species: I In


species: Cr Re

Egap_DOS_type: metal

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: tetragonal-dipyramidal

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: tetragonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT


species: O Sr

Egap_DOS_type: insulator

sg:
Fmm2 #42
Fmmm #69
Fmmm #69

sg2:
Fmm2 #42
Fmmm #69
Fmmm #69

Bravais_lattice_orig: ORCF

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCF

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: ORCF

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: d c e

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORCF

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCF

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: h g o


species: Au Fe

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: b d

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: b d


species: Cr Os

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: hexagonal

crystal_class_orig: dihexagonal-pyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

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

aflow_prototype_params_list_relax: a c/a


species: Pt Y

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Ag Nb

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: a c


species: Tc Y

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Au La

species_pp: Au La

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal

point_group_structure: dihedral

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Fe Pd

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: Mo Rh

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Cr Ru

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

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_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: c d

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: c d


species: Nb Rh

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a f

Wyckoff_letters: a e

aflow_prototype_params_list_orig: a b/a c/a


species: O Ti

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

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

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: g e n

Wyckoff_letters_orig: h f n

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

Wyckoff_letters: g e n

Wyckoff_letters: h f n


species: Cd Nb


species: Al O

species_pp: Al O

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

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

Wyckoff_letters_orig: e f

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

Wyckoff_letters: e f


species: Ni Pt


species: Re W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d

aflow_prototype_params_list_orig: a c/a


species: Rh Y


species: La Ti

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


species: Ca I

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

reciprocal_lattice_type: MCLC

Wyckoff_letters: f f


Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: d c


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: c e f f f


aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Cr I

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


Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

crystal_class_orig: monoclinic-sphenoidal

point_group_structure_orig: cyclic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL


species: I K

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_site_symmetries_orig: m m m

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: i i i

Wyckoff_letters: a i

Wyckoff_site_symmetries: m m m


species: I Mg

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: m m m n n n

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m m m m m

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Wyckoff_letters: e e e


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: I Ni


species: Be I

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e e e e


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg I

species_pp: Hg I


sg:
Pbcn #60
Pbcn #60
Pmna #53

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: I Pb

Wyckoff_letters_orig: b c


species: Au V

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d


species: Cu I

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: I Zn

species_pp: I Zn

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Cr Zr

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Hf Zn

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC


species: Au Pd


species: La Y


species: Ag Mo


species: Ir Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Au Mn


species: Hf Ta


species: Mo Tc


species: Mo Zr


species: Os Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Sm Sn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a c h

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Wyckoff_letters: a c h

Wyckoff_site_symmetries: mmm mmm 2mm


species: Ag La

species_pp: Ag La

Wyckoff_letters_orig: c i

Wyckoff_letters: b f

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

aflow_prototype_params_list_relax: a b/a c/a x3


species: Au Hg

species_pp: Au Hg


species: Co La

species_pp: Co La


species: Au Ir

species_pp: Au Ir


species: Cd Co

species_pp: Cd Co


species: Hf Mo

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Hf V


Wyckoff_letters: a d


species: Nb Ta

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nb V

Wyckoff_letters_orig: a e


species: Hf Ti


species: Mo Nb

crystal_class: dihexagonal-pyramidal

point_group_type: polar


species: Ta W


species: Hg W


species: Te Y


species: Bi Cs


species: Cd Tc


species: Mo Ru


species: Au Ru

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: Cu Sc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ga O

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: diploidal

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

crystal_class: diploidal

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Cl Sm


Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Mn O

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cu F


species: Cu Y


species: La Sc


species: Li Tc

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

point_group_structure: symmetric

Wyckoff_letters: c e


species: Cd O

species_pp: Cd O


species: F Ti


species: Cd Rh

Wyckoff_letters_orig: e e e e e e e e e e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e e e e e e e e e e

Wyckoff_letters: e e


species: Ru Sc


Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: c c

Wyckoff_letters: a b c c c c


species: O W

crystal_class: orthorhombic-pyramidal


species: Fe O

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Li Si


species: Ca Ni


species: Ca Zn

Wyckoff_letters_orig: a d

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: O Ti


species: Cr W


species: Mn Y


species: N Th


species: Ho Ru


species: I Mn

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

point_group_Schoenflies: T

point_group_structure: alternating


species: Ir Rh

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Br Sr

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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

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


species: Ca K

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co F

species_pp: Co F

sg:
Pnma #62
Cmce #64
Cmce #64


species: Cu Mg

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3


species: Pt Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn O


species: W Zn


species: Mn Zr


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: a c

Wyckoff_letters: c f


species: Ca Cr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe Ni


species: Eu O

species_pp: Eu O

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Ag Fe

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni Rh


Wyckoff_letters_orig: e e


species: Ni V


species: Mg O


species: F Fe

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-pedial

point_group_structure_orig: trivial

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pedial

point_group_structure: trivial

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: a a a a a a a a

Wyckoff_letters: a a a a


species: Fe Li

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: C Sc


species: F Mg

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b

Wyckoff_letters: c c

Wyckoff_letters: a b


species: Cr K


species: Co Rh

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters: e e


species: W Zr


species: Cu Li


species: Bi O


species: Ca Co


species: Li Mn


species: Ir Ru


species: F Sr


species: Hf Ir


species: La Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ga O


species: I Mg


species: O Re

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

reciprocal_lattice_type_orig: TRI

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

Wyckoff_letters_orig: i i i i

Wyckoff_letters: e a


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m


species: Fe Mg

Wyckoff_letters: c e d


species: Bi Yb


species: Al H

species_pp: Al H

Wyckoff_letters_orig: a b c c c

crystal_class: monoclinic-sphenoidal

point_group_structure: cyclic

Wyckoff_letters: a b c c c


species: Fe Re


species: Ca Li


species: Mg O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Br W

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Cd Cl

species_pp: Cd Cl


species: Cs Pb


species: I Mn

crystal_class_orig: orthorhombic-pyramidal


species: Fe Ta


species: Ir N

species_pp: Ir N


species: Mn O

Wyckoff_letters_orig: b b b b

Wyckoff_letters: b b b b


species: Y Zn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cu Li


species: Co O

species_pp: Co O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: Li Ni


species: Co Mg


species: Ge Te

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m m m


species: Hg Ir

species_pp: Hg Ir


species: Ni O

crystal_class_orig: hexoctahedral


species: Fe Li


species: As Hf

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters_orig: c c c c c c c c c c

Wyckoff_letters: c c c c c c

Wyckoff_letters: c c c c c c c c c c


species: Rh Tc


species: Hg Pt

species_pp: Hg Pt

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Os Pd


species: Hg O

species_pp: Hg O


species: As B

crystal_class_orig: dihexagonal-pyramidal


species: Ca Mg

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Si Zr


crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

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

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

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m


species: Cr Mg


species: Mg Te

crystal_class: orthorhombic-bipyramidal

aflow_prototype_params_list_relax: a b/a c/a


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co O

crystal_class_orig: ditrigonal-dipyramidal


species: O V

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: a b e

Wyckoff_letters: e e e

Wyckoff_letters: a d e


species: Pt Sc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca V

crystal_class_orig: dihexagonal-dipyramidal


species: Tc V


species: Co Mg


species: Cu K


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


species: Nb Tc


species: Dy Te

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Mo Zn


species: Li O

crystal_class: hexoctahedral


species: Pb Se

crystal_class: ditetragonal-dipyramidal


species: Mn Zn


species: Ca Co

crystal_class: dihexagonal-dipyramidal


species: I V


species: Pd Si

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: Co Ti

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Nb Sc


species: Fe O

Wyckoff_letters_orig: a a a a b b

Wyckoff_letters: a a a a b b


species: K Li


species: O Rh


species: O Tc

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Cu Mg


species: Mn O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: O Pb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e


species: Cr K


species: Pd Zn


species: Ni O


species: O Sc

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Cd Hg

species_pp: Cd Hg


species: I Tc


species: I Zn

species_pp: I Zn


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a b


species: K Pb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Pb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co Ti

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters: a e


species: Co Cr


species: Cr W


species: Cu Ni

Wyckoff_letters_orig: c d e


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe Zn


species: Mo W


species: Ti V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: V Zn


species: Co Mn


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr Fe


species: Cr Mo


species: Cr V

Wyckoff_letters_orig: a c


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Ti


species: Cu W


species: Mo Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni Zn


species: Ti Zn


species: Cl Mg

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: Cl Nb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Hg Mg

Wyckoff_letters: a b


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg In


species: Hg K


species: Hg Li

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Hg Se

species_pp: Hg Se

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


Wyckoff_letters: a c


species: K Nb


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pb Ta

crystal_class: ditrigonal-dipyramidal


species: O Pb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


Wyckoff_letters_orig: a e


species: Hg Y


Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b


species: F Nb


species: Ce O

species_pp: Ce O

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Nd O

species_pp: Nd O

crystal_class_orig: ditrigonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: O Sm


species: Fe Pr


species: Cu Tb


species: Fe Yb


species: Ho Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cl Mg


species: Cl Nb

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Er Ti


Wyckoff_letters: b g


species: Tb Zn


species: I Si

species_pp: I Si

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: I Sn

species_pp: I Sn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Ag I

species_pp: Ag I


species: Hg I

species_pp: Hg I

crystal_class: orthorhombic-pyramidal


species: Au Ir

species_pp: Au Ir


species: Cd Sc

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ir Sc

crystal_class_orig: diploidal


species: La Re


species: Mo Zr


species: Rh Ru


species: Ag V


species: Cu Sc


species: Nb Zr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Sc Y

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Rh Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ru W


species: W Y


species: Cd Mn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ir Rh

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Au Cu


species: Cd Hg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Al O

species_pp: Al O


species: Ag Cd

species_pp: Ag Cd


species: Pd V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Sc

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Hg Ru

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: La Zn

species_pp: La Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Re W


species: Sc Ta

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca I

Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n

Wyckoff_letters: d a


species: Co I

species_pp: Co I


species: I K

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e


species: I Li

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: I Mg

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d


species: I Ni

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: b a j k

Wyckoff_letters: c i


species: Cd I

species_pp: Cd I


species: Hg I


Wyckoff_letters_orig: c c


species: I Pb

Wyckoff_letters_orig: e e


species: Ir La

species_pp: Ir La

crystal_class_orig: dihexagonal-pyramidal


species: Ir Mo

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mo Zr


species: Ta Y

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h


species: Cu I

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: I Zn


species: Al I

species_pp: Al I


species: Ga I

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Au Tc


species: Hg Ta

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb Sc


species: Co Hg

species_pp: Co Hg

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hf Mn

crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Mn Tc


species: Pt Ru


species: Rh Sc


species: Tc Y

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Os


species: Rh V


species: Se Sr

crystal_class_orig: trigonal-trapezoidal


species: Re W

Wyckoff_letters: c g


species: Au Cd

species_pp: Au Cd


species: Fe Zr


species: Tc Ti

Wyckoff_letters: a c


species: Ir Pt

species_pp: Ir Pt


species: Mo Zr


species: Ta W

crystal_class_orig: ditrigonal-scalahedral


species: Nb Ti


species: Ag Mn


species: Pd Zn


species: Ir Os


Wyckoff_letters: e e


species: Fe Pd


species: Ag W


species: I K

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Au Ru

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Zn Zr


species: Tc W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Sm V


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cu O

Wyckoff_letters_orig: a f h

Wyckoff_letters: a f h


species: Bi O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ni Ru


species: O Ti


species: Cu Ta


species: Ni O


species: Ir Ru


species: Tc Ti


species: B Pr

crystal_class_orig: hexagonal-dipyramidal


species: Os Si

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: b c d e e i i i i

crystal_class: tetrahedral

Wyckoff_letters: b c d e e i i i i


species: Ni Os


species: O Sr

Wyckoff_letters_orig: a c e

Wyckoff_letters: a g n

Wyckoff_letters: b g n

Wyckoff_site_symmetries: mmm 2mm .m.


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pt Ru


species: Ag F

species_pp: Ag F


species: Li V


species: Ca V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Co O

species_pp: Co O

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca Mg

crystal_class: diploidal


species: I O

species_pp: I O


species: Ge O

crystal_class: orthorhombic-bipyramidal


species: Fe Pt


species: La Re

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr F

Wyckoff_letters_orig: b d


species: F Ni

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters_orig: c c d i

Wyckoff_letters: c c f h i j k

Wyckoff_letters: c c d i


species: Ca F

Wyckoff_letters_orig: e f


species: O Sc

crystal_class_orig: tetragonal-scalenoidal


species: Ir O

species_pp: Ir O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c b d d

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a d

Wyckoff_letters: c b d d


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d

Wyckoff_letters: a c


species: K O


species: Hf Zn

crystal_class: hexoctahedral


species: F Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Os


species: O Ta


species: Cu Rh

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Fe O

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a b c c c c


Wyckoff_letters_orig: c i

Wyckoff_letters: d i

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


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: g h i

Wyckoff_letters: g h i


species: Ru Sc


species: Co O

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c d

Wyckoff_letters: b c e


crystal_class_orig: diploidal


species: Fe K

crystal_class: dihexagonal-dipyramidal


species: Rh Th


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: a e


species: Cd O

species_pp: Cd O


species: F Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Zr


species: Pt Te

species_pp: Pt Te

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c c


species: C Fe


species: O W

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Mo Rh


species: Mn O

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Ti


crystal_class_orig: hexoctahedral


species: Ag F

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: i i i

Wyckoff_letters: b e

Wyckoff_letters: i i i


species: Al Ce

species_pp: Al Ce

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: Cr Mn


species: C N

species_pp: C N

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr Pd


species: Ca Fe

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni Zn


species: Cr K

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mg S


Wyckoff_letters_orig: a b c

Wyckoff_letters: d c


species: O Zr


species: Hf O

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: Cu Ir

crystal_class_orig: dihexagonal-pyramidal


species: Co Mg

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Re


species: O Sr


species: O V

Wyckoff_letters_orig: a b c c d

Wyckoff_letters: a b c c d


species: Li Zn


species: Cu O


species: O Ti

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Pd

crystal_class_orig: orthorhombic-bipyramidal


species: La S

species_pp: La S


species: F V


species: Mn O

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c b d d


species: Co Li

Wyckoff_letters: a d


species: Cr Ga

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a h h

Wyckoff_letters_orig: b f h

Wyckoff_letters: a h h

Wyckoff_letters: b f h


species: Cu W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co K

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Os


species: Ir Pt


species: Ca Mg

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


Wyckoff_letters_orig: a l


species: B Li

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c c

Wyckoff_letters: c c d

Wyckoff_letters: c c


species: Sc Zr

Wyckoff_letters_orig: c g


species: Ca Cu


species: Cu Mg


species: Mg O


species: Li Ni


species: Pb S


species: Hg Sc


species: Cu I


species: Cd Ni

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Co O


species: Bi Sn

Wyckoff_letters_orig: b d d

Wyckoff_letters: b d d


species: Ca Ti


species: Gd Ir

species_pp: Gd Ir


species: Rh Th

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: f a

Wyckoff_letters: f e g


species: O Pd

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

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


species: Co Li


species: F Tc

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: O Rh


species: La Re


species: Fe Sc


species: Ni Rh

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: O Sc


species: Hg Te

species_pp: Hg Te


species: Ca Pb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mg Pb


species: Mn Zn

Wyckoff_letters: a l


species: Co Ni


species: Cr Zn


species: Cu V


species: Mn Mo

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mn Ni


species: Mn V


species: Mo Ti


species: Mo Zn


species: Ni Ti


species: Ti W


species: W Zn

Wyckoff_letters_orig: a h


Wyckoff_letters: a d


species: Cr Mn

Wyckoff_letters: a h


Wyckoff_letters: c e d


species: Fe Mo


species: Fe Ti

crystal_class_orig: tetragonal-dipyramidal


species: Mo Ni

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hg Li


species: Hg V


species: Ca Cl


species: Ca Nb

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cs Ta


species: K Nb


species: K Rb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: K Ta

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mg Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb Rb


species: Cl Nb

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

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

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

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


species: F Nb

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

Wyckoff_letters_orig: b c c c c

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

Wyckoff_letters: b c c c c


sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Wyckoff_letters_orig: a g i n

Wyckoff_letters_orig: c f

Wyckoff_letters: a g i n

Wyckoff_letters: c f


species: F Mg

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


species: F Pb


species: Eu O

species_pp: Eu O


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Nd

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cr Er


species: Cr Mo


species: Ca Cl

Wyckoff_letters_orig: b a a a a a a

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

Wyckoff_letters: b a a a a a a

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


species: Er Mn


species: Ho Pr


species: Co Ho

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co Pm

species_pp: Co Pm

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Dy Eu


species: Dy Zn


species: Eu Gd

species_pp: Eu Gd


species: Fe Tb


species: Mn Tb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Sm Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ge I

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cd I

species_pp: Cd I


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Zr

crystal_class_orig: monoclinic-prismatic

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: Dy Ti


species: Os Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Pd Ru

sg:
Pnma #62
Pnma #62
Pnma #62


species: Cu Ta

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Fe Tc


species: La Zn

species_pp: La Zn


species: Ta W


species: Ag Hg

species_pp: Ag Hg


species: Fe Os

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mn Pd


species: Hf Ru

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


species: Hg Pd


species: Ni Pt


species: Re Zn


species: Hg V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ag Co

species_pp: Ag Co

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Re Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ta Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca I


species: Co I

species_pp: Co I

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Egap_DOS_type: half-metal

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


Wyckoff_letters_orig: h h

Wyckoff_letters: h h


Wyckoff_letters_orig: a b

crystal_class: monoclinic-prismatic

Wyckoff_letters: a b


species: Cr I


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Fe I


species: I Mg

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: I Ni

crystal_class: dihexagonal-pyramidal


species: I Si

species_pp: I Si

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: b c

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i


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: I Sn

species_pp: I Sn

Wyckoff_letters_orig: d b i

Wyckoff_letters: a e i


sg2:
Pnma #62
Pnma #62
Pnma #62


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Hg I

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e


species: Cd Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Zn

species_pp: I Zn

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

Wyckoff_letters: a c e

Wyckoff_letters: b c d


sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a


species: I Sr

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal


species: Fe Zr

crystal_class_orig: hexoctahedral


species: Ir Ni

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Tc V

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cu Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O V

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i i

Wyckoff_letters: a i


species: Rh W


species: Cd Cr


species: Cd Zn

species_pp: Cd Zn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Y

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hg Pd


species: Mn Nb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ti Y


species: Rh Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Zn Zr


species: Hf Ni

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ir Pd


species: Re V


species: Ru V


species: Cu Sc


species: Hf Nb


species: Hf W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Zr


species: Nb Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Nb V


species: Ta Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Au Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Rh

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Pd

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Re


species: Ir Ru


species: Hg Ta


species: Ge Te

Wyckoff_letters_orig: n m


species: Bi O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Fe Li


species: Mn Ti


species: Ca Cr


species: F Mn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Sn

species_pp: O Sn


species: Si Ta

Wyckoff_letters_orig: b k

Wyckoff_letters: b k


species: O Ti


species: Cd Sb

species_pp: Cd Sb

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Ni


species: Ni O

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


species: O Si

species_pp: O Si

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Be Zr


species: F Ga

crystal_class_orig: hexagonal-pyramidal


species: F Ir

species_pp: F Ir

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cr Mo

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co K


species: Cu Li


species: Fe O

Wyckoff_letters_orig: a b

Wyckoff_letters: b a


species: Ga Nd


species: Fe Li

crystal_class_orig: dihexagonal-pyramidal


species: N Ta

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Bi Ti

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Li O


species: O Ti

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a b b b

Wyckoff_letters: a a b b b


species: O Sn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e

Wyckoff_letters: a e


species: F Mn


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: d d d


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: c f f


species: Cr Li


species: Co Li


species: Li Mn

Wyckoff_letters_orig: c g


species: Ta Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca O

sg:
Cm #8
Fmmm #69
Fmmm #69

sg2:
Cm #8
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a a a b b

Wyckoff_letters: a g n

Wyckoff_letters: b g n


species: Mn O


species: Pb S


species: Fe O


species: O V

Wyckoff_letters_orig: f f i

Wyckoff_letters: f f i


species: Te Zr

crystal_class_orig: ditrigonal-scalahedral


species: Cd O

species_pp: Cd O


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Y

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a


species: O W


species: Er O

sg:
Pccn #56
Ibam #72
Ibam #72

sg2:
Pccn #56
Ibam #72
Ibam #72

Wyckoff_letters_orig: c e

Wyckoff_letters: a f


species: Fe Ni


Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Mo Pd


species: Ca Ti

crystal_class: tetrahedral


sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: La Os


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ag Mo

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd Nb


species: Ca Cu

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Nb Zr


species: Ge O


species: F Ti

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: Hf Zr


species: Sc Ti


species: Sr Zn

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: Cu K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Tc


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Li Tc


species: V W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Au F

species_pp: Au F


species: Ni Ti

Wyckoff_letters_orig: a h


species: I Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: S Sn

species_pp: S Sn

crystal_class_orig: monoclinic-prismatic


species: F Ni


crystal_class_orig: ditrigonal-dipyramidal


species: O V

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: F Mn

Wyckoff_letters: c c


crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b a d d

Wyckoff_letters_orig: c d


species: Cd V

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O Sn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a h


species: Au Zr

Wyckoff_letters_orig: c i


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cl Rh


species: Ca Li


species: I Mn

crystal_class: hexoctahedral


species: Ni O

Wyckoff_letters_orig: c c


species: Al Sc


species: Co Ti

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Eu O

species_pp: Eu O


species: Mg Se


species: Ca Mg


species: Pb Se

crystal_class_orig: ditrigonal-pyramidal


species: Fe Li


species: Fe O

crystal_class: orthorhombic-pyramidal


species: Mn O

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cd La

species_pp: Cd La

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: F Zn

species_pp: F Zn


species: O Sr

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: I Nb

crystal_class_orig: orthorhombic-sphenoidal


species: Ca V

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: Ge S

Wyckoff_letters_orig: e e


species: Pb Te


species: O V


species: Ag Bi

crystal_class: ditrigonal-scalahedral


Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd Nb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Ta

Wyckoff_letters: c d


species: Cl Mo

Wyckoff_letters_orig: k k l

Wyckoff_letters: k k l


species: Ca Zn

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: F Tl

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: I Mg


species: Al O

species_pp: Al O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: Cr Ni


species: I Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Mg


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b


species: Cu O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Ca Fe


species: Re W

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I V


species: Hf O

Wyckoff_letters_orig: c b d d


species: I Ni


species: Re Ru


species: Re Y


species: Ca Ni

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Fe O


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Ti

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Li Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd W

sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c d


crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Hf V


species: Li Pb

crystal_class: ditrigonal-dipyramidal


species: Ca Pb

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mg Pb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Co Zn

species_pp: Co Zn


species: Cu W

sg:
Pnnm #58
Immm #71
Immm #71


species: Co Mn

Wyckoff_letters_orig: b f


species: Co Ni

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Co V


species: Cr Zn


species: Cu Fe

Wyckoff_letters_orig: a f


species: Fe Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Fe W

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Mn Ni


species: Mo Ti


species: Mo Zn

crystal_class_orig: ditrigonal-scalahedral


species: Ni Ti

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Co Cu


species: Cr Mn


species: Cr V

crystal_class_orig: diploidal

crystal_class: diploidal


species: Cu Ni


species: Cu Ti


species: Cu V


species: Fe V


species: Mn V


species: Mn W


species: Mn Zn


species: Mo Ni


species: Mo V

Wyckoff_letters_orig: c c


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


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: a b c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b c c


species: Ti V

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cl Ta

Wyckoff_letters_orig: c g i i j

Wyckoff_letters_orig: d i

Wyckoff_letters: c g i i j

Wyckoff_letters: d i


species: O Pb

Wyckoff_letters_orig: a c


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hg In


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb


species: Ca Rb


species: Li Rb


species: Nb Rb


species: Ca Cl


species: F Pb

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: Ce O

species_pp: Ce O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: f h i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: f h i


Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Er Nd


species: Fe Pr

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g


species: Co Ho


species: Cr Dy

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Er Pm


species: Cl Nb

sg:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: O Pb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: a e f f f

Wyckoff_letters: f f


Wyckoff_letters: a c


species: Cu Nd

Wyckoff_letters_orig: a d


species: Tb Yb


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: I Pb


Wyckoff_letters_orig: c c c


species: Ge I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Si

species_pp: I Si


species: Co Zr

Wyckoff_letters: a d


species: Rh Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Pt

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ag Cu


species: Ir Rh


species: Nb Ti


species: Y Zr


species: Pt Ti


species: Ta Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Hf


species: Re Zr


species: Sn Yb

species_pp: Sn Yb


species: Os Zn


species: Au Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hf Ru


species: La Ni

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Rh Tc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Eu


species: Co I

species_pp: Co I

crystal_class_orig: dihexagonal-pyramidal


species: Cr I

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


Wyckoff_letters_orig: a f

Wyckoff_letters: c f


species: Fe 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: c i

Wyckoff_site_symmetries: 2/m m m m


species: I Li

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters: a f


species: I Mg

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


species: I Ni


species: Be I


species: I Si

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Ge I


species: I Zr

Wyckoff_letters_orig: e f f f f


Wyckoff_letters_orig: g g

Wyckoff_letters: g g


Wyckoff_letters_orig: a d


species: I Sb

species_pp: I Sb

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Ba I

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Au Pd

Wyckoff_letters_orig: c f


species: Cu Os

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu I


species: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cu Tc


species: Co Nb


species: Hf Tc

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Sc V


species: Cr Re


species: Er Tb


species: Co Ir

species_pp: Co Ir

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ir Ni


species: Mo Ta

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Pd Y


species: Ta Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Ta Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Ti

Wyckoff_letters: c f


species: Au Ir

species_pp: Au Ir


species: Hf W


species: Hf Zr


species: Nb V


species: Ta V

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters: a b


species: Hf Mo


species: Hf V


species: Mo Nb


species: Nb Ta

Wyckoff_letters_orig: a e

crystal_class: tetrahedral


species: Nb Ti


species: Ta Zr


species: Co Sc

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Cr Pt


species: Rh Ti


species: Ca Mn


species: Mo Se


species: Os Sc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ba Sb


species: Cu N


species: Dy Ho


species: Hg La

species_pp: Hg La


species: Sc Tc


species: Cd Zr


species: Cu Hg


species: Cr O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ag Bi


species: Cr Mg


species: Mo P

Wyckoff_letters_orig: a a


species: Zn Zr


species: Li Tc


species: F Tl


species: Cl Mo

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Fe O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb O

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Cu O


species: Ir Ru

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: O Ti

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Co Ti


species: Hf V


species: Hf O


species: Li Ni


species: Cu Mg


species: Mn Mo


species: Cu F


species: O Sc


Wyckoff_letters_orig: a d

crystal_class: hexoctahedral

Wyckoff_letters: a d


crystal_class_orig: tetrahedral

Wyckoff_letters: a e


species: Fe K


species: Ni Sm


species: Co La

species_pp: Co La

Wyckoff_letters_orig: a c c c h h

Wyckoff_letters_orig: b c c

Wyckoff_letters: a c c c h h

Wyckoff_letters: b c c


species: As V

Wyckoff_letters_orig: c c f f

Wyckoff_letters_orig: a c f f f

Wyckoff_letters: c c f f

Wyckoff_letters: a c f f f


species: Co F

species_pp: Co F


species: Au Pd


species: N Sr


species: O Tc

Wyckoff_letters_orig: c d


species: O Zr

Wyckoff_letters_orig: a b


species: Fe Ni

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: I Ti


species: Li Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: O Ti

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i

Wyckoff_letters: d i i i


species: Bi O

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O W


species: Cr Mg


species: F Hg

species_pp: F Hg


species: Au Hf


species: As Si

species_pp: As Si

Wyckoff_letters_orig: e e e e f g h i i

Wyckoff_letters: e e e e f g h i i


species: Co Cr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Pt Y

crystal_class: dihexagonal-pyramidal


species: F Nb


species: Li Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Br Nb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i


species: Ru Tc

crystal_class: dihexagonal-dipyramidal


species: Ca Zn


species: Hg Tc

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cd Sc

crystal_class: ditrigonal-scalahedral


species: Be Mo

Wyckoff_letters_orig: f i j

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: f i j


species: Cu F

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a a a a a a

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

Wyckoff_letters: b a a a a a a

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


species: Ca Cr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co O

species_pp: Co O


species: Ca Mn


species: Pt Tc

crystal_class_orig: hexoctahedral


species: Ni Ti


species: I Mn


species: Mo O

crystal_class_orig: ditetragonal-dipyramidal


species: Cu K

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Li Ti


species: O Pt

species_pp: O Pt


species: O Ru

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Cr Cu


species: Mn O


species: O V

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: I Ti


species: Tc W


species: Ag Bi


species: Mg Si

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: a c c

Wyckoff_letters: e f

Wyckoff_letters: a c c


species: Cu Yb


species: F V


species: Ge Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Ni

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ir Pd

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Ni O

crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Cr F

crystal_class_orig: ditrigonal-scalahedral


species: Mn Ni


species: Co F

Wyckoff_letters_orig: b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b c


species: Ca Li


species: Ca O

Wyckoff_letters_orig: e e e e


species: O Sr

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: Cr O


species: Au Cr


species: Cu K


species: Cr K

crystal_class: ditrigonal-dipyramidal


species: Rh Zr

Wyckoff_letters_orig: c f g

Wyckoff_letters_orig: c e

Wyckoff_letters: c f g

Wyckoff_letters: c e


species: Cd F

species_pp: Cd F


species: I K


species: Cd Te

species_pp: Cd Te


species: Ir Mn


species: Co K


species: Cd Zr

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


species: Cu Zr

Wyckoff_letters_orig: a d


species: K O


species: O Ru

Wyckoff_letters_orig: e i

Wyckoff_letters_orig: a c

Wyckoff_letters: e i

Wyckoff_letters: a c


species: I Tc

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: O Zr

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f


species: Mg O

crystal_class_orig: orthorhombic-sphenoidal


species: Co Mg


species: Mg Si

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: F Mn


species: Mo O

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Li O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ce Tl


species: I Te

species_pp: I Te

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Fe Zn

Wyckoff_letters_orig: c i i j j

Wyckoff_letters: c i i j j


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I Mn

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56


species: Cr F

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cd F

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: Cu Mg

Wyckoff_letters_orig: c d

Wyckoff_letters: e f


species: O Zn

species_pp: O Zn


species: Cu Li

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: O Si

species_pp: O Si

crystal_class_orig: trigonal-trapezoidal


species: I V

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sr

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a b

Wyckoff_letters_orig: a a a a b b b b b

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a b

Wyckoff_letters: a a a a b b b b b

Wyckoff_site_symmetries: m m m m m m m m m


species: Ni O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i


species: Cd O

species_pp: Cd O

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7


species: Cr Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: h n

Wyckoff_letters: h n


species: Cu O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: c f

Wyckoff_letters: c e


species: Os Sc

crystal_class_orig: orthorhombic-pyramidal


species: Co Mg


species: Ca Zn

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Pb Rb


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Mn


species: Cr Fe

Wyckoff_letters: c f


species: Co Cr


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: Co Mo

crystal_class_orig: dihexagonal-pyramidal


species: Co Zn

species_pp: Co Zn


crystal_class_orig: tetrahedral


species: Cr Ni


species: Cu Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Zn


species: Fe Mn


species: Fe W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn Mo


species: Mn W


species: Mn Zn


species: Ni V


species: Ti W


species: Co Fe


species: Cr Zn


species: Cu Mo


species: Fe V


species: Mn Ti


crystal_class_orig: ditrigonal-dipyramidal


species: Ti V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ti Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: V W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cl Nb

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b


species: Hg Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Li


species: Hg Rb


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ca Cl

Wyckoff_letters: a b


species: Ca Rb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: K Nb

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Li Nb


species: Mg Ta


crystal_class_orig: hexoctahedral


species: Ca Nb


species: Cl Pb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Pb

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e i j

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e i j


species: Cl Mg

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Pr

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: g j

Wyckoff_letters_orig: g h

Wyckoff_letters: g j

Wyckoff_letters: g h


species: Cu Tb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: V Yb

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ce Nd

species_pp: Ce Nd


species: Co Mo

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Co Nd

species_pp: Co Nd


species: V Zn

crystal_class_orig: ditrigonal-scalahedral


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a b c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b c c c


sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a

Wyckoff_site_symmetries: m m m m m m


species: F Nb

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Ni Tb


species: Ce Zn

species_pp: Ce Zn


species: Fe Sm


species: Ho Ni


species: Ho Pr


species: Ho Sm


species: I Pb


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Co I

species_pp: Co I


species: Ga I


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: Pt Ru


species: Au Hf


species: Mn Pd


species: Cr La


species: Cr Rh

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: La W

crystal_class: tetrahedral


species: Cd Sc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe O

Wyckoff_letters_orig: a b

crystal_class: hexoctahedral


species: Hf Ta

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hf V


species: Ir Rh

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Fe Tc

Wyckoff_letters_orig: g h


species: Hg Ni


species: Al O

species_pp: Al O


species: Cd Nb


species: Mg O


species: Pd V


species: Ca I


species: Co I


species: Cr I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I K

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Li

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I Mg

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


crystal_class: ditrigonal-scalahedral


crystal_class_orig: trigonal-trapezoidal


species: I Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Rb


species: Ag I

species_pp: Ag I

crystal_class: ditetragonal-dipyramidal


species: I In

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: Ba I


species: Hg I

species_pp: Hg I


species: Cd La

species_pp: Cd La

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ni Tc

crystal_class: dihexagonal-dipyramidal


species: Os W

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Re Ta


species: Cu I

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i


species: I Sr

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b


species: Cd Tc


species: Fe Pt

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cd Hf

crystal_class: ditrigonal-dipyramidal


species: Hf Zr


species: Au Pt

species_pp: Au Pt

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Ba Si

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Cr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Os


species: Nb S

crystal_class_orig: orthorhombic-pyramidal


species: Nb Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni Os


species: Pd Y

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

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ru Y


species: W Zr


species: Nb Te


species: Sc Zr


species: Hf V


species: Mo Ta


species: Ta Ti


species: Cr Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hf Mo


species: Hf Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Nb Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb V


species: Nb Zr

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Ti Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: La Nb


species: Mo Se


species: Y Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn Tc


species: Gd Ti


species: Ba O

crystal_class_orig: monoclinic-domatic


species: Hf Rh

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Rh Ti


species: Ru Y


species: Ce Mn


species: Co K


species: Bi O

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: O Ti

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: g c


species: Ca Tc


species: Ir O

species_pp: Ir O


species: Nb O

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: O Si

species_pp: O Si

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: e e e e f g h i i

Wyckoff_letters: e e e e f g h i i


species: O Pd


species: As Mn

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a


species: Fe Mo


species: H Ru


species: Ca N

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Au La

species_pp: Au La

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O V


species: Cr Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca I


species: Mo O

Wyckoff_letters_orig: a d g h


species: Mn Ni

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: O Rh

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b

Wyckoff_letters: a b c


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: a a


species: I O

species_pp: I O


species: Mn O


species: La Mg


species: I Mn

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Fe O

crystal_class: monoclinic-prismatic


species: Li Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: C H

species_pp: C H


species: C Si

species_pp: C Si

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ni Tc

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b


species: F Sr


species: Co K

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Nb W


species: F Mn

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

Wyckoff_letters_orig: a a b

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

Wyckoff_letters: a a b


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ni Ti


species: Ca O

crystal_class_orig: ditrigonal-scalahedral


species: As Zr


species: Mg O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: d i


species: Li Ni


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Tc

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr Mg


species: F Fe

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b


species: Ca F

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Mg

Wyckoff_letters_orig: e e e e


species: Mn O


species: Fe Mg


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe O

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Nb O

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e e


species: Os Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ca V

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Mo Se

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: c c e f f

Wyckoff_letters: e f f

Wyckoff_letters: c c e f f


species: Mg Te


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: Cu Os

Wyckoff_letters_orig: a h


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr K


species: Cr Li


species: O Zr

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Co Pd

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu Ru


species: Ca Fe


species: F V


species: Ho O

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: I Mn


species: Au W


species: Ni O

crystal_class: triclinic-pinacoidal

Wyckoff_letters: b a h e

Wyckoff_letters: i i i i i i


species: Hf Ta


species: Bi Ti


species: Cu Zr


species: Ni Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Sc Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Co F

species_pp: Co F

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: O Pt

species_pp: O Pt


species: Co Li

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Fe I


species: Ca V

crystal_class: hexoctahedral


species: Ca F


species: F Ni

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: O Sr

crystal_class_orig: triclinic-pinacoidal

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

Wyckoff_letters_orig: i i i i

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

Wyckoff_letters: i i i i


species: Co Mg


species: O Rh

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Cd F

species_pp: Cd F


species: Fe Tc

Wyckoff_letters_orig: a d


species: Co O

species_pp: Co O

crystal_class_orig: trigonal-pyramidal


species: Fe K


species: O Ti

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b


species: Ru Y


species: F Zn

species_pp: F Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: Li Zn


species: Mn Mo


species: Fe O

Wyckoff_letters_orig: a b b

crystal_class: diploidal


species: Mg O

crystal_class_orig: monoclinic-domatic

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

Wyckoff_site_symmetries_orig: m m m m m m m m m m m m

crystal_class: monoclinic-domatic

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

Wyckoff_site_symmetries: m m m m m m m m m m m m


species: F Ir

species_pp: F Ir

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Li O

sg:
Pbcn #60
Cmcm #63
Cmcm #63

sg2:
Pbcn #60
Pbcn #60
Cmcm #63


species: F Mn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Ni O

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Hg

species_pp: F Hg

Wyckoff_letters_orig: b b c a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b c a a a


species: Cu Y

crystal_class: ditetragonal-dipyramidal


species: I Tc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Hf N

Wyckoff_letters_orig: c c


species: Ca Ni

crystal_class: ditrigonal-scalahedral


species: Ag Re

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: K Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cs Pb


species: Fe I


species: Co Li


species: O Sn

species_pp: O Sn


crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: O Sc


species: Pt Re

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: I Nb


species: Mg O

Wyckoff_letters_orig: i i

Wyckoff_letters: c c


species: Li Tc

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: La V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pt Tc


species: Ca Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Re Ta


species: Ag La

species_pp: Ag La


species: Mn O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I V


species: Nb O

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal


species: Ca Cr

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Ca Co

Wyckoff_letters_orig: c i

Wyckoff_letters: b c


species: Mg Se


species: Ti Zr


species: F Fe


species: Cr Mg

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Pb Te

crystal_class_orig: diploidal


species: Cd O


species: Ag Nb

crystal_class_orig: dihexagonal-pyramidal


species: Ca Mg


species: O Tb


species: I Mg


species: Cu F

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: O Sc

crystal_class_orig: ditetragonal-dipyramidal


species: O Tc

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e


species: Mg O

crystal_class_orig: ditrigonal-scalahedral


species: Fe V


species: Ti V

sg:
Pnnm #58
Immm #71
Immm #71


species: Ca Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ta Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Ni

crystal_class_orig: hexoctahedral


species: Mg Te


species: Cd Nb

Wyckoff_letters_orig: b c


species: O V

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: O Sn

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Co Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Fe O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: O Yb

species_pp: O Yb

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hg Pt

species_pp: Hg Pt

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cl Ti

Wyckoff_letters_orig: g g g g h h

Wyckoff_letters_orig: a g h

Wyckoff_letters: g g g g h h

Wyckoff_letters: a g h


species: Mg Se


species: Nb Pt


species: Cd O


species: O Zr


crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: f g j i

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: f g j i


species: O Ta

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pb Rb


species: Co Fe

Wyckoff_letters_orig: c d


species: Co Cr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Mn


species: Cu Ni


species: Cu Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Mo

Wyckoff_letters: c d


species: Mo Ti

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Ni Zn

Wyckoff_letters: c d d


species: V W


species: Co Cu


species: Co Mn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co Mo


species: Co V


species: Cu Fe

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Ti


species: Fe Mo


species: Mn W


species: Ni V


species: Ca Cl


species: Hg Te

species_pp: Hg Te


species: Hg Ho


species: Ca Ta

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: K Nb

Wyckoff_letters: d g


species: Mg Ta


species: Nb Pb


species: Rb Ta


species: Cs Li


species: Hg Li


species: Ce O

species_pp: Ce O


species: O Pr

species_pp: O Pr

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: e g

Wyckoff_letters: b e


species: Pr V


species: Cu Nd


species: Mn Sm


species: Pm Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ni Sm


species: Eu Pr

species_pp: Eu Pr


species: Gd V


species: Ag I

species_pp: Ag I


species: Be I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ga I

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 I

species_pp: Hg I

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: I In


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Sr

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Cd Re

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: La Ni

Wyckoff_letters: a d


species: Ru W

crystal_class: hexoctahedral


species: Au Re


species: La Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Os Y

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo Ta


species: Ag Cr


species: Au Fe


species: Cd Sc


species: Cu Pd


species: Ni Pt

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Ta W


species: Mn Zr


species: Co Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Zr


species: Hg Zr


species: O Rb


species: Mn Pr

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


Wyckoff_letters: d g


species: Sc Ti


species: Sc Zn


species: Dy V


species: Hf Ni

Wyckoff_letters_orig: a h


species: Cr I

Wyckoff_letters_orig: e e


species: I K

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: a c e


Wyckoff_letters_orig: i i i i


species: I Li


species: I Rb


species: I Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: h h i

Wyckoff_letters: h h i


species: Hg I


species: Os Ta


species: Re Tc

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu I

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c


species: I Zn

species_pp: I Zn

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Mn Tc


species: Mo Re


species: Pt Ti


species: Y Zn


species: Hg Rh

Wyckoff_letters_orig: a d


species: Re Ta


species: Au Cr


species: Pd Ti


species: Cr Tc

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: La Tc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Sc Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g


species: Cr Ir

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hg Ta


species: Tc Zn


species: Mo Nb

Wyckoff_letters_orig: a h


species: Nb W


species: Ta Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: W Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hf Nb

Wyckoff_letters_orig: a c


species: Hf V


species: Mo Zr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb Ta

Wyckoff_letters: a d


species: Os Pt

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Au Pd


species: Ba S

crystal_class_orig: orthorhombic-sphenoidal


species: Ho Ti

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O Sn

sg:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Au Pb

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ge S

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: Hg V

Wyckoff_letters: a c


species: Nb Ni

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d


species: Mn Pt

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ag Fe


species: Au Mn


species: Mn N


species: Ag Sc


species: Mo Re


species: Ir Re


species: F Ti

Wyckoff_letters_orig: e f g g g

Wyckoff_letters: e f g g g


species: K Tl

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Mn


species: Fe Re


species: Cr Fe


species: I Ni


species: Cr K


species: O Pr


species: O Ti

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

Wyckoff_letters_orig: i i i i i i

Wyckoff_site_symmetries_orig: m m m m m m m m m m m

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

Wyckoff_letters: i i i i i i

Wyckoff_site_symmetries: m m m m m m m m m m m


species: Ga Tb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c l

Wyckoff_letters: a h

Wyckoff_letters: c l


species: Hf Os


species: Co Mg


species: Nb Tl


species: Cu Mg


species: Pb S


species: C Eu

species_pp: C Eu


species: O Sc

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: Fe Mg

crystal_class_orig: diploidal


species: Ca Cl

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: O Zr


species: Ca Mn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a c


species: Ca F

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Mg Si


species: O Os

Wyckoff_letters_orig: d d d


species: O Sn

Wyckoff_letters_orig: i i j k

Wyckoff_letters: i i j k


species: Cd Os

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Li Mn


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: F Zn

species_pp: F Zn


species: Fe Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Li

crystal_class_orig: hexoctahedral


species: Mo W


Wyckoff_letters: i i i i i

Wyckoff_letters: i i i


species: F Mn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: O Ti

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe K

crystal_class_orig: orthorhombic-bipyramidal


species: Ba Si

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c

Wyckoff_letters: c c d


species: O Sr

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a a b c e


species: Co Ru

crystal_class_orig: dihexagonal-dipyramidal


species: Lu Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Nb

crystal_class: diploidal


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: f f f f

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: f f f f


species: Bi I

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Li Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O Re

crystal_class_orig: monoclinic-prismatic

crystal_class: ditetragonal-dipyramidal


species: Cd O

species_pp: Cd O


species: Zn Zr


species: Co F

species_pp: Co F


species: F Ti

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Co O

species_pp: Co O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a c i i i i i i i i i

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

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

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


species: La Nb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni Tc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Ti


species: Fe Li

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Cd Cu


species: As Zr


species: O Pt

species_pp: O Pt


species: Gd H

species_pp: Gd H

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a b b c c

Wyckoff_letters: a b b c c


species: F Y

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mn Ru


species: Pb S


species: O W

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: I Tc

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


sg:
Cmmm #65
Cmmm #65
Cmmm #65


species: O Sr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mo Ti


species: Ca Ni

crystal_class: ditrigonal-scalahedral


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Fe O


species: Ir La

species_pp: Ir La

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Au Mo

crystal_class: dihexagonal-dipyramidal


species: O Zn

species_pp: O Zn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Pd Zn


species: Sn Sr


species: F Ni


species: O Si

species_pp: O Si

Wyckoff_letters_orig: a b d


species: Ca Co


species: Cr O


species: C O

species_pp: C O

Wyckoff_letters_orig: a c c c d

Wyckoff_letters_orig: c c d

Wyckoff_letters: a c c c d

Wyckoff_letters: c c d


species: Nb O


species: Bi O

crystal_class_orig: monoclinic-domatic


species: F V

Wyckoff_letters_orig: d e


species: K O


species: Li Ti


species: Co Ti


species: Pd S


species: Ga Pt

Wyckoff_letters_orig: e g h

Wyckoff_letters: e g h


species: P Ta

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g


species: O Zn


species: Er Sb


species: O Ti

crystal_class_orig: diploidal


species: La Ti

crystal_class_orig: ditetragonal-dipyramidal


species: K Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: O Ta


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I V

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: Ta V

crystal_class: tetrahedral


species: Fe K

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: F Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ru Y

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O W

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: H Rh

crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: f f


Wyckoff_letters_orig: e h h h j j

Wyckoff_letters: e h h h j j


species: Re Tc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb O

sg:
Pmm2 #25
Pmmm #47
Pmmm #47

sg2:
Pmm2 #25
Pmmm #47
Pmmm #47

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: d k


species: I Mn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: d h

Wyckoff_letters: h g

Wyckoff_letters: c g


Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a


species: Hg Ir

species_pp: Hg Ir


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: C Ni


species: Cu Ga


species: I K


species: O Ru


species: Pt V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: S Sn

species_pp: S Sn


species: Li Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cr Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Mn


species: Ca K


species: K Pb


species: O Ta


Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i


species: Cr Fe

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Mn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co W


species: Cr V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Fe


species: Cu Mo


species: Mn Ti


species: Mo Ni

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ni V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co Zn

species_pp: Co Zn

crystal_class_orig: dihexagonal-pyramidal


species: Cr Mo


species: Fe W

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Mo


species: Mn Ni

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ti W


species: V W

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cl Ta

Wyckoff_letters_orig: e f


species: Ca Cl


species: Hg Ho


species: Hg In


species: Hg Li


crystal_class_orig: dihexagonal-dipyramidal


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Yb

species_pp: Hg Yb


species: Cs Mg


species: Li Rb


species: Rb Ta


species: K Ta


species: Cl Nb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cl Pb

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: F Nb


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cl Rb

sg2:
Pnma #62
Pmmn #59
I4/mmm #139


species: Ce O

species_pp: Ce O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Dy Zn


species: Nd Zn

species_pp: Nd Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ce Fe


species: Fe Tb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cl Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Dy Gd


species: Ce Co

species_pp: Ce Co

Wyckoff_letters_orig: a c


species: Er Fe

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Eu Mn

Wyckoff_letters: a c


species: Gd Ni


species: Ho Sm


species: Sm Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Tb Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d