species: O W

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a


species: Au La

species_pp: Au La

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCF

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCF


species: Ag Pd

Bravais_lattice_orig: TET

lattice_variation_orig: TET

lattice_system_orig: tetragonal

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


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: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

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: d e f

Wyckoff_letters_orig: c c

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic

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: d e f

Wyckoff_letters: c c


species: Cr F

crystal_class_orig: tetragonal-dipyramidal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a b g g

crystal_class: tetragonal-dipyramidal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Wyckoff_letters: c g

Wyckoff_letters: a b g g


species: Bi O

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_class_orig: trigonal-pyramidal

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_class: trigonal-pyramidal

point_group_structure: cyclic

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: Ca Ni

Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

Bravais_lattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: a h

Bravais_lattice_lattice_type: BCT

reciprocal_lattice_type: BCT

Wyckoff_letters: a h


species: Ta Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Lu O

species_pp: Lu O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Ca Fe

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: K Pb

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: O Ta

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

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

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

point_group_type: polar

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

Wyckoff_letters: a b


species: Cs Pb


species: Mg Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mg Pb

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: b e

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: b e


species: Cu Mo

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 W

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: c e

crystal_family: cubic

crystal_system: cubic

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: c e


species: Co Fe


species: Cr Ni

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: Cr W


species: Cu Fe


species: Cu Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Fe Ni


species: Mn Ti

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Mn Zn

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Mo Zn


species: Ni W


species: V Zn


species: Co Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu Ni

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: Cu V


Wyckoff_letters_orig: c d

Wyckoff_letters: b f


species: Fe V


species: Mn V

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC


species: Ni V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ti V


species: Cl Mg


species: Cl Ta

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i


Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Hg S

species_pp: Hg S


species: Hg Mg


species: Ca Ta

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cs K


species: K Ta


Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Rb Ta


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: Ca Cs


species: Cl Rb

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic


species: F Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Pb

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: O Pb

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

reciprocal_lattice_type: MCLC

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


species: O Sm


species: O Yb

species_pp: O Yb

Wyckoff_letters_orig: a b

Wyckoff_letters: b a


species: Cu Dy


species: Cu Er


species: Dy Tb


species: Er Zn


species: Pr V

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Ti Yb


species: Pm Ti


species: Mn Sm


species: Cl Cs


species: Co Nd

species_pp: Co Nd

Egap_DOS_type: metal

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Dy Yb


species: Gd Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ho Mn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ho V


species: Nd V


species: Tb Zn


species: Yb Zn

species_pp: Yb Zn


species: I Si

species_pp: I Si

Egap_DOS_type: insulator

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cr I

Egap_DOS_type: half-metal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Rb


species: I Sn

species_pp: I Sn

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: a i

Wyckoff_site_symmetries_orig: m m m

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: a i

Wyckoff_site_symmetries: m m m


species: Au Co

species_pp: Au Co

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cd Cr


species: Ru V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Fe Pd


species: O Sr


species: Au Mo


species: Ag Tc


species: Fe Zr


species: Hg Rh


species: Ni Pt


species: Cd Ir

species_pp: Cd Ir


species: La Ru


species: Ru W


species: Au Os


species: Mg O


species: Ta Zr


species: La Re


species: Ca I

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: a h i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Co I

species_pp: Co I


Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

crystal_class_orig: monoclinic-sphenoidal

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: a a a a


aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Cr I


species: Fe I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I K

sg:
Pbcn #60
Pbcn #60
I4/mcm #140

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


sg:
Pbcn #60
Pbcn #60
Pbcn #60


species: I Li


species: I Mg


Wyckoff_letters_orig: i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a


species: I Ni

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e f


crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ag I

species_pp: Ag I


species: Cd I

species_pp: Cd I


sg:
Pbcn #60
Pbcn #60
Cmmm #65

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c d

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: I In


species: I Sn

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

crystal_class: ditrigonal-pyramidal

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


crystal_class: orthorhombic-bipyramidal


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e e g


species: Ba I

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: Hg I

species_pp: Hg I

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


Wyckoff_letters_orig: a a a b

Wyckoff_letters_orig: a b b b c c c c

Wyckoff_letters: a a a b

Wyckoff_letters: a b b b c c c c


species: Cu Sc

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


species: I Zn

species_pp: I Zn


species: Ni Ru

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cd Rh

Wyckoff_letters_orig: a d


species: Pt Ta

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Rh Ti


species: W Y


species: Re Zr


species: Rh Sc


species: Hg Zr

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ir Ta

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: La Nb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ta Tc


species: Hf Ti


species: Hf Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb V

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: Ta Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ta W


species: Hf Nb


species: Nb Ti

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ta V

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: Ti Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Zn


species: Nb Pd


species: Pd V


species: As Eu

species_pp: As Eu


species: Mn Re

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: O Pr

species_pp: O Pr

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e


species: Pd Y


species: Pd S


species: O Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg Te


species: Ti Zn


species: Cu F

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Cd Ir


species: Ni Re


species: Ir P

species_pp: Ir P


species: K Li


species: O Pt

species_pp: O Pt

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Wyckoff_letters: m m o

Wyckoff_letters: i m


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Pb Se


species: Mn O

Wyckoff_letters_orig: a d g h


species: Ca Si


species: F Ni

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Ir Mo

Wyckoff_letters_orig: c d


species: Au Fe

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Zn

species_pp: O Zn

crystal_class_orig: trigonal-trapezoidal


species: Tc Zn

Wyckoff_letters_orig: a d


species: Ru Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Mg


species: H S

species_pp: H S

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: Fe Pd


crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cd Ir


sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m


species: O Ru


species: Pd Ti


species: Ni Os


species: Mo O


species: Nb V


species: F Hg

species_pp: F Hg


species: H O

species_pp: H O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ta Tc


species: Cu Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe O


species: O Ti


species: I Ti


Wyckoff_letters_orig: a b c e

Wyckoff_letters: a b c e


species: Fe Mg

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F Fe


species: Hg Ti


species: Nb Rh

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f

Wyckoff_letters: a d


species: S V


species: F Sr


species: Hg Mo


species: Co Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters: c d


species: Fe Ir

crystal_class_orig: hexoctahedral


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl F

species_pp: Cl F


species: Nb Ni

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


species: Ga Yb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu Mg


species: Dy Se


species: Co O

species_pp: Co O


species: F Mg

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a b g g


species: Au Nb


species: Ti W

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: O Sn

species_pp: O Sn


species: I Tc

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cl Ti


species: Cr O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c f

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c f


species: Cr Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: b b b b

Wyckoff_letters: b b b b


species: O Ti


species: C Ru


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: c i

Wyckoff_site_symmetries: 2/m m m m


Wyckoff_letters_orig: b c e e g

Wyckoff_letters: b c e e g


species: Ir Tc

sg:
Pnnm #58
Pnnm #58
Pnnm #58


Wyckoff_letters_orig: a i

Wyckoff_letters: a i

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


species: Mn O

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: a g f j

Wyckoff_letters: c b

Wyckoff_site_symmetries: mmm mmm mmm 2mm

Wyckoff_site_symmetries: mmm mmm

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


species: Bi Ga


species: Se Si

species_pp: Se Si

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: b c d e e i i i i

crystal_class: tetrahedral

Wyckoff_letters: b c d e e i i i i


species: Co La

species_pp: Co La

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Au Y

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cu I


species: Mg Zr


species: O Tc

crystal_class: ditrigonal-dipyramidal


species: I Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: S Zn

species_pp: S Zn

crystal_class_orig: ditrigonal-pyramidal

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

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


species: Co Li


species: Ca O

Wyckoff_letters_orig: a a a a a a b b

Wyckoff_site_symmetries_orig: m m m m m m 1 1

Wyckoff_letters: a a a a a a b b

Wyckoff_site_symmetries: m m m m m m 1 1


species: Ge Sr

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

Wyckoff_letters_orig: e e

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

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

Wyckoff_letters: e e

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


species: Ca Mg

crystal_class: hexoctahedral


species: Rh Tb


species: Er O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: trigonal-trapezoidal


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Li O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: La Zn

species_pp: La Zn

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Cr O

crystal_class_orig: orthorhombic-sphenoidal


species: F Ti

Wyckoff_letters: a a


species: Cr Ti


species: Fe K


species: Cu Mg

crystal_class_orig: orthorhombic-bipyramidal


species: Ir N

species_pp: Ir N


species: O Tc


species: Bi Ni


species: Fe O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Mg


species: Mn O


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cd O

species_pp: Cd O


species: O Sc

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: c c c d e

Wyckoff_letters: c c c d e


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Au Sc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co Nb


species: O Os


species: Cu Se

Wyckoff_letters: d d


species: O Ti


species: Ni Ti


species: Li Mn


species: Co Mn


species: Se Tl

Wyckoff_letters_orig: e f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f


species: In Pt

Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: F Ti


species: Hg N

species_pp: Hg N

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: As Os


species: Mo Ni


species: Ni Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Mo W


species: Ir O

crystal_class_orig: ditrigonal-scalahedral


species: Li Zn


species: Cd Os

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Hf N

crystal_class_orig: diploidal


species: Ho In


species: Cr Mg


species: Ca O

sg:
Ima2 #46
Imma #74
Imma #74

sg2:
Ima2 #46
Imma #74
Imma #74

Wyckoff_letters_orig: a b c

Wyckoff_letters: a e h

Wyckoff_letters: b e h


species: I Ti

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: c f

Wyckoff_letters: a c f

Wyckoff_letters: c f


species: Bi Ti


species: I Tc


species: Cr Pd


species: Cd O

Wyckoff_letters: c d


species: Au In


species: Ca Co

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: O Sr

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: a f


species: Cd Gd

species_pp: Cd Gd


species: Cr Nb


species: O Re


species: Co O

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: I Mg


species: Ag Hf

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cd F

species_pp: Cd F

crystal_class_orig: triclinic-pinacoidal

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: a e i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a b i


species: Pd Ti

crystal_class_orig: dihexagonal-dipyramidal


species: F Fe


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: b d e


species: I V

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Bi Cs


species: K Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sc

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: F Ti


species: Sc Zn

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

point_group_Schoenflies: T

point_group_structure: alternating


species: O Tc


species: I Ta

crystal_class_orig: trigonal-trapezoidal

aflow_prototype_params_list_orig: a c/a y2

aflow_prototype_params_list_relax: a c/a y2


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Ta

Wyckoff_letters_orig: a a a

Wyckoff_letters: c c c


species: Co Cu

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Mo

crystal_class_orig: ditrigonal-dipyramidal


species: Cr V


species: Cr W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Zn


species: Cu Fe


species: Cu Mo


species: Mn Ni


species: Mo Zn

crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ti W


species: Co W


species: Cr Mn


species: Mo V


species: V W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: V Zn


species: W Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Pb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hg Ho

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cs Rb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Hg K


species: Hg Li


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li Nb


species: F Nb


species: Er O

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ho O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


species: Ce O

species_pp: Ce O

crystal_class: ditetragonal-dipyramidal


species: Dy O

Wyckoff_letters_orig: a a a a c b d d

Wyckoff_letters_orig: d d d d d d

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a a b c d d

Wyckoff_letters: d d d d d d


species: O Sm

crystal_class_orig: rhombohedral

crystal_class: ditrigonal-scalahedral


species: Ho Tb

crystal_class: dihexagonal-dipyramidal


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

Wyckoff_letters_orig: f f f f f f f f

crystal_class: rhombohedral

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

Wyckoff_letters: f f f f f f f f


species: Er Ho


species: Dy Er


species: Cl Nb


sg:
Pmmn #59
Pmmn #59
Imm2 #44

Wyckoff_letters_orig: e e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: e e


species: Eu Fe


species: Dy Tb


species: Er Nd


species: Ce V


species: Co Yb

species_pp: Co Yb


species: Cr Ho

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr Sm

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Sm


species: Dy Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Er Ti


species: Fe Ho


species: Gd Yb

species_pp: Gd Yb


species: Ho Pr


species: Ho Sm


species: Nd Pm

species_pp: Nd Pm


species: Ni Pm


species: Pr Yb

species_pp: Pr Yb


species: Hg I

species_pp: Hg I


species: Co I

species_pp: Co I


species: Cr I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: I In

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Pb


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Hg Y

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mn Zr


species: Pt Ru

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Pt Ta

crystal_class: ditrigonal-dipyramidal


species: Pt W

Wyckoff_letters_orig: c f

crystal_class: hexoctahedral

Wyckoff_letters: c f


species: Au Pd


species: Ag Cr


species: Ag Nb


species: Ag Os

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Fe Hf


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Pt Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Rh Sc


species: Hg Mo


species: Au Cd

species_pp: Au Cd


species: Rh V


species: Cd Zr


species: Ir Ni


species: Nb Pt


species: Os Pd


species: Re Ta

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ta Zr


species: Co I

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: Fe I


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: e e


species: I Sn

species_pp: I Sn

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


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


species: Cu La


species: Ir Y


species: Pm Sm

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Zn

species_pp: I Zn


species: Ga I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Au Ir

species_pp: Au Ir

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Hf Pd


species: Ir Pt

species_pp: Ir Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Au Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ir Ta


species: Cd Ti

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Hf Tc


species: Hg La

species_pp: Hg La


species: Mn Pd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Zn

sg2:
Pnma #62
Imma #74
Imma #74

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: e f


species: Mo Sc

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i


species: Ag Ir

species_pp: Ag Ir


species: La Sc

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Re Rh


species: Os Y


species: Pd Zr


species: Ag Bi

Wyckoff_letters: a d


species: Hf Ta


species: Hf Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Ta V


species: Ta W

Wyckoff_letters: c e d


species: Hf Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb Ti


species: Ag Hg

species_pp: Ag Hg

Wyckoff_letters: c d


species: Cd Ti


species: Hg Mo


species: Mn Sc

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ni Re

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Lu O

species_pp: Lu 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: O Pd


species: O Os


species: Fe O

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: O Pt

species_pp: O Pt


species: Cd O

species_pp: Cd O

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: O Tc


species: Ba Sb

Wyckoff_letters_orig: e l n n m m

Wyckoff_letters_orig: e f i g l o

Wyckoff_letters: e l n n m m

Wyckoff_letters: e f i g l o


species: H S

species_pp: H S

Wyckoff_letters_orig: a b

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b


species: F Ti

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Cr O

crystal_class_orig: ditrigonal-scalahedral


species: Se Sn

species_pp: Se Sn


species: Hg Nd

species_pp: Hg Nd


species: Mn Ni

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ca Co

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: O Sr


species: Ca Cu


species: Cu I


species: La Ru


species: F Ni

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: O W

Wyckoff_letters_orig: a h


species: Ca Tc


species: Co O

species_pp: Co O

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f


species: O Sn

species_pp: O Sn


species: Al Au

species_pp: Al Au


species: Hf Ir

Wyckoff_letters_orig: a d


species: Au W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ba N

Wyckoff_letters_orig: e e

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i


species: Cr Mg

crystal_class: ditetragonal-dipyramidal


species: Ag Ru


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a c


species: Ge S

crystal_class_orig: dihexagonal-dipyramidal


species: O V

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a

crystal_class: ditrigonal-scalahedral


species: Ga Rh

sg:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a a

Wyckoff_letters: a a


species: Mo Sc

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a d


species: I Zn


species: C N

species_pp: C N

crystal_class: tetragonal-scalenoidal


species: O Yb

species_pp: O Yb


species: I Ti

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-bipyramidal


species: Nb Pt

crystal_class: tetragonal-dipyramidal


crystal_class: orthorhombic-pyramidal


species: O Pt

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Co Sc


species: O Zr

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: c c

Wyckoff_letters: b c


species: In Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O W


species: Er Si

Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e e

Wyckoff_letters: e e e e


species: O Sc


species: S Tl

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a a b b b

Wyckoff_letters_orig: b b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a a b b b

Wyckoff_letters: b b b b


species: Cr Mg


species: Ca Zn


species: Cd Sc

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b


species: Cu P

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: Se Sn

crystal_class_orig: trigonal-trapezoidal


species: Ca Ti


species: K Li

Wyckoff_letters_orig: a d


species: Cd Mn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: C Re


species: Hf Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Tc

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f f

Wyckoff_letters: c f


species: I Ti

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Cr F

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: O Zn

species_pp: O Zn

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_letters_orig: a a a b b b b b b

Wyckoff_site_symmetries_orig: m m m m m m m m m

Wyckoff_letters: a a a b b b b b b

Wyckoff_site_symmetries: m m m m m m m m m


species: Er Sn

sg:
Cmcm #63
Cmcm #63
Fmmm #69

sg2:
Cmcm #63
Cmcm #63
Fmmm #69

Wyckoff_letters_orig: c c


species: Mn O

Wyckoff_letters_orig: f g i

Wyckoff_letters: f g i


species: Cu Hg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hf O

Wyckoff_letters_orig: a a


crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Nb W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ni O

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O Ti

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c d

Wyckoff_letters: a e

Wyckoff_letters: c d

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Co Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Mg


species: O Os


species: I Mg


species: Li Zn


species: Fe O


species: Os Ru


species: Li Ni

crystal_class_orig: diploidal

crystal_class: diploidal


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ca Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Ni


species: O Pb


species: O Pd


species: Cd Ho


species: Mn O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca O


species: Os Tc

crystal_class_orig: ditrigonal-scalahedral


species: Li Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: I Tc

Wyckoff_letters_orig: e e e

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

Wyckoff_letters: e e e

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


species: Ca Cu

Wyckoff_letters: c c


species: Mo Sc


species: O Ta

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a g g g g g g

Wyckoff_letters_orig: b c g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: a g g g g g g

Wyckoff_letters: b c g g


species: Cr O

Wyckoff_letters_orig: c c


species: Fe P

Wyckoff_letters_orig: b c e h

Wyckoff_site_symmetries_orig: mmm mmm mmm mmm

Wyckoff_letters: c a


species: K Mg


species: Fe O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m m m


species: Cu Mg


species: Y Zr


species: Co F

species_pp: Co F

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f


species: Cd F

species_pp: Cd F

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Br Nb

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: F Hf

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Mg Se


species: Co Nb

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Li Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Se Sn


species: O Tc

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a b

Wyckoff_site_symmetries: .m .m


species: I V

Wyckoff_letters_orig: a b d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a b d


species: Bi Mo

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m m m m m


species: Cr F

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Li V


species: Fe Rh


species: F V

Wyckoff_letters: c c


species: O Pt

crystal_class_orig: orthorhombic-sphenoidal


species: Ni Ta

crystal_class: ditetragonal-dipyramidal


species: Cu Mg

crystal_class: dihexagonal-dipyramidal


species: Cu K


species: Co K

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cu O

Wyckoff_letters_orig: c f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f


species: I K


species: C Yb

species_pp: C Yb


species: Sn Ti


species: Pt Zn

species_pp: Pt Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Sc


species: F Zn

species_pp: F Zn


species: Li O

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Co Fe


species: Co Mo


species: Co V


Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Co Zn

species_pp: Co Zn


species: Cr Mn


species: Cr W

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Cr Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe Ni


species: Fe V


species: Mn Ni


species: Mn W

Wyckoff_letters: b c


species: Mo Ti


species: Mo V


species: Co Mn

crystal_class_orig: ditrigonal-dipyramidal


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cr Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


crystal_class_orig: hexoctahedral


species: Cr V


species: Cu Ti

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Cu V


Wyckoff_letters_orig: c c


species: Ni W


species: Ni Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ti V


species: V Zn


species: O Pb


species: Cl Pb

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Hg S

species_pp: Hg S

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Hg Yb

species_pp: Hg Yb


species: F Pb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Li Nb


species: Li Rb


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pb Ta


species: F Nb


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: d e

Wyckoff_letters: d f


species: O Sm

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d


species: Co Nd

species_pp: Co Nd


species: Er Tb


species: Cr Gd


species: Cu Yb


species: Er Sm

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ho Tb


species: Ho Zn


species: Sm Tb


species: I In


species: Cd La

species_pp: Cd La


species: Co Er

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo Nb


species: Os W


species: Rh Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ti Zr


species: Cd Ta


species: Cu Zr


species: Ir Pd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn Tc


species: Pt Ti

Wyckoff_letters: c c


species: Co Y


species: Rh Sc

Wyckoff_letters_orig: g h


species: Ag Zr


species: Cu Pt


species: Ir Sc

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ta W

Wyckoff_letters: d e


species: Mn Rh

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Nb Tc


species: Al O

species_pp: Al O


species: Au Mo


Wyckoff_letters_orig: a d


species: Ni Tb


species: Pd Ta

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ag Zn

species_pp: Ag Zn


species: Hf Zr

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ta Zn

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Ca I

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe I

crystal_class: hexoctahedral


species: I K

Wyckoff_letters: a d


species: I Ni


Wyckoff_letters_orig: c i i i

Wyckoff_letters: d i i i


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Sn

species_pp: I Sn


Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: I Sb

species_pp: I Sb

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f


species: I Pb


species: Hg Re

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: I Sr

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: La Ta


species: Ir Mn

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hf Ru


species: Ru Zn


species: Cu Rh


species: Mo S


species: Cr La

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ir Y

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Os Rh


species: La Ni

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Hf V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb Ti


species: V Zr


species: Hf W


species: Nb W


species: Ta Ti


species: Ta Zr

Wyckoff_letters_orig: a d


species: Ti Zr


species: Au Cu

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ga Y


species: S Zn

species_pp: S Zn

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e

Wyckoff_letters: a c f

Wyckoff_letters: b d e


species: Pt Zr


species: Ag Ni


species: Ir Zr


species: Pd Te

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: c b d d


species: Ir Ru

Wyckoff_letters: a d


species: La Sc

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cs Pb

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Mo Si


species: Nb Pd


species: F Fe

Wyckoff_letters_orig: a a a


species: Nb Sc


species: F V

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: C Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: K O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_letters: j g

Wyckoff_letters: l k m


species: Co Fe

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b g

Wyckoff_letters: a c d

Wyckoff_letters: b g


species: Cr O

Wyckoff_letters_orig: d c e

Wyckoff_letters: c d e


species: Ca Cu


species: C Si

species_pp: C Si


species: Cd Mn


species: Ca O

sg:
Pmmn #59
Pmmn #59
Immm #71

sg2:
Pmmn #59
Pmmn #59
Immm #71

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ni W

crystal_class_orig: ditetragonal-dipyramidal


species: O V

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Ni Zr


Wyckoff_letters_orig: b a


species: Co Hg

species_pp: Co Hg


species: Hg Y


species: O Ti

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c c c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c c c


species: I V


Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: O Y

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Rh


species: I Mn


species: Nb O

Wyckoff_letters_orig: c e j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c e j


species: Hf N

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Re

Wyckoff_letters_orig: e e e


species: Cr O

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Tc Zr


species: Fe K


species: Cl Cr

crystal_class_orig: orthorhombic-bipyramidal


species: Cl Li


species: O Ru

crystal_class: monoclinic-prismatic


species: O V


species: Cd Hg

species_pp: Cd Hg

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cr Mg

crystal_class_orig: ditrigonal-scalahedral


species: Mo O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_letters: g i

Wyckoff_letters: i i j


species: Ru V

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Hf In


species: Al Mo


species: Ca Li


species: Nb O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Sc W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co Li

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe Pd


species: Ni W


species: As Cr

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: b g

Wyckoff_letters: c i

Wyckoff_letters: b g


species: O Si

species_pp: O Si

Wyckoff_letters_orig: e f g

Wyckoff_letters: e f g


Wyckoff_letters: e e e


species: I Mn


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: F V

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: e g


species: Bi Ti


species: Cd Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Zr

crystal_class_orig: diploidal


species: Mn Zr


species: Bi O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

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

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: F Ni

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Al Pt

species_pp: Al Pt

Wyckoff_letters_orig: a b c d

Wyckoff_letters_orig: d d

Wyckoff_letters: a b c d

Wyckoff_letters: d d


species: Ca O


species: O Sc

Wyckoff_letters_orig: a b


species: Li Mg


species: Fe O

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b b


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Tc


species: Li Ti

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Li O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e


species: Mg O


species: Cu Pd


species: Mn Zn


species: Se Ta

Wyckoff_letters_orig: e e e e e e e e e

Wyckoff_letters: e e e e e e e e e


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O W

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i


species: Ge Te

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


crystal_class_orig: ditrigonal-pyramidal


species: Cu K

Wyckoff_letters: a b


species: Te Zn

species_pp: Te Zn

crystal_class_orig: tetrahedral


species: Mo O


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Co Mg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Ru


species: Cr O

Wyckoff_letters_orig: c d

crystal_class: diploidal


species: Ca Zn

crystal_class_orig: hexoctahedral


species: O Sn

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Cd Pd

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd O

species_pp: Cd O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j j

Wyckoff_letters: j j j


species: O Zr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Cu O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a h j j k k n

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a h j j k k n


species: Hg Pd

Wyckoff_letters_orig: c c


species: F Fe

Wyckoff_letters_orig: d b i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: b d i


species: Cr Sc


species: Nb P

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

crystal_class: ditrigonal-scalahedral


species: Ca I


species: La Mo

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: O Sr

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: O Ti

Wyckoff_letters: i i


species: F Mn

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: P Sc

Wyckoff_letters: c d


species: Au Ta

crystal_class: dihexagonal-dipyramidal


species: Cr O

Wyckoff_letters_orig: a b c d e f g h i i i i i i i i i i i i

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

Wyckoff_letters: a f e c d h g b i i i i i i i i i i i i


species: La V


species: O Re

Wyckoff_letters_orig: a b


species: O Sn

crystal_class: ditetragonal-dipyramidal


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

crystal_class: orthorhombic-bipyramidal


species: Ca Cu

crystal_class: tetrahedral


species: Pd Y

Wyckoff_letters_orig: c f g

Wyckoff_letters_orig: c e

Wyckoff_letters: c f g

Wyckoff_letters: c e


species: I Mn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Li Tc

crystal_class_orig: tetragonal-dipyramidal


species: O Sc

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: Mn O


species: O Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: d e

Wyckoff_letters: d f


species: F Nb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mg O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: d a


species: Cl Si

species_pp: Cl Si

Wyckoff_letters_orig: e e e e


Wyckoff_letters_orig: f g j

Wyckoff_letters: f g j


species: Ca Ti


species: O Si

Wyckoff_letters_orig: a b e e e e e e e

Wyckoff_letters: a b e e e e e e e


species: Ca O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h n

Wyckoff_letters: h n


species: O Sr


species: Os Zn


species: Pd Zr

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co V

crystal_class_orig: ditrigonal-scalahedral


species: Au Tc

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Os V


species: Gd N

species_pp: Gd N


species: F Sr

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Cr Fe

crystal_class: hexoctahedral


species: Li Tc


species: Fe O

sg:
Pnma #62
Pmmn #59
Pmmn #59

sg2:
Pnma #62
Pmmn #59
Pmmn #59


species: C Li


species: Ga Si

Wyckoff_letters_orig: e e e e f g h i i

Wyckoff_letters: e e e e f g h i i


species: O Ti

crystal_class_orig: dihexagonal-dipyramidal


species: Mn Tc

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i i i i

Wyckoff_letters: i i i i


species: Pb S


species: I Tc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: K O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ge Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Ti

Wyckoff_letters_orig: e f


species: Ca Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mg O

sg2:
Pbcm #57
Pbcm #57
Cmcm #63

Wyckoff_letters_orig: c d e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: a c f f f

Wyckoff_letters: f f f f


species: Fe K

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca Li


species: Li Sn

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a g l

Wyckoff_letters: a g l


species: Hg O

species_pp: Hg O


species: Si Ti


sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Rh Y


species: Cr Fe


species: Pb Se


species: Cd O

Wyckoff_letters_orig: a c c

Wyckoff_letters: a f e

Wyckoff_letters: c e f


species: Sn Te

species_pp: Sn Te


species: Cu Fe

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca K


species: Mn O

Wyckoff_letters_orig: a b f f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a b f f

Wyckoff_letters: e f f


species: Fe Ta

crystal_class_orig: diploidal


species: Au Y


species: Mo N

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a


species: Co Ti


species: Li P

Wyckoff_letters_orig: a c c c c

Wyckoff_letters: a c c c c


species: Au Ru


species: Ca Pb


species: I Ta

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: b d

Wyckoff_letters: e g

Wyckoff_letters: b d


species: O Rb

crystal_class: orthorhombic-pyramidal


species: Ni V


species: Co Cu

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Co Fe


species: Cr Ni

crystal_class: tetragonal-dipyramidal


species: Cu Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn V


species: Mo Ni


species: Mo V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ti Zn


species: W Zn

Wyckoff_letters: c e d


species: Cr Cu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Fe


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cu Mn


species: Cu Mo

Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: d i


species: Cu V


species: Fe Mo

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe Ti

Wyckoff_letters_orig: a i


species: Fe V


species: Fe W

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Fe Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mo Ti


sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c d

Wyckoff_letters: a g


species: Ni W


species: Ti V


species: Ti W


species: V W


species: V Zn


species: O Pb

Wyckoff_letters_orig: a b c e

Wyckoff_letters: a b c f


sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c c c


species: Hg Te

species_pp: Hg Te


species: Hg Zn

species_pp: Hg Zn


species: Hg In


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hg Yb

species_pp: Hg Yb

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


species: Cs Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: K Rb


species: K Ta

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb Pb


species: Nb Rb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ca Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F K


species: O Pm

species_pp: O Pm


species: Er Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Sm V

Wyckoff_letters: b c


species: Cl K

sg2:
Pnma #62
Pmmn #59
Immm #71


species: Ce Er


species: Co Mn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Ce Sm


species: Co Dy


species: Co Er


species: Co Nd

species_pp: Co Nd


species: Cr Eu


species: Cr Pm


species: Cu Sm


species: Dy Fe


species: Dy Ni


species: Er Ti


species: Al I

species_pp: Al I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Co I

species_pp: Co I


species: Cr I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cd Hf


species: Ag Pd

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cr La


species: Fe Nb

crystal_class_orig: hexoctahedral


species: Ir Ti

Wyckoff_letters: b h


species: Cd Pd

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co La

species_pp: Co La


species: Hf Pt


species: Mo Ta


species: Nb Sc


species: Os Sc

Wyckoff_letters: b d


species: Hg Mo

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


species: Nb Zr


species: Cd W


species: Cr Pd

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni Sc

crystal_class_orig: tetrahedral


species: Re Tc

Wyckoff_letters: c d e


species: Ca I


Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: a e

Wyckoff_letters: f f


crystal_class: diploidal


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr I

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: d c


species: I K


species: I Li


Wyckoff_letters_orig: d e


species: I Mg


sg:
Pnma #62
Cmcm #63
Cmcm #63


Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: I Ni

Wyckoff_letters_orig: a a a a

Wyckoff_letters: e e

Wyckoff_letters: c a


species: I Zr

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: I Sb

species_pp: I Sb


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Ba I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f f f


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: I Pb


species: Co Hf


species: Cu I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b


species: Ag Ru


species: Hg Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Pd Ti


species: Co Re

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Hf Ta


species: Ni Pt

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ag Ir

species_pp: Ag Ir


species: Cd Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Pd Pt

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Au Hf


species: Cd Co

species_pp: Cd Co


species: Pd Sb


species: Ru Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ti Zr

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Ag Cu


species: Hf Nb


species: Cr Pd


species: Cu S


species: La Mo


species: Pt W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mo Ta


species: Cd Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Re


crystal_class_orig: tetragonal-dipyramidal


crystal_class_orig: ditetragonal-dipyramidal


species: Co Ir

species_pp: Co Ir


species: Hg Ti


species: Mg Se

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Pt Re

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Hg Pt

species_pp: Hg Pt

Wyckoff_letters: e e


species: Co La

crystal_class_orig: orthorhombic-bipyramidal


species: Ir Y


species: La V


species: Ir Nb


species: Pm Zn

species_pp: Pm Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Ru

Wyckoff_letters: c e d


species: I Li


species: O Sn

species_pp: O Sn


species: Fe La

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: O Os

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a d g

crystal_class: tetragonal-scalenoidal


species: O W

Wyckoff_letters_orig: c d


species: Mn Nb


species: Co F

species_pp: Co F

sg2:
Pmna #53
Pmna #53
P4/mmm #123

Wyckoff_letters_orig: e h

crystal_class: ditetragonal-dipyramidal


species: Mg O


species: F Fe

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Ca Ni


species: I Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: c a


species: Cu Mg

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: F Sr

crystal_class_orig: ditrigonal-pyramidal

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

crystal_class: ditrigonal-pyramidal

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: La Sb

species_pp: La Sb


species: Cd Sc

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Bi Ti


species: O Tb


species: O Zn

species_pp: O Zn


species: Mn O

sg:
Pban #50
Pban #50
Pban #50

sg2:
Pban #50
Pban #50
Pban #50

Wyckoff_letters_orig: e g h i

Wyckoff_letters: e g h i


species: Li O

crystal_class: hexoctahedral


species: Be N

Wyckoff_letters_orig: e e


species: F Ti


species: Ni Sc

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ca O

sg:
Pbcn #60
Cmcm #63
Cmcm #63

sg2:
Pbcn #60
Cmcm #63
Cmcm #63


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Br Si

species_pp: Br Si

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Fe Li


species: Bi O


species: Mg Te

crystal_class: dihexagonal-pyramidal


species: Cr Nb

Wyckoff_letters_orig: c c


species: P S

species_pp: P S

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Rh Tc

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


crystal_class_orig: diploidal


species: Ag Cd

species_pp: Ag Cd


species: F V

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a


species: O Tc


species: Nb O

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: I Mn

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

crystal_class: monoclinic-prismatic

Wyckoff_letters: m m o

Wyckoff_letters: i m


species: Ca Li


species: O Si

species_pp: O Si


species: Fe K


species: O Zn


species: Mo Ni

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Zr

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b


species: Co K

Wyckoff_letters: c c


species: Li Mg


species: Li Pb

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

Wyckoff_letters_orig: e e g f

crystal_class: tetrahedral

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

Wyckoff_letters: e e g f


species: Ir Mg

Wyckoff_letters_orig: a d e f

Wyckoff_letters: a d e f


species: O Sc

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g


species: Ge Te


species: Pt Rh

crystal_class_orig: hexoctahedral


species: Ni V


species: Cu K

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: K O

Wyckoff_letters_orig: a b


species: Ir Si

species_pp: Ir Si

Wyckoff_letters_orig: c c


species: O Tc

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Co Ti


species: Fe Sn


species: B Mn


species: F Sr


species: Mg O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a a


species: Bi Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca Cr

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: H Th


species: Mn Ti

crystal_class: tetragonal-dipyramidal


species: Cr F


species: Co Cu

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg Pd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Li

crystal_class_orig: tetrahedral

Wyckoff_letters: c e d


species: Ca Ni


species: Hf Pt

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Zn Zr


species: Cd Zr


species: Ni W

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ag Sc


species: O Tc

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Os


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: F Ti

crystal_class_orig: trigonal-trapezoidal


species: O W

crystal_class_orig: dihexagonal-pyramidal


species: S Sn

species_pp: S Sn

crystal_class_orig: orthorhombic-pyramidal


species: Cr Zn


species: Ca Co


species: Co Re


species: Cr La

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: B Rb


crystal_class_orig: ditetragonal-dipyramidal


species: Rb Sb


species: Cr O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Li S


species: Hg N

species_pp: Hg N

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: O Pr

species_pp: O Pr

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a f

crystal_class: rhombohedral

Wyckoff_letters: f f

Wyckoff_letters: a f


species: Ir O

species_pp: Ir O

Wyckoff_letters: e e e


species: O Sn

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: In O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sc


crystal_class_orig: monoclinic-domatic

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

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

crystal_class: monoclinic-domatic


species: Ca Zn

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

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

crystal_class_orig: orthorhombic-bipyramidal


species: Cr F

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O V

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: F Fe


species: Al Ni


species: F Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c k

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b f


Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: O Re

Wyckoff_letters_orig: d d d


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


crystal_class: ditrigonal-scalahedral


species: O Sr

crystal_class: ditetragonal-dipyramidal


species: Hg Ta


Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: c d e f k k

Wyckoff_letters: f f f k


species: Ca Mg


species: Er H


species: O W


species: Pb Se

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Er In

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: K Mg


species: O Pt

species_pp: O Pt


species: Co Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ir O

crystal_class_orig: ditrigonal-dipyramidal


species: Ir Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Si

Wyckoff_letters_orig: a b


species: Ge S

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cr Ta


species: Ca V

Wyckoff_letters_orig: b e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b e


species: Cd O

species_pp: Cd O


species: In O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: Co K


species: O Sn


species: Cr Mo


species: Nb O


species: Fe Nb


species: Ca O


species: B Li


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: b b c c c c

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: b b c c c c


species: Mo Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: Co F


species: I Mn

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_letters: a a a a a a a a a


species: Mg O

sg2:
Pbcn #60
Pbcn #60
I4/mmm #139


species: O Sc

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a

Wyckoff_letters: a a


species: Ir La

species_pp: Ir La

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: O Os

crystal_class_orig: monoclinic-prismatic


species: Os Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ge Te

crystal_class_orig: gyroidal

crystal_class: gyroidal


species: Pd Ti


species: Li Mg


species: Co Cr

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d

Wyckoff_letters: a c


species: As La

species_pp: As La


species: Cu Mo

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: H Si

species_pp: H Si

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e


species: I Tc


species: Mg Pb

crystal_class_orig: ditetragonal-dipyramidal


species: I Ta

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: K Pb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Cr V


species: Cu Fe


species: Ti W


species: V W


crystal_class_orig: diploidal

crystal_class: diploidal


species: Cr Mo

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu Ti

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Co Ni


species: Cr Mn

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr Ni


species: Cr W


species: Mo V

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ni Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ti V


Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: F Nb

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: F Pb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Hg Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg K


crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Hg Rb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb


species: Cl Nb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Ca Rb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca Ta


species: Cs Li


species: K Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Li Rb


species: Pb Ta


species: O Pb


species: Ca Cl


species: I O

species_pp: I O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e


species: Ho O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c a


species: Ce Co

species_pp: Ce Co


species: Cr Sm


species: Ce Cr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ho V


species: F Nb

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

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


species: Mn Pr


species: Nd Ni

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Ce Tb


species: Ce Zn

species_pp: Ce Zn

crystal_class: ditrigonal-scalahedral


species: Co Sm

crystal_class: ditetragonal-dipyramidal


species: Co Yb

species_pp: Co Yb


species: Dy Ti


species: Dy V


species: Mn Sm

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Nd Pr

species_pp: Nd Pr

crystal_class_orig: ditrigonal-dipyramidal


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Au Tc

crystal_class_orig: orthorhombic-bipyramidal


species: Cd Pt

species_pp: Cd Pt


species: Cu Ir


species: Mo Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Os Ta


species: Ru V


species: Hf Zr

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Nb Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ag La

species_pp: Ag La


species: Au Ru

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Pt Tc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F V

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: a b c c

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

Wyckoff_letters: a b c c


species: Ta W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hg Ni


species: Al O

species_pp: Al O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Hf Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Sc Ti


species: Cd Co

species_pp: Cd Co


species: Ni Os

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ta Zr


species: Pd Y

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cd W


species: Ca I


species: Cr I


species: I K

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a g f j

Wyckoff_letters: c b


species: I Mg

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: I Ni

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ge I

Wyckoff_letters_orig: k k l

Wyckoff_letters: k k l


species: I Zr

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Wyckoff_letters_orig: a g i n

Wyckoff_letters_orig: c f

Wyckoff_letters: a g i n

Wyckoff_letters: c f


species: Ag I

species_pp: Ag I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: I Pb


species: Cd Ru

crystal_class_orig: hexoctahedral


species: Cu I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sr


species: Cr Pd

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn Y


species: Pt Tc


species: Ta W


species: Cd Sc


species: Fe La


species: Mo Re

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Hg Mo

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: La Sc

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ba Sc


species: Mn Tc


species: Cu Pd


species: Cu Tb


species: La W

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Hf Y


species: Hf Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mo Ta


species: Mo Zr


species: Nb Ti


species: Cr Hf

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hf V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mo Tc


species: Nb Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Zr


Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Ta W


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Re V

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Hg Os


species: Re W


species: Au Hg

species_pp: Au Hg


species: Pd V


species: Nd Zn

species_pp: Nd Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li Si

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: S Sc


species: Nb Te


species: K Li


species: I Nb

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Sc Y


species: Mn Ru


species: Ca Cr


species: Fe Zr


species: Hf Rh


species: O Ti

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

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c


species: Li Ti


species: Ir O

species_pp: Ir O


species: Ca Co


species: O Os

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: Co Mg

Wyckoff_letters: c c


species: Cu F

Wyckoff_letters_orig: b b c a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b c a a a


species: O Tc


species: Ca Mn

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: O Pr

species_pp: O Pr

crystal_class: hexoctahedral


species: Sn Te

species_pp: Sn Te


species: La Y


species: O Yb

species_pp: O Yb

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: F Pr

species_pp: F Pr

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: Al Os


species: O W

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Mo V


species: Os Y


species: Al N

species_pp: Al N


species: F Sb

species_pp: F Sb

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: Ir Pd


species: P S

species_pp: P S

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: e e f f

Wyckoff_letters: e e f

Wyckoff_letters: e e f f


species: Ag Dy


species: Fe Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: In P


species: Hf Ir


species: I Tc


species: Ba N

crystal_class: triclinic-pedial


species: H Zr

Wyckoff_letters_orig: a a a a b

Wyckoff_letters: a a a a b


species: Ca O

sg:
Iba2 #45
Ibam #72
Ibam #72

sg2:
Iba2 #45
Ibam #72
Ibam #72

Wyckoff_letters: j j


species: I Ti

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: d h

Wyckoff_letters: g h

Wyckoff_letters: d h


species: O Zn

species_pp: O Zn


species: K Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ga O


species: Cr O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cd Fe


species: O V

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Mn Ti

Wyckoff_letters_orig: b e e f f f

Wyckoff_letters_orig: e f f f

Wyckoff_letters: b e e f f f

Wyckoff_letters: e f f f


species: Ca Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni S


species: O Sm

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: 2/m m m m m


species: Fe K


species: Pb S

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Cu Mg


species: I Mg


species: O Ti


species: Co Mo


species: Hg Mn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cd O

species_pp: Cd O

sg:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


species: I Ti

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Li

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Pr


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe O

Wyckoff_letters_orig: b c e e g

Wyckoff_letters: b c e e g


species: K Li


species: Dy O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_letters: a b

Wyckoff_letters: b b


species: Li Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Zn

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ta Ti


species: Cr F

sg2:
Pmna #53
Pmma #51
P4/mmm #123

Wyckoff_letters_orig: e h

Wyckoff_letters: c b


species: Os Rh

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ni Zn


species: F Fe


species: O V

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: Ca V


species: Se Sn

species_pp: Se Sn

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: O W

Wyckoff_letters_orig: b a


species: Nb Si

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g g


species: Li V


species: B Si


Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: Cr O


species: Al Tb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c c

Wyckoff_letters: d g f


species: Zn Zr

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li Ti


species: Li Tc

crystal_class: ditrigonal-dipyramidal


species: Cd Sc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nb Ti

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: a e h

Wyckoff_letters: a e h


species: O Sr

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Gd O

species_pp: Gd O

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F V


species: Fe O


species: Cr Sc


species: Cl Re

Wyckoff_letters_orig: h h h

Wyckoff_site_symmetries_orig: .m .m .m

Wyckoff_letters: h h h

Wyckoff_site_symmetries: .m .m .m


species: I Ti


species: K Mg


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Rh


species: Cu La


species: Ca Mg

crystal_class_orig: diploidal

crystal_class: diploidal


species: H Zr


species: Ag Br

species_pp: Ag Br


species: Co Ta

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: O W

Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: e e e e e

Wyckoff_letters: e e


species: Ca Ti


species: Ca O

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b b b b b

Wyckoff_letters_orig: a a a a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a b b b b b b

Wyckoff_letters: a a a a a a a a a


crystal_class: dihexagonal-dipyramidal


species: I Nb

sg:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c

Wyckoff_letters: c c


species: Cu O

crystal_class: ditrigonal-scalahedral


species: Se Zn

species_pp: Se Zn


species: Hf O


Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


species: Cu Mg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca Cu


species: Bi O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: c i


species: Li O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cu Se

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a e


species: Ir Te

species_pp: Ir Te


species: La Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe I

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: O Zr

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e


species: Ge Se

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_letters: g i

Wyckoff_letters: i i j


species: I Ti

sg:
Pmmn #59
Pmmn #59
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Mn O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Mo Rh

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a c


species: Ba Li

Wyckoff_letters_orig: a f h k

Wyckoff_letters: a f h k


species: Be W

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c d f g

crystal_class: hexoctahedral

Wyckoff_letters: c d f g


species: Ti Zr

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O V


species: F Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b b


species: C Cr


species: F Fe

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c b b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c b b


species: Mg Se

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Cd Mo


species: Ca Pb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: K Pb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Ta

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: c c

Wyckoff_letters: c d

Wyckoff_letters: c c


species: Co Mn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cr W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Mn Mo


species: Co Fe


species: Co Zn

species_pp: Co Zn


species: Cr Cu


species: Cr Mo

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Mo Ni


species: Mo Ti

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Mo W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ti W


species: V W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Ni


species: Cr Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Cu Fe


species: Cu Mo


species: Cu V


species: Fe Mn


species: Fe Ti


species: Fe W


species: Mo V


species: Ti V


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg Mg


species: Hg In


species: Hg Te

species_pp: Hg Te


species: Cs Mg


species: Li Ta


species: Rb Ta


species: Cl Nb


species: Cl Mg

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: O Sm


species: Eu O

species_pp: Eu O

crystal_class: ditetragonal-pyramidal


species: Cu W

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Ho V


species: Cr Dy

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Sm


species: Sm V


species: Hg I

species_pp: Hg I

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: I In

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic

aflow_prototype_params_list_orig: a b/a c/a beta y1 y2

aflow_prototype_params_list_relax: a b/a c/a beta y1 y2


species: I Pb


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Rb


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Co Dy


species: Pd Pt


species: Ru Zn


species: V Zr


species: Hg Zn

species_pp: Hg Zn


species: O Os


species: Sc Ti


species: Ta Ti

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: Nb Ti

aflow_prototype_params_list_relax: a c/a


species: Pt Ti


species: Cr Tc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Au Ru


species: Cd Mn


species: Hf La


species: Mg O


species: Ru Tc


species: Ce Ti

aflow_prototype_params_list_orig: a c/a


species: Ni Pt


species: Cr I

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: I K


species: I Li


Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Be I

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Cd I

species_pp: Cd I

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

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

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


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg I


species: Co Hg

species_pp: Co Hg


species: Co Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co Os


species: Co Pt

species_pp: Co Pt


species: Eu V

Wyckoff_letters_orig: a c


species: Fe Ta


species: Cu I

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

crystal_class: tetragonal-dipyramidal


species: Al I

species_pp: Al I

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a c/a z3


species: Cr Sc

crystal_class_orig: ditrigonal-scalahedral


species: La Ta

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ir Rh

crystal_class_orig: dihexagonal-dipyramidal

aflow_prototype_params_list_relax: a c/a z2


species: Nb Ti


species: Cu Pt

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Hf

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Mo Ta


species: Nb W

Wyckoff_letters: a c


species: Ta W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ta Zr


species: Hf Mo


species: Hf Zr


species: Nb V

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

Wyckoff_letters_orig: a l

Wyckoff_letters: a h