species: O Sr

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a

Wyckoff_site_symmetries: m m m m m m


species: I V

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

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_site_symmetries_orig: m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: 2/m m m m m

Wyckoff_site_symmetries: m m m


species: Cd Nb

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

lattice_system_orig: cubic

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Li Pb

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: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Mg Pb

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

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

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX


species: Pb Rb

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: c c

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: c c


species: Cr V


species: Mn V

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: a d

Wyckoff_letters: a d

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: V W

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Co Mo


species: Co W

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Co Zn

species_pp: Co Zn

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

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: Fe Mn

Wyckoff_letters_orig: c d e

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Wyckoff_letters: c d e


species: Fe Mo

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Fe Ni


species: Fe W

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: Mo Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni Ti


species: Ni V


species: Ni W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: V Zn


Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

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


species: Cr Fe


species: Cr Zn


species: Cu Ti


species: Fe V

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Mn V


species: Mo Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i

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


species: Ti V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ti Zn


species: W Zn


species: F Nb


crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric


species: F Pb

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Wyckoff_letters: a b


species: O Pb


crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Hg Mg


Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI


species: Hg Se

species_pp: Hg Se


species: Ca Nb


species: Li Rb

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: Cl Nb

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e e e

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e e e


crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Hg Li


species: Ce O

species_pp: Ce O

crystal_class_orig: tetragonal-disphenoidal

point_group_structure_orig: cyclic

Wyckoff_letters_orig: g g

crystal_class: tetragonal-scalenoidal


species: O Yb

species_pp: O Yb

crystal_class_orig: ditetragonal-pyramidal

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


species: Cr Nd


species: Ti Yb


species: Cr Pr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Sm


species: Mn Ti


Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Pr Zn

species_pp: Pr Zn


species: Cu Sm


species: Ce V

Egap_DOS_type: metal

Wyckoff_letters_orig: a d


species: Cr Ho

Wyckoff_letters_orig: b g


species: Fe Nd


species: Gd Sm


species: I Sr

Egap_DOS_type: insulator

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: I Zn

species_pp: I Zn

sg:
Ibca #73
Ibca #73
Ibca #73

Wyckoff_letters_orig: f f e e f f f f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f e e f f f f f

Wyckoff_letters: f f f f


species: Ag Cu

Wyckoff_letters_orig: a c


species: Er Tb


species: Hg Pt

species_pp: Hg Pt

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Mo Ta

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

point_group_structure: symmetric

Wyckoff_letters: c e d


species: Pd Tc

Wyckoff_letters_orig: g f

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Ta Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mn Rh

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn Sc


species: Mn Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Au Co

species_pp: Au Co


species: Rh Y

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Cu

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB


species: Co Pd

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cu Y


species: Cd Hg

species_pp: Cd Hg

Wyckoff_letters: a c


species: Nb Sc


species: Ag Cr

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Au Zn

species_pp: Au Zn


species: Cd Nb

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu Rh


species: O Sn

species_pp: O Sn

crystal_class_orig: tetragonal-trapezoidal


species: Rh Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Ni


species: Rh Sc

Wyckoff_letters_orig: a d


species: Ti Y

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: V Y


species: Cd Rh


species: Cd Sc

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Co Ru

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cr Hf

Bravais_lattice_orig: CUB

lattice_variation_orig: 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

point_group_Schoenflies: T

point_group_structure: alternating


species: Ni Pm


species: Ca I

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


crystal_class_orig: rhombohedral

crystal_class: rhombohedral

point_group_structure: cyclic


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: h k

Wyckoff_letters: a b

Wyckoff_letters: h k


species: Cr I

Egap_DOS_type: half-metal

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: Fe I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: e e

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m

Wyckoff_site_symmetries: m m m m


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I K


species: I Li

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: i i i i


species: I Mg

crystal_class_orig: monoclinic-prismatic

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

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


species: I Zr


species: Cd I

species_pp: Cd I

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: c d d d

Wyckoff_letters: a b d

Wyckoff_letters: c d d d


species: I In

Wyckoff_letters_orig: c f g h

Wyckoff_letters: c f g h

Wyckoff_letters: a d


species: Ba I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a b

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a b

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


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F V

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: a a a a a a a a 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

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

Wyckoff_letters: a a a a


species: Gd Nd

species_pp: Gd Nd

crystal_class_orig: ditetragonal-dipyramidal


species: La Os

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Sr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cs I

crystal_class_orig: orthorhombic-bipyramidal


species: Co Hg

species_pp: Co Hg


species: Co Ru


species: Hg Ru

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Re Zr

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: Tc Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Tc

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: N O

species_pp: N O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Te Zr


species: La Pt

species_pp: La Pt


species: Ni Re

crystal_class_orig: tetrahedral


species: Cd La

species_pp: Cd La

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pt Ta

crystal_class_orig: hexoctahedral


species: O V

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Ta Zn

Wyckoff_letters_orig: b d

crystal_class: hexoctahedral

Wyckoff_letters: b d


species: La V


species: Rh Ti


species: Mo Zr


species: Ta Ti


species: Cd Nb


species: Hf Mo

crystal_class: ditrigonal-scalahedral


species: Nb Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb Ti


species: Ti Zr

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: Sb Se

species_pp: Sb Se

Wyckoff_letters_orig: b e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b e


species: Os Rh


species: Pd Re


species: Ni Sc


species: Sc Tc


species: Tc Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: I V


species: K Li


species: Ce H

species_pp: Ce H


species: Ir O

species_pp: Ir O


species: Os Pt

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Zn

species_pp: F Zn

crystal_class_orig: orthorhombic-pyramidal

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b a


species: Cr F

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Co Li

crystal_class: dihexagonal-dipyramidal


species: Li Ti


species: O Ti


species: Ir Ru


species: Cu Mg

Wyckoff_letters: g h


species: I Ti

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b e

Wyckoff_letters: e e

Wyckoff_letters: a b e


species: Er Zn

Wyckoff_letters_orig: a f g h k

Wyckoff_letters: a f g h k


species: Cr O


species: Ca V


species: Ge K

Wyckoff_letters_orig: a e g

Wyckoff_letters_orig: b c

Wyckoff_letters: a e g

Wyckoff_letters: b c


species: P Si

species_pp: P Si

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g g h h

Wyckoff_letters_orig: g h

Wyckoff_letters: g g h h


species: Cr Cu


species: Ca Li

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Li O

crystal_class: monoclinic-prismatic


species: K O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ga Ni

Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: I Nb


species: C Li

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a b e e

Wyckoff_letters: a b e e


species: Cu Ta

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: As Ni


species: O Sr

crystal_class_orig: diploidal

crystal_class: diploidal


species: Fe I


species: Mo Sc


species: Cd Hf

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Nb Ni


species: O Ta

Wyckoff_letters_orig: a d e e

Wyckoff_letters: c e


species: Ca V


species: O Sc

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

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


species: Fe O

crystal_class_orig: dihexagonal-pyramidal


species: Bi Cs


species: Ca Zn

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Pd


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Li O


species: Ho Ni

Wyckoff_letters_orig: a c c d h

Wyckoff_letters: a c c d h


species: Sn Te

species_pp: Sn Te

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m


species: Cu Li


species: Au Cd

species_pp: Au Cd


species: Pt Y


species: Bi O

Wyckoff_letters_orig: e e


species: Mg O


species: Cu Mg

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Tl

Wyckoff_letters_orig: h h h

Wyckoff_letters_orig: c e h

Wyckoff_letters: h h h

Wyckoff_letters: c e h


species: O Os

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: e a g


species: Al Zr


species: I Mg


species: O Sr

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a a


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: F Ti

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Ni Se


species: Li Ti


species: I Zn

species_pp: I Zn

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

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


species: Er O

crystal_class_orig: trigonal-trapezoidal


species: Lu Pb


species: Co Mn


species: Ca Ni


species: Cr Y


species: Fe Sn


species: I Nb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b


species: Fe Os


species: Ca Tc

Wyckoff_letters: e e


species: Ca Ti


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j

Wyckoff_letters: a h i

Wyckoff_site_symmetries: m m 1


species: In Mg


species: Hf W

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

Wyckoff_letters_orig: a f

Wyckoff_letters: a e

aflow_prototype_params_list_orig: a b/a c/a


species: Pr Te

species_pp: Pr Te


species: Cr F


species: Ca O


species: O Ru

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Mg S

crystal_class_orig: monoclinic-prismatic

aflow_prototype_params_list_orig: a b/a c/a beta y2


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Mg O

Wyckoff_letters_orig: b c e e g

Wyckoff_letters: b c e e g


species: Pb S


species: N S

species_pp: N S


species: Co K


species: Cd Pd

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: I Ti

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


species: Cr Hf


crystal_class_orig: ditrigonal-scalahedral


species: O Sr

Wyckoff_letters: i i


species: B Mn

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: F Fe

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i j j j

Wyckoff_letters: a i


species: Zn Zr

Wyckoff_letters_orig: a e

crystal_class: tetrahedral


species: Hg Rh


species: I Mn

Wyckoff_letters_orig: e e


species: Cl In


species: Ni Zr


species: Ca F


species: O Pt

species_pp: O Pt


species: Fe O

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: d e

Wyckoff_letters_orig: c d e

Wyckoff_letters: d e

Wyckoff_letters: c d e


species: Pb S


species: O W

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

Wyckoff_letters: a a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m m


species: Nb O


species: Cr O

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_letters: c b

Wyckoff_letters: a g f j

Wyckoff_site_symmetries: mmm mmm

Wyckoff_site_symmetries: mmm mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


species: Mn O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: O Ru

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Si

species_pp: O Si

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: a e f f f

Wyckoff_letters: f f


species: Bi Ti


species: Co O

species_pp: Co O


species: Re Zn

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


sg2:
Ibam #72
Fmmm #69
I4/mmm #139

Wyckoff_letters_orig: j j


species: O Xe

species_pp: O Xe

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Br Sr

crystal_class_orig: ditetragonal-dipyramidal


species: Mg Te

crystal_class: hexoctahedral


species: Li O

Wyckoff_letters_orig: a b


species: K P

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: h m

Wyckoff_letters: f g

Wyckoff_letters: h m


species: O Zr

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: O Sr

Wyckoff_letters_orig: a i i i i

Wyckoff_letters: a i i i i


species: Ni Rh

sg:
Pnnm #58
Immm #71
Immm #71


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: g h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: g h


species: Fe Nb


species: Ca Pb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Li Pb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mg Nb

crystal_class: ditrigonal-scalahedral


species: Pb Rb

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Cu

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

Wyckoff_letters_orig: c d


species: Cr W

crystal_class_orig: hexoctahedral


species: Co Fe


species: Cr Mn


species: Cu Ni


species: Mn Mo


species: Mn Ni


species: Mn W


species: Mo Ni

sg2:
Pnma #62
Pnma #62
Pnma #62

crystal_class: orthorhombic-bipyramidal


species: V Zn

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co Cr


species: Co V


Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a b/a c/a


species: Cu Ti


species: Cu Zn

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Fe Ti


species: Fe V

crystal_class: dihexagonal-dipyramidal


species: Mn Ti


species: Mn V


species: Mo V

Wyckoff_letters_orig: a l


species: O Pb

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hg Ho


species: Hg Se

species_pp: Hg Se

crystal_class_orig: diploidal


species: Ca Rb


species: Cs Mg

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Rb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Rb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cs Nb


species: Hg Li


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cl Nb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Cl Pb

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Co Ho


species: Dy Ti

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ce Dy


species: Gd Mn


species: Co Gd

species_pp: Co Gd


species: Er Ni


species: Nd Pr

species_pp: Nd Pr


species: Er Mn


species: Fe Nd


species: Co Nd

species_pp: Co Nd


species: Cr Nd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu Pr


species: Cu Sm


species: Ho Mn


species: Ho Sm


species: Mn Pr

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Nd Zn

species_pp: Nd Zn


species: Tb Ti


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

crystal_class: monoclinic-prismatic


species: Cs I


sg2:
Ibam #72
Ibam #72
Ibam #72


species: Hg I

species_pp: Hg I


species: I Si

species_pp: I Si

crystal_class: diploidal

Wyckoff_letters: c d


species: Cd Cs


species: Co Hf


species: Hf Mo

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ta V

Wyckoff_letters: a c


species: Ta Zr


species: Cr Hg


species: La Ta


species: La Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd Pd


species: Cr Tc


species: Fe Zr


species: Hf Ru

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Ir Zr


species: La Mo


species: Co Ru


species: Cu Hf

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Sc


species: Ir Pt

species_pp: Ir Pt


species: Ba O

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Cd Mn


species: Fe La


species: Cu Ru

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Nb Pt


species: Re Tc

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters: a f


species: Ho V


species: Mn Zr


species: Cu Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hg Mo

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co I

species_pp: Co I

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Cr I

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: a c f l

Wyckoff_letters: a c h p

Wyckoff_site_symmetries: mmm mmm 2mm ..m


sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: I K

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: I Li


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j

Wyckoff_letters: g i


species: I Ni


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d


species: I Sb

species_pp: I Sb


species: Hg I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Pb

Wyckoff_letters_orig: a a


species: Ru W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu I


species: I Zn

species_pp: I Zn

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e f


species: I Sr

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: Cs I


species: Hf Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd Pd


species: Nb V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nb Zr


species: Pt Rh

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ti Zr


species: Ir Re

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mn Pt

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d


species: Mo Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Nb Zn

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ir Mo


species: Os V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: V Y


species: Cd Ni


species: Cr Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pt Zn

species_pp: Pt Zn


species: Sc Zn

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Au Nb


species: Cr Y


species: Cu Os


species: Hf Mo


species: Hf Nb

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Hf Zr

Wyckoff_letters: a d


species: Mo Ta

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ta W

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Ta Zr


species: Hf V


species: Nb Ta


species: Nb V


species: Nb Zr


species: V Zr


species: Ni Y


species: Os W


species: La Pt

species_pp: La Pt


species: Tc W


species: Ag Se


species: Ca Zn


species: Mg O


species: Al Tb

Wyckoff_letters_orig: d f g

Wyckoff_letters: d f g


species: F Mn

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Se Ta


species: Ca Fe

Wyckoff_letters: a h


species: O W

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c d e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c d e


species: I V


species: Nb O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: O Rh


species: Fe O

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i i i i


species: Bi Te

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ir O

species_pp: Ir O


species: F Ti

Wyckoff_letters_orig: k k l

Wyckoff_letters: k k l


species: Ba Si

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: I Nb

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: Mg Te


species: Ru V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: H V

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_site_symmetries_orig: m m m m m m m m

Wyckoff_letters: e e e e e e e e

Wyckoff_site_symmetries: m m m m m m m m


species: Co Mg


species: I Mg


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li V


species: Rh Si

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c

Wyckoff_letters: c c

Wyckoff_letters: b c


species: Re Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Tb


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: c d d d

Wyckoff_letters: a b d

Wyckoff_letters: c d d d


species: Si Ta

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


sg2:
Ibam #72
Ibam #72
I4/mcm #140


species: Si Te

species_pp: Si Te


species: Cu K

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters: a e


species: Ca Ni


species: Au La

species_pp: Au La

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu O


Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Se Sn

species_pp: Se Sn


species: Ir O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a


species: C Rb


species: N Pt

species_pp: N Pt


species: O Os


species: C Ir

species_pp: C Ir


species: S Zn

species_pp: S Zn

sg:
Pmmn #59
Pmmn #59
P4/nmm #129

sg2:
Pmmn #59
Pmmn #59
P4/nmm #129


species: O Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Ge O

crystal_class_orig: orthorhombic-bipyramidal


species: I Mn

Wyckoff_letters_orig: b d h

Wyckoff_letters: b d h


species: Pd Y

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e


species: Er O


species: La Y


species: Au Y


species: Eu P

species_pp: Eu P


species: Mg O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Li

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Co Nb


species: O Sn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu F


species: Mg Si

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Li Mg


species: Fe K

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Nb Rh


species: K Li

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Li O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: B Re

Wyckoff_letters_orig: c f


species: O V


species: H V

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c


species: Eu Ir

species_pp: Eu Ir


species: Cu Se


species: Co Sb

species_pp: Co Sb


species: Ca Tc


Wyckoff_letters_orig: a b

Wyckoff_letters: b c


Wyckoff_letters_orig: a e i

Wyckoff_letters: e i


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: I Mg


species: Cr Pt


Wyckoff_letters_orig: g i i i

Wyckoff_letters_orig: i i j j j

Wyckoff_site_symmetries_orig: 2 m m m

Wyckoff_letters: g i i i

Wyckoff_letters: i i j j j

Wyckoff_site_symmetries: 2 m m m


species: Mo O

Wyckoff_letters_orig: b c

crystal_class: orthorhombic-sphenoidal


species: Re Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ce Co

species_pp: Ce Co

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a c c d h

Wyckoff_letters: c c

Wyckoff_letters: a c c d h


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Li Zn

crystal_class_orig: hexoctahedral


species: Mn O

Wyckoff_letters: b a c


species: Li V


species: I Mn

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Ca Mn


species: Cr Li

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Ni


species: Cr Ge

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ca O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Mg Te


species: I Ti

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ca Li


species: Os Ta


species: Ba C

crystal_class_orig: dihexagonal-pyramidal


species: Mn N


species: N Sr


species: F Ti

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: Li O


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Hg V


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Pt

species_pp: O Pt


species: O Tc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cl N

species_pp: Cl N

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: I Mn


species: Co Mg

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cr Fe

crystal_class: tetragonal-dipyramidal


species: F Fe

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe Li


Wyckoff_letters_orig: a d

crystal_class: hexoctahedral

Wyckoff_letters: a d


species: Co O

species_pp: Co O

crystal_class_orig: triclinic-pedial

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

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

crystal_class: triclinic-pedial

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


species: Co Ni

crystal_class: ditetragonal-dipyramidal


species: Co W

crystal_class_orig: diploidal


species: Cr Cu

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Ni


species: Fe W


species: Mn Ti


species: Mo Ni

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mo W


species: Ni V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ti V


species: W Zn


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: c d d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c d d


Wyckoff_letters_orig: c d


species: Cr Ti


species: Cr V

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Cu Fe

Wyckoff_letters_orig: a c


species: Fe Ti


species: Fe V


species: Mn W


species: Mn Zn


species: Mo V


species: Cl Mg


species: Ca Cl


species: F Nb

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Hg Se

species_pp: Hg Se


species: Hg Ho

Wyckoff_letters_orig: a e


species: Hg In


species: Hg K


species: Hg Li


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ca Cs

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K Rb


species: Mg Ta


species: Pb Ta


species: F Pb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ce O

species_pp: Ce O


species: O Sm

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a


species: Ce Cu


species: Sm V

Wyckoff_letters: a c


species: Eu Ho


species: Ce Pr

species_pp: Ce Pr


species: Cu Er

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ce Cr


species: Co Nd

species_pp: Co Nd


species: Dy Ni

Wyckoff_letters_orig: a d


species: Dy Ti


species: Er Ni

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Er Pr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn Nd

Wyckoff_letters_orig: g h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h


species: Ni Tb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Sm Zn


species: Ag I

species_pp: Ag I


species: I In

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i


species: I Ni


species: I Pb


species: Hf Ta


species: Mn Os


species: Ni Pd


species: O Zr

Wyckoff_letters_orig: d c


species: Pt Ru


species: Ta V


species: Co La

species_pp: Co La


species: Cu Zr


species: Hg Mn


species: La Zn

species_pp: La Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: O V

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

Wyckoff_letters: i i i i i


species: Cd Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mn Ta


species: Ta Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni Re

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ni Zr


species: Re Ru


species: Cd Ni

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Nb Zr


species: Pt W


species: Cd Zr


Wyckoff_letters: a d


species: Fe Pt


species: Hg Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Fe Pd

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Hg Mo


species: Re Ta


species: W Y

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Ca I

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4


species: Co I

species_pp: Co I


sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


crystal_class_orig: ditrigonal-scalahedral


species: Cr I


Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: a e

Wyckoff_letters: e e


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe I

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: I K

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: d i i

Wyckoff_site_symmetries: 2/m m m


species: I Li

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


crystal_class: diploidal


species: I Ni

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


sg2:
Pnma #62
Pnma #62
Pmmn #59

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: d e b a


species: Be I

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Rb


species: Cd I

species_pp: Cd I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n

Wyckoff_letters: d a


species: I Sn

species_pp: I Sn

sg:
Pnma #62
Pnma #62
Cmce #64

sg2:
Pnma #62
Pnma #62
Cmce #64


species: Hg I

species_pp: Hg I

crystal_class: tetragonal-scalenoidal


species: I Pb


Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Cu Re

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cu Zr


species: O Zr

Wyckoff_letters_orig: i i j k

Wyckoff_letters: i i j k


species: Cu I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Cr Os

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Os


species: Pt Y


species: W Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mo Sc

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Re W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ru Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb Os


species: Re Tc


species: Rh W


species: Ir W


species: Pd Zr


species: S Zn

species_pp: S Zn

aflow_prototype_params_list_orig: a b/a c/a y2


species: Tc Y


species: Cd Fe

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Tc Zn


species: Ag Cu


species: Ta Zr


species: Cr Pt


species: Nb V

crystal_class_orig: tetragonal-dipyramidal


species: Hf Mo

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hf W


species: Mo Zr

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Nb W


species: Ti Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: V Zr


species: La Mn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mn Tc


species: Rh Y


species: Sb Se

species_pp: Sb Se

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Cr Tc


species: Ir Mn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mn Pd

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ir W


species: Hf Os


species: Pd Ta


species: Co Re


species: Cr Dy


species: Mn Zr

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: F Fe

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: O Pt

species_pp: O Pt

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: La Pt

species_pp: La Pt

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ir Ni


species: Fe K


species: Nb Tc


species: O W


species: Hg Ni


species: Cu Li


species: Ca O


species: Cu Ir

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Li O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a b c e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a b c e


species: Fe V

crystal_class_orig: ditetragonal-dipyramidal


species: Co O

species_pp: Co O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a l o

Wyckoff_letters_orig: d k n

Wyckoff_letters: a l o

Wyckoff_letters: d k n


species: O Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Sn Te

species_pp: Sn Te

crystal_class_orig: trigonal-trapezoidal


species: Nb O


species: O Sn

species_pp: O Sn


species: Mg O

Wyckoff_letters_orig: e e e

Wyckoff_letters: c d


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ho O


species: K Li


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ta Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: I Tc


species: C Nb

Wyckoff_letters_orig: a f

Wyckoff_letters: a f

Wyckoff_letters: b f


species: Li V


species: Hg In


species: Ge Te


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: c d


species: Al Br

species_pp: Al Br

Wyckoff_letters: e e e


species: Cd Ni

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Zr

crystal_class_orig: hexoctahedral


species: Cu O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: Fe O

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: Ca K


species: O Ti

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: O Sc

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Cr P

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Hf Ru


species: Cu Mn


species: I V

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Mn Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Tc

Wyckoff_letters: c d


species: Ag N

species_pp: Ag N

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Pb Te

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: I Mn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


species: Mg O


species: S Sn

species_pp: S Sn

crystal_class_orig: tetrahedral


species: Fe Hg

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nb O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cu Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg Se


species: I Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


species: Hg Rh

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O Sn


species: Cr O


species: O Pd


species: Cd Zr

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


species: F V

Wyckoff_letters: c c


species: I Nb

Wyckoff_letters_orig: c c


species: O W

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: c e

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: c e


sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: a c e

Wyckoff_letters: h i


species: Co F

species_pp: Co F

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: F Fe

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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


species: Hf Tc

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: K Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Li

crystal_class: hexoctahedral


species: Cd Cs

crystal_class: tetragonal-dipyramidal


species: O V

Wyckoff_letters_orig: a d g h

crystal_class: tetrahedral

Wyckoff_letters: d c


species: Ta W

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: Cu F

Wyckoff_letters_orig: a a a b b

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

Wyckoff_letters: a a a b b

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


species: Cr Zn

crystal_class_orig: dihexagonal-pyramidal


species: Li Mg

crystal_class: orthorhombic-bipyramidal


Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: Cr Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: c c c


species: Hf Hg


species: I Zn

species_pp: I Zn


species: W Zn

crystal_class_orig: diploidal


species: I Tc

Wyckoff_letters_orig: a c k

crystal_class: dihexagonal-dipyramidal


species: Nb Zn


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: O Zn

species_pp: O Zn

sg:
Pbcn #60
Pbcn #60
Pbcn #60


species: Ca Co


species: Bi Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Rh Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: K O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

Wyckoff_letters: a d i


species: I Mn

Wyckoff_letters_orig: e f


species: Cu F

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a c b

Wyckoff_letters_orig: d d


species: Cd Cs

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mn Sc

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: La Ta


species: V W

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Se Zn

species_pp: Se Zn

crystal_class: trigonal-pyramidal


species: Pt Y


species: Ca Ti


species: I Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Cd O


species: Cu Os


species: Li V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Bi O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: O Sn

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


species: Te Zn

species_pp: Te Zn


species: F V

crystal_class_orig: ditrigonal-dipyramidal


species: Sn Y

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Cr

crystal_class_orig: ditrigonal-scalahedral


species: Li Zn

crystal_class: diploidal


species: Ag Bi


species: O Zn


species: Ag O

species_pp: Ag O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hf Rh

crystal_class_orig: ditetragonal-dipyramidal


species: Cu Mo

crystal_class_orig: dihexagonal-dipyramidal


species: S Sn


crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Ni V


species: As Rh

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: F Zr

crystal_class_orig: hexagonal-pyramidal


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: a c


species: F Mn

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Cr K

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Cu K

crystal_class_orig: hexoctahedral


species: V Zr


species: Al Ho

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Fe Re

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Ag Tc


species: Fe W


species: O Sr

sg:
Aem2 #39
Cmme #67
Cmme #67

sg2:
Aem2 #39
Cmme #67
Cmme #67

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c d

Wyckoff_letters: g g m


species: Li Ni


species: O Sb

species_pp: O Sb


species: Co Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: K Pb

crystal_class_orig: tetrahedral


species: Mg Pb

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


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mg Nb


species: Mn V


species: Co Cu

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co Fe

Wyckoff_letters: a c


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co Mn

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cr Ni

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Cr W


species: Cu V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cu Zn


species: Ni V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h


species: Cr Fe


species: Cr Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Cu Ti


species: Cu W


species: Fe Mn


species: Fe Ni


species: Fe V


sg:
Pnma #62
Pnma #62
Pnma #62


species: Mn Ni


species: Mn V


species: Ti W


species: Er Hg


species: Hg Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


species: Hg In


sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hg S

species_pp: Hg S


species: Cs Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li Rb

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Nb Rb


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Ta

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: F Pb

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e


species: Gd O

species_pp: Gd O

crystal_class_orig: ditrigonal-pyramidal


species: Fe Sm


species: Er Fe


species: Nd Pm

species_pp: Nd Pm


species: Cr Ho


species: F Nb

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

sg2:
Immm #71
Immm #71
Immm #71


species: F Ta

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co Ho


species: Cu Pr


species: Pm Tb


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


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: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Ag Zr

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Cd Re


species: Cu F

Wyckoff_letters_orig: a b c c

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: a b c c

Wyckoff_letters: c c c c c c


species: Fe Pd


species: Fe Pt

crystal_class_orig: dihexagonal-pyramidal


species: Hf Pd


species: Hf W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ir Ru


species: Pd Pt


species: Au La

species_pp: Au La


species: Ir Sc


species: Ni Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ag Sc


species: Cd Tc


species: Cu Rh

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Re


species: Rh Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Pt Zn

species_pp: Pt Zn

Wyckoff_letters_orig: b d


species: Cr Re

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Mo Pt

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Nb Pd

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Pd Sc

crystal_class_orig: diploidal


species: Al O

species_pp: Al O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i


species: Ir Rh


species: Ir V


species: Ag Hg

species_pp: Ag Hg


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: d i

Wyckoff_site_symmetries: 2/m m m m


sg2:
Cmce #64
Pmma #51
Pmma #51


species: I Li

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


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


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: I Mg

crystal_class: hexoctahedral


crystal_class_orig: monoclinic-domatic

aflow_prototype_params_list_relax: a b/a c/a beta


sg:
Immm #71
Immm #71
Immm #71


species: I Ni


species: I Si

species_pp: I Si

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f f f f f

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f f f f

Wyckoff_letters: f f f


species: I Zr

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ag I

species_pp: Ag I

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

crystal_class_orig: orthorhombic-bipyramidal


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Nd Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Cu I

sg:
Pbcn #60
Pbcn #60
Ibam #72

sg2:
Pbcn #60
Pbcn #60
Ibam #72


sg:
Pnnm #58
Pnnm #58
Pnnm #58


Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a b c c c c


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Al I

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a


species: Ga I

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: I Sr

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Nb Ta


species: Re Zn

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: b c


species: Hg Y

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: La Rh


species: Pd W


species: Sc Ta

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: Mn Sc

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Cr

Wyckoff_letters_orig: a f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a f


species: Co Ir

species_pp: Co Ir


species: Cs Pb

Wyckoff_letters_orig: h i

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h i


species: Re Y


species: Ru W


species: Au Ru

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Dy Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b g

Wyckoff_letters: d g


species: La Mo


species: Mo Nb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ta V


species: V Zr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr Rh


species: Mo Zr

crystal_class_orig: tetrahedral


species: Cr Re


species: O Re

Wyckoff_letters_orig: a a


species: Cr Hg


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr Zr


species: Fe Hf

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: La Sc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hf Rh

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ir Rh


species: Cr F

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: N Ta


species: K O


species: Nb O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: O V

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a b

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a b


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Re Ti


species: Au Zn

species_pp: Au Zn


species: O W

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b


species: Ca Mg

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: F Sr

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b

Wyckoff_letters: d a


species: O Ti

crystal_class: monoclinic-prismatic


species: O Ru

crystal_class_orig: dihexagonal-pyramidal


species: Cr Ta


species: O Sc


species: Cu Ru


species: As Hf

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca K


species: Mn Os


species: F V


species: Hg Sc

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O Zr

sg:
Ibam #72
Ibam #72
I4/mcm #140

sg2:
Ibam #72
Ibam #72
I4/mcm #140


species: Cd Mo


crystal_class_orig: orthorhombic-pyramidal


species: Ca Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: S Sn

species_pp: S Sn


species: Br Ca


species: K Li


species: Ge O

Wyckoff_letters_orig: a a

Wyckoff_letters: c d


species: Ca Fe

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Zn

species_pp: O Zn

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O W

sg:
Pnnn #48
Pnnn #48
Pnnn #48

sg2:
Pnnn #48
Pnnn #48
Pnnn #48

Wyckoff_letters_orig: e g h i

Wyckoff_letters: e g h i


species: O Ti

crystal_class_orig: triclinic-pinacoidal

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

Wyckoff_letters_orig: i i i i i i i i

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

Wyckoff_letters: i i i i i i i i


species: Cd O

species_pp: Cd O

sg2:
Pnma #62
Pnma #62
Cmce #64


species: Cr Os


species: Cu K

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hf Zn


species: Nb O

Wyckoff_letters_orig: a d


species: Rb Te


species: O Tc

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: K Mg


species: Ca O

Wyckoff_letters_orig: h g o

Wyckoff_letters: g h o


species: As Rh


species: Li O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f

Wyckoff_letters: c f f


species: Br W

Wyckoff_letters_orig: i i i j j j j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j j j j

Wyckoff_letters: g j


species: Ag Au

species_pp: Ag Au


species: Sc Ti

Wyckoff_letters: c e d


species: O V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cd Hf


species: B S


species: Fe O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: a e

Wyckoff_letters: f f


species: Cs Pb


species: Rh Ru

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Fe Mn


species: Cu F


species: Bi Y


species: Yb Zn

species_pp: Yb Zn

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: Co Mg


species: Mn O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a k

Wyckoff_letters_orig: k l

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a k

Wyckoff_letters: k l


species: O Sc

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Cl Si

species_pp: Cl Si

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Sn Te

species_pp: Sn Te


species: Ni Pd


species: I Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu O


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b c


species: Cr Rh


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Nb Zr

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Rh Ti

crystal_class_orig: orthorhombic-bipyramidal


species: Li Ni

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O W

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g g g g g h h h

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g g g h h h

Wyckoff_letters: g g g


sg:
Pnnm #58
Pnnm #58
Immm #71


species: Co O

species_pp: Co O


species: In O

crystal_class_orig: diploidal

crystal_class: diploidal


species: O Tc


species: Ca N


species: Ni O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: F V

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

Wyckoff_letters_orig: b c c c c c c

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

Wyckoff_letters: b c c c c c c


species: F Mg

crystal_class_orig: ditrigonal-scalahedral


species: Li Tc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: F Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Cu Li


species: Al O

species_pp: Al O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a


species: O Pb


species: Ni W

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: I Tc

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Ca Cu

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a d


species: V Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a d d c e d c e d c d e c e d d a d c c d c e a c c d a c a

Wyckoff_letters_orig: d d a e d c e c d d c e c e d d a d c c d c e a c c d a c a

crystal_class: ditetragonal-pyramidal


species: I V


species: Dy Te

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Zn

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


species: Mn O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: S Ti


species: F Li

Wyckoff_letters_orig: e e


species: Cd Cs


species: La Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co Nb


species: Ca Tc


species: Cd Mn

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pr Pt

species_pp: Pr Pt

sg2:
Pnma #62
Cmmm #65
P4/mmm #123


species: Rh Sn

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: N Zr

Wyckoff_letters_orig: a g h

Wyckoff_letters_orig: i j

Wyckoff_letters: a g h

Wyckoff_letters: i j


species: La Rh

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: Ca O


species: F Fe


species: Bi Ti


species: Mo P

Wyckoff_letters_orig: c c c c c c c c

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c c c c c c c

Wyckoff_letters: c c c c c c


species: Fe Se


species: Ag Mo


species: O Sc


species: Ca Mg


species: Ni O

crystal_class: tetragonal-scalenoidal


species: Ca Ni

Wyckoff_letters_orig: a d

crystal_class: hexoctahedral

Wyckoff_letters: a d


species: Ge Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Au Mn

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ag Rh

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ir Pd


species: Hf Ni

sg:
Aea2 #41
Cmce #64
Cmce #64

sg2:
Aea2 #41
Cmce #64
Cmce #64

Wyckoff_letters_orig: a a a b b

Wyckoff_letters_orig: b b b b b

Wyckoff_letters: a d e f

Wyckoff_letters: g g f


species: Co F

species_pp: Co F

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 F

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Gd O

species_pp: Gd O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: I V


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pb Rb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li Pb


species: Co Fe


species: Cr Ti


species: Cu Fe

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cu W

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Fe Ni

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Fe Ti


species: Mn Mo


Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Mn V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Mo Ni

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

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


species: Mo V


species: Co Cr


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr Cu


species: Cr Mn


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cr V


species: Cu Mo


crystal_class_orig: tetrahedral


species: Fe Mn


species: Fe Zn


species: Mo Ti


species: Mo Zn


species: O Pb

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: F Ta

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b f i

Wyckoff_letters: b c k


species: Hg In


sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Hg Mg


species: Hg Rb

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg S

species_pp: Hg S


species: Hg Te

species_pp: Hg Te


species: Ca Rb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cs K


species: K Ta


species: Nb Rb


species: Rb Ta


species: Ca Ta

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: F Pb

Wyckoff_letters_orig: f g h h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: f g h h


species: Ce Cr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Sm


species: Dy Pr


species: Ce Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Ho


species: Cu Tb


species: Dy Nd


species: Fe Sm

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Pr V


species: Hg I

species_pp: Hg I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ba I

crystal_class: orthorhombic-bipyramidal


species: Be I


species: Co I

species_pp: Co I


species: Cr I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


species: I In


species: I Ni


species: I Pb


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Au Tc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Fe Tc


species: Mn Y

crystal_class: dihexagonal-dipyramidal


species: Mo Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pd Zn

Wyckoff_letters_orig: h i

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h i


species: Sc Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ti Y


species: Ag Ir

species_pp: Ag Ir

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cd Zn

species_pp: Cd Zn


species: Ir Zr

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

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: La Mo


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Eu Pb


species: Ag Re

crystal_class_orig: diploidal


species: La Tc


species: Nb W


species: Ru Sc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ta Tc


species: As Ba

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: i j


species: Fe Ir

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Hg V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Pt V


species: Hf Tc


species: Hg Os

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ir Ni

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Re V


species: La Ta


species: Ca I

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co I

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: I Mg

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: I Ni


crystal_class_orig: ditrigonal-scalahedral


species: Be I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b b

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b

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


species: I Zr


species: Ag I

species_pp: Ag I

sg:
Pmna #53
Pmna #53
Pmna #53

sg2:
Pmna #53
Pmna #53
Pmna #53

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: I In


species: I Sn

species_pp: I Sn

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ba I

crystal_class_orig: tetragonal-scalenoidal


species: Ag Rh


species: Ce Er

crystal_class_orig: ditetragonal-dipyramidal


species: Co Ir

species_pp: Co Ir


species: Re Y


species: Cu I

crystal_class: tetrahedral


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Sr


species: Os Sc


species: Os V

crystal_class_orig: dihexagonal-dipyramidal


species: Ag Fe


species: Hg Zn

species_pp: Hg Zn


species: Tc V


species: Ag Nb


species: Au Ta

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Cd Co

species_pp: Cd Co


species: Ir Re

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ir Ta


species: Mo Os

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Nb Tc


species: I O

species_pp: I O

Wyckoff_letters_orig: e e e e

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

Wyckoff_letters: e e e e

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


species: Ir Tc


species: Ta Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: W Zr


species: Cd Os


species: Nb W


species: Ta W


species: Ti Zr


species: Au Os

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe Sc


species: Hg Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pd V


species: F Mn

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a e

Wyckoff_letters: e f f

Wyckoff_letters: c e


species: Pm Sm


species: Mn Re

Wyckoff_letters_orig: c e


species: Rh V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: K Mg


species: B Re


species: Nb Rh

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb Ta


species: Fe Mg


species: B S

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cu Zr


species: I V

crystal_class_orig: hexoctahedral


species: Al Sb

species_pp: Al Sb


species: Cr Ga


species: Li Mg


species: I Tc


species: Mn V


species: I Ta

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


Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: O W

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O V


species: Ca Cr


species: F Mn

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: Co F

species_pp: Co F

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Li

crystal_class_orig: dihexagonal-pyramidal


sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Nb O


species: O Sr


species: Ca Ni


species: Dy Hg


species: Cu F


species: Fe Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pd Rh


species: Pd Zn


species: Ni Sc

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ca Cu

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ti Zn


species: Ca Hg


sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Zr

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m m m


species: O W


species: Fe K


species: Fe Ge

Wyckoff_letters_orig: a c i

Wyckoff_letters_orig: i i

Wyckoff_letters: a d i

Wyckoff_letters: i i


species: Ca O

sg:
Pbcn #60
Pbcn #60
Cmcm #63

sg2:
Pbcn #60
Pbcn #60
Cmcm #63


species: Ni O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Os


species: Pt Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Ir

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Pt

species_pp: O Pt

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Co Ti


species: N Sm


species: Mn Pd


species: Ca Co


species: Fe Zn


crystal_class_orig: trigonal-pyramidal


species: F V


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


Wyckoff_letters: i a


species: I Ti

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O V

Wyckoff_letters_orig: c g

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: c g


species: Nb Ta


species: Fe Nb

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr F


species: F Fe

sg2:
Immm #71
Immm #71
Immm #71


species: He N

species_pp: He N

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Hg Pt

species_pp: Hg Pt

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: I Te

species_pp: I Te

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: Pt W


species: Nb V

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ca Ti


species: S Tb


species: Co Th

Wyckoff_letters_orig: a e f h k

Wyckoff_letters_orig: f f

Wyckoff_letters: a e f h k

Wyckoff_letters: f f


species: Co K


species: Pd Y


species: I Nb

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

Wyckoff_letters_orig: c c c c b b b b a

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

Wyckoff_letters: c c c c b b b b a


species: Sn Te

species_pp: Sn Te

sg2:
Pmm2 #25
Pmmm #47
Pmmm #47


species: O W


species: Pb S

crystal_class: diploidal


species: Au Mn


species: Ru Tc

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hg Rh


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Sc V


species: O Ru

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pd Pr

Wyckoff_letters_orig: b c g

Wyckoff_letters: b c g


species: Cr O


species: Cr Fe

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: a c m m m m m m m m m m m m m m m m m m n n n n n n n n n n

Wyckoff_letters_orig: m m m m m m m m m m

Wyckoff_site_symmetries_orig: 2/m 2/m m m m m m m m m m m m m m m m m m m m m m m m m m m m m

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

Wyckoff_letters: m m m m m m m m m m

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


species: O Zn

species_pp: O Zn


species: Ir Os


species: C Ir

species_pp: C Ir

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Co Nb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nb Zr


species: Ag Cd

species_pp: Ag Cd


species: Mo Re

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Tc Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: F Ti

sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Pd


species: F Ni


species: I Mn


species: F V


species: I Ti

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: O W


species: Ca Co

crystal_class: hexoctahedral


species: F Zn

species_pp: F Zn


species: O Sc


species: Ho O

Wyckoff_letters_orig: c e h

Wyckoff_letters_orig: h h h

Wyckoff_letters: c e h

Wyckoff_letters: h h h


species: Ca K

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe Y


species: Mn O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: c b e m

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


species: H O

species_pp: H O

sg:
Ibam #72
Cmmm #65
Cmmm #65

sg2:
Ibam #72
Ibam #72
Cmmm #65

Wyckoff_letters_orig: c e g f

Wyckoff_letters: c e i g


species: O Rh


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Ni


sg:
Cmce #64
Pmma #51
Pmma #51

sg2:
Cmce #64
Pmma #51
Pmma #51


species: Cr Li

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Li Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Ta

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: O Ti

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: c d d

Wyckoff_letters: d d d d d d

Wyckoff_letters: c d d


species: I Tc

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: c d


crystal_class_orig: tetragonal-trapezoidal


species: Co Mg


species: Cd Zn

species_pp: Cd Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: F Sb

species_pp: F Sb

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


species: Cu K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F V

sg:
Ama2 #40
Cmcm #63
Cmmm #65

sg2:
Ama2 #40
Cmcm #63
Cmcm #63

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a c


species: O W

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g


species: O Sc

crystal_class_orig: orthorhombic-bipyramidal


species: N Yb

species_pp: N Yb


species: Cd O

species_pp: Cd O


species: O Zr

crystal_class_orig: diploidal


species: Ge Te


species: Li Pb

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Nb Ta


species: Ca Pb


Wyckoff_letters_orig: a c


species: O Ta

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Cu Fe


species: Mn V


species: Cr Cu


species: Cr Ni


species: Cr W


species: Cu Ni

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Ti

Wyckoff_letters: e e


species: Fe Mn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo V


species: Ni Ti


species: Ti W


species: V W

Wyckoff_letters: c d e


species: Co Ni

crystal_class: ditrigonal-dipyramidal


species: Co W


sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e


species: Co Zn

species_pp: Co Zn


species: Cr Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


crystal_class_orig: monoclinic-prismatic


species: Mn Mo

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h


species: Mn W


species: Mo Zn


species: Hg Mg


species: Hg Ho


crystal_class_orig: dihexagonal-dipyramidal


species: Hg Rb


species: Hg S

species_pp: Hg S


species: Hg Yb

species_pp: Hg Yb


species: Ca Nb


species: Ca Ta


species: Cs Li


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ca Cl

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: Hg Li

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sm


species: Ce O

species_pp: Ce O

crystal_class: trigonal-trapezoidal


species: Co Er


species: Co Tb


species: Cs F


species: Fe Ni

Wyckoff_letters_orig: e e


species: Ni Tb

Wyckoff_letters: a c


species: Ce Co

species_pp: Ce Co


species: Cr Ho


Wyckoff_letters: a h


species: Er Zn


species: Fe Pm


species: Cr I

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a

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


species: I Pb

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal

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

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


species: Ag Cd

crystal_class: ditetragonal-dipyramidal


species: Ag Sc

Wyckoff_letters_orig: a c


species: Fe Tc


Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: La Ni


species: Pd Ru


species: W Zr

crystal_class_orig: hexoctahedral


species: Au Mo

Wyckoff_letters_orig: g h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h


species: Co Ir

species_pp: Co Ir


species: Pd Rh


species: Hf V


species: K P

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Cd Mn


species: Pt Ti


species: Au Ir

species_pp: Au Ir

Wyckoff_letters_orig: c d e


species: Co Ru


species: Hg Sc


species: La Pt

species_pp: La Pt

crystal_class_orig: ditrigonal-dipyramidal


species: Hf Ti


species: Ni Ta

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Al O

species_pp: Al O


species: La Ni


species: Cd Fe


species: Cu Nd


species: Ir V


species: Mo Ru


species: Ca I


species: Cr I

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f

Wyckoff_letters: c f f


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe I

sg:
Pbcn #60
Ibam #72
Ibam #72

sg2:
Pbcn #60
Pbcn #60
Ibam #72


species: I K


Wyckoff_letters_orig: e f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f f


species: I Mg

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: I Ni

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


crystal_class: orthorhombic-pyramidal


species: Be I


species: I Rb


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Sn

species_pp: I Sn

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: e j j k

Wyckoff_letters: e j j k


species: Ba I


species: Hg I

species_pp: Hg I

Wyckoff_letters: e e


species: I Pb

Wyckoff_letters_orig: d h

Wyckoff_letters: d h


species: Au Fe


species: Hg Ta

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ta V


species: Tc Zn

crystal_class_orig: dihexagonal-pyramidal


species: Cu I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: I Zn

species_pp: I Zn


species: Ga I

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sr

crystal_class_orig: orthorhombic-sphenoidal


species: Cd Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Y

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Os W

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: Rh Ta


species: Rh Zr


species: Fe Re

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Sc W


species: Fe Hg

crystal_class_orig: ditrigonal-scalahedral


species: Fe Sc

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ir Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Os Zn


species: Sc Zr

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Hf Ti


species: Fe Zr


species: Cr Hf


species: Hf Nb


species: Mo Nb


species: Nb Ti


species: Nb V


species: Ru Zr


species: Co Ir

sg2:
Pnma #62
Pnma #62
Pnma #62


species: La O

species_pp: La O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Os Rh


species: Co Sc


species: Sc Se

Wyckoff_letters_orig: a i


species: Cu Zr


species: Hf La


species: Au Tl


species: La Pd

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

Wyckoff_letters_orig: b f


species: Cu O


species: Ni Ru


species: Cd F

species_pp: Cd F

aflow_prototype_params_list_orig: a b/a c/a x2


species: F Ti

Wyckoff_letters_orig: e h


species: Co Mg

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3


species: Cd O


species: Au V


species: Mn Ti


species: Mg P


species: Ni Zr


species: Ti W


species: Cr O

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a


species: Au F

species_pp: Au F

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: I Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: Ge O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au Rh


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Re Tc

crystal_class: hexoctahedral


species: Mg O

crystal_class: dihexagonal-pyramidal


species: Ca Mn


species: Cd Cr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb O

crystal_class: orthorhombic-sphenoidal


species: Cr Mg

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Pt Tc


species: O V

crystal_class_orig: trigonal-trapezoidal

crystal_class: ditrigonal-scalahedral


species: Ca Cr

crystal_class_orig: ditetragonal-dipyramidal


species: Ir O

species_pp: Ir O


species: Ni O


species: Te Tl

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c l

Wyckoff_letters: c l


species: O W

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Pb S


species: I V


species: Be S


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b


species: Li V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co F

species_pp: Co F


species: Ca Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ge Te

crystal_class: orthorhombic-bipyramidal


species: Au Pt

species_pp: Au Pt

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cd La

species_pp: Cd La

crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: i i


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ti Y


species: K Mg

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Nb Ni


species: Sc Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co O

species_pp: Co O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Fe

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Mn O

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: S Sn

species_pp: S Sn

crystal_class: trigonal-trapezoidal


species: Mg S


species: Cu Hf

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: K O

crystal_class_orig: diploidal

crystal_class: diploidal


species: Al Nb


species: Cd O

species_pp: Cd O

Wyckoff_letters: i i


species: O Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca K

crystal_class_orig: tetrahedral


Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cu K


species: Eu O

species_pp: Eu O


species: Cd Zr

crystal_class: ditetragonal-dipyramidal


species: Pd Ti


species: F Ti


species: Pd Sb

Wyckoff_letters_orig: c c f f

Wyckoff_letters_orig: b c e

Wyckoff_letters: c c f f

Wyckoff_letters: b c e


species: Bi Pr


species: Co O


species: Cu Mg


species: Li Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mn O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: Pd Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c