species: Ir O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: e e


species: O Zr


species: O Pd

sg:
Pnma #62
Cmcm #63
Cmcm #63


species: O Tc

Wyckoff_letters_orig: a b


Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: I Mn


Wyckoff_letters_orig: a d

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a d


species: Ca Mn

crystal_class_orig: hexoctahedral


species: Mo Ni

crystal_class_orig: ditetragonal-dipyramidal


species: F Mg

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Os Pt


species: Ni Pd


species: Ca Cu


species: O Ti

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: a k

Wyckoff_letters: k l

Wyckoff_letters: a k


Wyckoff_letters_orig: h i

Wyckoff_letters_orig: g i

Wyckoff_letters: g i

Wyckoff_letters: h i


species: B Sm

Wyckoff_letters_orig: e h j

Wyckoff_letters: e h j


species: Hf Te

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ir Mo


species: O Sn

species_pp: O Sn

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a a b b

Wyckoff_site_symmetries_orig: m m m m 1 1

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b b c c

Wyckoff_letters: a a b b

Wyckoff_site_symmetries: m m m m 1 1


species: Cr Nb


species: Ge Se

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F V

Wyckoff_letters_orig: c c c c d d d d d d

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c c c d d d d d d

Wyckoff_letters: c c d


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: d i k

Wyckoff_letters: a c

Wyckoff_letters: d i k


species: I Li


species: Fe O


species: Mn O

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Ca Fe


species: Er S

Wyckoff_letters_orig: c c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c c


species: Al Ta


species: O Pt

species_pp: O Pt


species: Li Ni

crystal_class: ditetragonal-dipyramidal


species: Zn Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Mn

sg:
Pmna #53
Pmma #51
Pmma #51

sg2:
Pmna #53
Pmna #53
Pmma #51

Wyckoff_letters_orig: e h

Wyckoff_letters: a f


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Mo


species: Cr Zr


species: F K

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: Ca Co


species: Cu Si

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: Cu O

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cu Mo

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Ni


species: Cd Ti


species: F V

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a


species: I N

species_pp: I N

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c c c c c


species: Cu I

crystal_class: orthorhombic-pyramidal


species: O V

Wyckoff_letters_orig: a b

crystal_class: ditrigonal-scalahedral


species: Ag Ir

species_pp: Ag Ir


species: Ba S


species: Cr F


species: Ru V

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Nb Sc


species: S Sn

species_pp: S Sn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Co K

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: I Nb

Wyckoff_letters_orig: c d d d d d

Wyckoff_letters_orig: c c d

Wyckoff_letters: c d d d d d

Wyckoff_letters: c c d


species: Nb O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Al W

crystal_class_orig: diploidal

crystal_class: diploidal


species: O Zn

species_pp: O Zn

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Bi Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Al Ni


sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a a a

Wyckoff_letters: c c c


species: Ca Ti

Wyckoff_letters: a b


species: Gd Sn

species_pp: Gd Sn


species: Te Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ge Ta

Wyckoff_letters_orig: b k

Wyckoff_letters: b k


species: O Sc

Wyckoff_letters_orig: d f

crystal_class: tetrahedral

Wyckoff_letters: d f


species: Li Mn

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: O Zr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mo Pt

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Zn Zr


species: Re Ti

crystal_class_orig: ditrigonal-dipyramidal


species: Ni Zr


species: Pb Te

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal


species: F Zn

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b


species: O Ta

Wyckoff_letters_orig: h h h

Wyckoff_letters_orig: c e h

Wyckoff_letters: h h h

Wyckoff_letters: c e h


species: Mo Pd


species: Re Ta


crystal_class_orig: ditrigonal-scalahedral


species: Ir O

crystal_class: hexoctahedral


species: Cr F


species: Bi O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: I V

crystal_class_orig: hexoctahedral


species: Cu Li

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: O Sr

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: c e


species: F Ti

Wyckoff_letters_orig: e f


species: Ag Co

species_pp: Ag Co

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: a c


species: Cu Mg


species: Fe O

Wyckoff_letters: e a

Wyckoff_letters: g l


species: Fe Ir

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: F Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: a c


species: Cd Ti

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O Ru

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Au Tb

Wyckoff_letters: a e


species: Au Cd

species_pp: Au Cd


species: K Mg


species: Ca Pb

crystal_class_orig: ditetragonal-dipyramidal


species: Mg Nb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: O Rb


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co Mo


species: Co Zn

species_pp: Co Zn


species: Mn Zn


species: Mo Zn


species: Cr Mn

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Cu Ni


species: Cu Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Mn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe Ni

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Mn V


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr Cu

Wyckoff_letters: a i


species: Cr Fe


species: Cr Ti


species: Cu Mn


species: Fe W

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mo Ni


species: Mo V


species: Ni Ti


species: Ni Zn

sg2:
Pmma #51
Pmma #51
Pmma #51


species: V Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hg Ho

Wyckoff_letters_orig: a c


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Li


species: Hg Mg


species: Hg Rb


species: Hg Te

species_pp: Hg Te


species: Hg Y


species: Ca Nb


sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e


species: Cs Nb


species: K Rb


species: Li Nb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mg Rb

Wyckoff_letters: a c


species: O Sm

crystal_class_orig: ditrigonal-pyramidal


species: O Yb

species_pp: O Yb


species: Ti Yb


species: Dy Ti


species: Ce Mn


species: Cl Ta


species: Cr Eu


species: Co Gd

species_pp: Co Gd


species: Dy Ni


species: Dy Zn

Wyckoff_letters_orig: b d


species: Mn Yb


species: Pr Ti


species: Sm V


species: Cd I

species_pp: Cd I


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cd Mn

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Pd Rh


species: Hf Tc


species: Hf Zr


species: Os Ti


species: Pd Ti

Wyckoff_letters_orig: c d


species: Au Zn

species_pp: Au Zn


species: Hf W


species: Mn Nb


species: Au Zr

Wyckoff_letters: b d


species: Hg Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Sc


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd Rh


species: Ir Ru


species: Ag Cd

species_pp: Ag Cd

Wyckoff_letters: a e


species: Hf Ni

Wyckoff_letters: c d


species: Tc V


species: W Y


species: Ca I

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: d i


Wyckoff_letters: a b


species: Co I

species_pp: Co I

Wyckoff_letters_orig: n m


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: I K

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Be I

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: I Zr

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Cd I


species: I In

Wyckoff_letters_orig: a c


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b

Wyckoff_letters: c c


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ba I

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: Hg I


species: Cd La

species_pp: Cd La

Wyckoff_letters: a c


species: La Tc

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Cu I

crystal_class: hexagonal-trapezoidal


species: Al I

species_pp: Al I


species: Au Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: B S


species: Hg Mn

crystal_class: dihexagonal-dipyramidal


species: Au Hg

species_pp: Au Hg

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ho Mn


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg Pd

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ag Cd


species: Fe Ir


species: Fe Os


species: Os Re

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i


species: Rh Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Nb

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: Pd V

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Cr Hf


species: Cu Hg


species: Ir Ni

crystal_class_orig: dihexagonal-dipyramidal


species: Pt Re


species: Cu Nb


species: Ir Mo

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ni Tc


species: Cd Cu


species: Hf Mo


species: Hf Hg

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo Nb


species: Nb Ta


species: Ta V


species: Cu Os


species: Os Re


species: Os Ru


species: Sc Tc


species: Cr Os


species: Fe Hf


species: Hf P


species: Hf O

crystal_class_orig: tetragonal-trapezoidal


species: Gd Pb


species: Cd Rh


species: Re Zn


species: O Yb

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Fe Ta


species: Li Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i


species: Pb Te

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mn Sc


species: Rh V


species: Os Si


species: O Rh


species: Br W


species: Li Tc


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: e h

Wyckoff_letters: a f


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Cl Sb

species_pp: Cl Sb

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Ca Li


species: Cs Pb


species: Mo S

Wyckoff_letters_orig: a a

crystal_class: ditrigonal-scalahedral


species: Pd Zr


species: O Tl

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: O V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Er Ga

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ni Y


species: Cd Re


species: O Sr

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


species: O Zn

species_pp: O Zn

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ge Te


species: Li V


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a b


species: O Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: As Nb


species: O Pd

crystal_class: diploidal


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Co


species: Co Mg

Wyckoff_letters: c d


species: Li O

crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a


species: Ca Fe


species: Tc Y


species: Ni O


species: Ca Mg


species: Pb S

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: V Zn


species: Fe K


species: C Hf

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca Sn


species: Li Ni

crystal_class_orig: ditrigonal-dipyramidal


species: O Ta

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i


species: Hg Rh

sg:
Pnma #62
Pnma #62
Pnma #62


species: F Mn

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


crystal_class_orig: diploidal


species: Nb Ta

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ba N


species: O Sr

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Cu O


species: I Zn

species_pp: I Zn


crystal_class_orig: ditrigonal-scalahedral


species: Er O


species: Cd F

sg:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: O W


species: Cd O

species_pp: Cd O

sg2:
Pbca #61
Pbca #61
Pbca #61


species: F Hf

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal


species: Mn Ti

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Mn Ru


species: Cr F

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: I Nb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ag Re

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: I V

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: K Li


species: Cu K

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Pt Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ir Zn

species_pp: Ir Zn


species: Fe Mg


species: Co Mg


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au Co

species_pp: Au Co


species: Ce P

species_pp: Ce P

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: F Mg

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a c b


species: Cu Mg


species: Rh Zr

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Li Mg


species: K O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe Li


species: Cr Hf

crystal_class_orig: orthorhombic-bipyramidal


species: Ag Ni


species: Cr Tc

crystal_class_orig: dihexagonal-dipyramidal


species: Cu O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hf Mn


species: Dy Ge

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ni O

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters: c d d

Wyckoff_letters: d d d d d d


species: Ca O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: d i


species: Ge Se

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: c b e m

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a beta x6 z6


species: Cd O

Wyckoff_letters_orig: i i i

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: Pb Se


species: I Ta

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b f i

Wyckoff_letters: a d j


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: a b


species: Fe O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: K Li

sg:
Pmma #51
Pmma #51
Pmma #51


species: Os W

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: O Zr


species: Co O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Cu

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ce S

species_pp: Ce S

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr F

Wyckoff_letters_orig: g j

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters: g j

Wyckoff_letters: i i i j j j


species: Mn O

aflow_prototype_params_list_relax: a c/a


species: Cu K

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O V


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Si

species_pp: O Si

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Tc

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: Al Mo

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b b b b b

Wyckoff_letters_orig: a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b b b b b

Wyckoff_letters: a b


species: I Ti

Wyckoff_letters_orig: a b c c c c


species: O W

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Cd Zr


species: K Mg

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Pd


species: Al Ce

species_pp: Al Ce

crystal_class_orig: monoclinic-prismatic

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: e f

Wyckoff_letters: e k f k


Wyckoff_letters_orig: e e f f

Wyckoff_letters_orig: e e f

Wyckoff_letters: e e f f

Wyckoff_letters: e e f


species: Al Cr

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b b b c

Wyckoff_letters_orig: a b b b

Wyckoff_site_symmetries_orig: 3m .m .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b b b c

Wyckoff_letters: a b b b

Wyckoff_site_symmetries: 3m .m .m .m


species: Ni O

sg:
Cmce #64
Pmma #51
P4/mmm #123

sg2:
Cmce #64
Cmce #64
Pmma #51


species: Ca Mn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sc

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a


species: Ni Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Tc Zn


species: Bi Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Pb Rb


species: Mg Pb

crystal_class: dihexagonal-dipyramidal

aflow_prototype_params_list_relax: a c/a z2


species: Mn Zn


species: Co Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co W

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Cr Ti


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr V


species: Cu Ni

Wyckoff_letters_orig: e e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e e


species: Cu Ti


species: Cu Zn


species: Ni V

aflow_prototype_params_list_relax: a c/a x2


species: Ni Zn


Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Co Zn

species_pp: Co Zn


species: Cr Fe


species: Cr W


species: Cr Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Fe

Wyckoff_letters: c d e


crystal_class: monoclinic-prismatic

Wyckoff_letters: d i

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


species: Fe Mn


species: Mn Mo


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mn Ni


species: Mn Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_relax: a c/a z3


species: Mn V


species: Mn Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ti V


species: I Ta

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


Wyckoff_letters_orig: i i i j j j j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j j j j

Wyckoff_letters: g j


species: O Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


Wyckoff_letters: a c


species: Hg Rb


sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cl Nb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Cs Li


species: Cs Ta

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: K Rb

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Li Nb


species: O Sm

Wyckoff_letters_orig: c c

Wyckoff_letters: c c

Wyckoff_letters: b c


species: Fe Sm

Wyckoff_letters_orig: a c


species: Cs F


species: F Pb

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: Dy Zn


species: Co Dy

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ce Pr

species_pp: Ce Pr


species: Cu Eu

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Pr


species: Ho Mn

Wyckoff_letters: d e


species: Mn Tb


species: Ni Sm


species: Tb V

Wyckoff_letters_orig: b d


species: Cr I

Wyckoff_letters_orig: c a c a

Wyckoff_letters_orig: c c c c c c c c c

Wyckoff_letters: c a c a

Wyckoff_letters: c c c c c c c c c


species: Cd I

species_pp: Cd I


species: I Zn

sg:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: f f f e e f f f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f e e f f f f

Wyckoff_letters: f f f f


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Au Ir

species_pp: Au Ir


species: Cd Zr

Wyckoff_letters: a c


species: Ir Sc


species: La Pd

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Re Ta


species: Ti Y


species: La Ni

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: O Pt

species_pp: O Pt

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Pd


species: Re W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Au Mo


species: Ir Tc


species: N Ru

crystal_class_orig: diploidal


species: Hg Ru

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c


species: Pt Re


species: Mg O


species: Au Re


species: Cu Ir


species: Cr Os

Wyckoff_letters_orig: a e


species: Hf Rh

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe I


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: I K


Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


crystal_class_orig: ditetragonal-dipyramidal


crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: I Li


species: I Mg


species: I Si

species_pp: I Si

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: I Zr

sg:
Pnma #62
Imma #74
Imma #74

sg2:
Pnma #62
Imma #74
Imma #74

Wyckoff_letters_orig: c d


species: Cd I

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a c b

Wyckoff_letters_orig: d d


sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: I In

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: Ba I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a d g h

Wyckoff_letters: a d g h


species: Al I

species_pp: Al I


Wyckoff_letters_orig: b b b b b b b b b

Wyckoff_letters: b b b b b b b b b


species: Hf Tc

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Pd Pt


species: Hg Nb


species: Pm Ti


species: Ta Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Tc


species: Cu Pm


species: Pt Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Pt

species_pp: Co Pt

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: La Pd


species: La Re

Wyckoff_letters: b c


species: Ta V

Wyckoff_letters: c d


species: Au Os

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Se


crystal_class_orig: dihexagonal-dipyramidal


species: Au Nb

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb Zn


species: Ag Y

Wyckoff_letters_orig: a d


species: La Rh

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Hf W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mo Ta

Wyckoff_letters: a d


species: Hf Ta

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


crystal_class: hexoctahedral


species: V Zr


species: Cd Fe


species: Cd Cr

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

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ag La

species_pp: Ag La


species: Li Mn


species: Bi O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d


species: Pb Te

Wyckoff_letters: a a


species: Ca Co

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: I V


species: O Pd


species: O Ti

Wyckoff_letters_orig: e i j

Wyckoff_letters: e i j


species: Cu Li


species: Cr O


species: F Zn

species_pp: F Zn


species: Co O

species_pp: Co O

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: Ho Ni


species: Eu O

species_pp: Eu O


species: C Ti

Wyckoff_letters_orig: a c f h

Wyckoff_letters: a c f h


species: Cd Cs


species: Cu I

crystal_class: tetrahedral


species: Bi F


species: Au Mo


species: O Sr


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O


species: Al Ni

Wyckoff_letters_orig: c e


species: Ge Te


species: Li Ni


species: Sb Th


species: Cu K

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: O Zn

species_pp: O Zn


species: Ir Si

species_pp: Ir Si


species: Mg O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: F Ni

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr Pt


species: C Tb


species: F Zn


species: O Sc


species: Mo O


species: Hf Pt


species: O Tm

species_pp: O Tm


species: Cd O

species_pp: Cd O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Cr Te

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: b c f

Wyckoff_letters: b c f


species: Nb O

crystal_class_orig: diploidal

crystal_class: diploidal


species: I Mg


species: O Re

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cr F

Wyckoff_letters_orig: c c d i

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters: c c d i

Wyckoff_letters: c c f h i j k


species: Mo Os

crystal_class_orig: hexoctahedral


species: Ni Tc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: K O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: c b

Wyckoff_letters: a g f j

Wyckoff_site_symmetries: mmm mmm

Wyckoff_site_symmetries: mmm mmm mmm 2mm

aflow_prototype_params_list_relax: a b/a c/a x6


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: O Sb

species_pp: O Sb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca F


species: Mn Mo

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cd Pd


species: C O

species_pp: C O


species: Cr Zr


species: F Hg

species_pp: F Hg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Mg

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Eu O


species: Mg Se

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: I V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Ru Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Zn

Wyckoff_letters_orig: e e


species: Ca Tc

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cu Ni


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: a b c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c c c

Wyckoff_letters: c c c c


species: O W


species: I K


species: F V


species: Bi O

Wyckoff_letters_orig: a b e

Wyckoff_letters: a b e

Wyckoff_letters: e e


species: Se Zn

species_pp: Se Zn


species: Co Re

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Li Ti


species: Ca Ti


species: Mn Rh


species: Ni Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ag Rh


species: O Sn

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Cr Li


species: Ca Mg


species: Co F

species_pp: Co F

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b

Wyckoff_letters_orig: a b b b c c c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b

Wyckoff_letters: a b b b c c c c


species: Cr Zn

crystal_class: ditetragonal-dipyramidal


species: K O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e e


species: Ni O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: g i

Wyckoff_letters: g i

Wyckoff_letters: h i


species: Fe V

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


Wyckoff_letters_orig: b c

Wyckoff_letters_orig: c c

Wyckoff_letters: b c

Wyckoff_letters: c c


species: Ca Cr

crystal_class: ditrigonal-scalahedral


species: I Tc

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Au Cd

species_pp: Au Cd


species: Rh Ta

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: La Ni


species: Cu Re

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cr P

Wyckoff_letters_orig: i i


species: Ge O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b

Wyckoff_letters: a b c


species: Cd Ti


species: Sb Sc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sc


species: I Ti

Wyckoff_letters_orig: f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: f f


species: Mn Ti


species: Fe Sc


species: Cd Os

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe K


species: Cu Li

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F V

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Co O