species: Os Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd V

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

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: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

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: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a f

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

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: O Ti

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

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: d d d

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: d d d


species: O Zn

species_pp: O Zn

sg:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-sphenoidal

point_group_type_orig: enantiomorphic

point_group_structure_orig: dihedral


species: Co O

species_pp: Co O

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: BCT

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m m m


crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

crystal_class: orthorhombic-pyramidal

point_group_type: polar

point_group_structure: dihedral


species: Cd O

species_pp: Cd O

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: I N

species_pp: I N

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

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


species: Ca Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC


Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Li O

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

reciprocal_lattice_type_orig: ORCF

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF


species: Cr Mo

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ca Cr

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: b h

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


sg:
Pmmn #59
Pmmn #59
Immm #71

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr F

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-pyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-pyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


sg2:
Pnma #62
Pnma #62
Pnma #62


species: Ni V

Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

Bravais_lattice_lattice_type_orig: BCT

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Bi O

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

crystal_class_orig: ditrigonal-scalahedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Hg Re

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal


species: Be Ta


species: S Zn

species_pp: S Zn

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ir W

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Mg O

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_class_orig: trigonal-pyramidal

point_group_structure_orig: cyclic

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

point_group_structure: cyclic

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

Wyckoff_letters: a b b


species: Co Nb

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: O Rh

crystal_class: ditrigonal-scalahedral


species: Hf I

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Wyckoff_letters_orig: f f f f

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: f f f f


species: Ag Ti

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Co

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Li O

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL


species: Cu Mg

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mg Se

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


species: O Pd

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c

Wyckoff_site_symmetries_orig: m m


species: Mn O


species: Ga Tb

Wyckoff_letters_orig: a c h l

Wyckoff_letters_orig: g h m

Wyckoff_letters: a c h l

Wyckoff_letters: g h m


species: Co N

species_pp: Co N

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC


species: Ca Zn


species: Fe O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c d


crystal_class_orig: diploidal

crystal_class: diploidal


species: Fe K


species: O Yb

species_pp: O Yb

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

reciprocal_lattice_type_orig: MCLC

reciprocal_lattice_type: RHL


species: Co Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Ti


species: Sc V


species: Bi O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c d

Wyckoff_letters: f f


species: As La

species_pp: As La

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


crystal_class_orig: trigonal-trapezoidal


species: F Hg

species_pp: F Hg

sg:
Pbcm #57
Pbcm #57
Cmcm #63

sg2:
Pbcm #57
Pbcm #57
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal


species: Cu O

crystal_class_orig: monoclinic-prismatic

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: I Mn


species: Li Mg


species: Bi I


species: Cd Zr


species: O V


species: C Zr

Wyckoff_letters_orig: a c d i j

Wyckoff_letters_orig: e f g h

Wyckoff_letters: a c d i j

Wyckoff_letters: e f g h


species: In Sr

Wyckoff_letters: b c


species: I Tc

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: 2/m m m m m

Wyckoff_site_symmetries: m m m


species: Fe Mg


species: Co Mo

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: Pd Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Nb


species: S V

crystal_class_orig: monoclinic-sphenoidal

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


species: Cd V


species: Pt Se

species_pp: Pt Se


species: Ca Cl


species: Fe V

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O Zr

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: I V

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f


species: Mg O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: Cr Hg

crystal_class_orig: hexoctahedral


species: La O

species_pp: La O

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

point_group_Schoenflies: O

point_group_type: enantiomorphic

Wyckoff_letters: b c e


species: Cd F

species_pp: Cd F

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Co Fe

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: O W

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b e

Wyckoff_letters: b e

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Fe O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: j j


species: I Tc

crystal_class_orig: dihexagonal-dipyramidal


species: Ni W


species: Cu Li

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Hg Ti


species: Nb O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: F Zr

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


species: Li Mn


species: Mo O

Wyckoff_letters_orig: e f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f f


species: Dy O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: b c

Wyckoff_letters: c c


species: O Re

crystal_class_orig: tetragonal-trapezoidal


species: Si Ti

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

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

aflow_prototype_params_list_orig: a b/a c/a x2


crystal_class: hexoctahedral


Wyckoff_letters_orig: a c

crystal_class: ditetragonal-dipyramidal


species: O Tc


species: O Os


species: Cu Se

Wyckoff_letters_orig: g i

Wyckoff_letters: g i


species: C Os

Wyckoff_letters_orig: a a


species: Co Cr

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: c d e

point_group_Schoenflies: T

point_group_structure: alternating

Wyckoff_letters: c d e


species: Ag Fe

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Rh

crystal_class_orig: ditrigonal-dipyramidal


species: Li O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: c i

Wyckoff_site_symmetries: 2/m m m m


species: Al W

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b b b b b

Wyckoff_letters_orig: a b

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a b b b b b

Wyckoff_letters: a b


species: F Mn

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Mn O

crystal_class_orig: orthorhombic-pyramidal

crystal_class: tetragonal-scalenoidal


species: Cr O

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a b c

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: a b c

Wyckoff_site_symmetries: m m 1


species: Ca Mg


species: Cd Cl

species_pp: Cd Cl

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Yb


species: Cr W


species: O Zr

sg:
Pmmn #59
Cmmm #65
Cmmm #65

sg2:
Pmmn #59
Pmmn #59
Cmmm #65

Wyckoff_letters_orig: a e e

Wyckoff_letters: a h g


species: Li Ti

crystal_class: dihexagonal-dipyramidal


species: Al Co

species_pp: Al Co


Wyckoff_letters_orig: i i


species: Mg O

Wyckoff_letters_orig: c c d e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c d e


species: Cd Co

species_pp: Cd Co


species: Cu Li

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a c


species: O Os

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: Cr F


species: Ca Ti


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l o

Wyckoff_letters_orig: d k n

Wyckoff_letters: a l o

Wyckoff_letters: d k n


species: F Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O W

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr Li

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: a c


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe V


species: Co Cr

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Co Fe


species: Co V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Zn

species_pp: Co Zn

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: Cr Ni


species: Cr W

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cu Fe


species: Cu Ni


species: Cu V


species: Fe Mn


species: Fe Mo

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mn Mo


species: Mn Ti


species: Mo Ni

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: V Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Ti


species: Cr Zn


species: Cu Ti


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mn Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn V

Wyckoff_letters: a c


species: Mn Zn


species: Ni Ti

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni V


species: Ti W


species: W Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ca Cl

Wyckoff_letters_orig: b a a a a

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b a a a a

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


species: Cl K


species: F Ta

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Hg S

species_pp: Hg S

Wyckoff_letters: b c


species: Li Rb


species: Nb Rb


species: Cl Ta

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: F Nb

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Cl Cs


species: Cl Nb

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: Ce O

species_pp: Ce O


species: Tb Zn


species: Eu Zn

species_pp: Eu Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ho O

crystal_class_orig: rhombohedral

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

Wyckoff_letters_orig: f f f f f f f f

crystal_class: rhombohedral

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

Wyckoff_letters: f f f f f f f f


species: Cl Mg


Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: F Pb

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

Wyckoff_letters_orig: b c c c c

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

Wyckoff_letters: b c c c c


species: Cr Pr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ce Fe

Egap_DOS_type: metal


species: Co Nd

species_pp: Co Nd


species: Cr Pm


species: Dy V


species: Hf W

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Pr

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ag I

species_pp: Ag I

Egap_DOS_type: insulator

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: I In

crystal_class_orig: monoclinic-prismatic


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Au Mo


species: Ca O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cd Hf


species: Cd Ir

species_pp: Cd Ir


species: Fe La


species: Pd V


species: Sc Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Sc W


species: Cd Y


species: Tc Ti


species: Ni Sc


species: Ag Hf

Wyckoff_letters_orig: b l

Wyckoff_letters: b l

aflow_prototype_params_list_orig: a b/a c/a x3


species: Cr La

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Re Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Zn Zr


species: Ru Y

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Os

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ir Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Rh


species: Cu Mn


species: Dy Mn


species: Fe Pt


species: Tc W


species: Cu Y


species: Mn Te


species: Hf V

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

sg2:
Pnnm #58
Immm #71
I4/mmm #139


species: Ca I


species: Fe I

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: a c e

Wyckoff_letters: h i


species: I K

Egap_DOS_type: half-metal


species: I Li


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Mg

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: c e


crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


species: I Ni

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: c b e m

Wyckoff_letters: a d

aflow_prototype_params_list_orig: a b/a c/a x6

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


species: Cd I

species_pp: Cd I


species: Ba I


species: Hg I

species_pp: Hg I

sg2:
Immm #71
Immm #71
Immm #71


species: I Pb

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a

Wyckoff_site_symmetries: m m m m m m


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Al I

species_pp: Al I


species: Cd Y


species: Sc Tc

Wyckoff_letters_orig: a d


species: C Fe

crystal_class_orig: hexoctahedral


species: Cd La

species_pp: Cd La

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ce Ni


species: Cu Ta


species: Ag Sc

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cs P

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a a a a a a

crystal_class: tetragonal-pyramidal

Wyckoff_letters: a a a a a a a


species: Hf Ni

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class: orthorhombic-bipyramidal


species: Fe Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ag Tc

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Ru W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Au Cu

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Hg Nb

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Zr

crystal_class_orig: ditrigonal-scalahedral


species: Sb Sc

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: W Zr

crystal_class_orig: dihexagonal-dipyramidal


species: Ir Pt

species_pp: Ir Pt


species: La Nb


species: Ni Tc

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 O

species_pp: Co 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: Nb Ti

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Pt Ru


species: La W


species: Cr Nb


species: Pd Ru


species: Cu Sm


species: Hg Pt

species_pp: Hg Pt

sg:
Pnma #62
Pmmn #59
P4/mmm #123


species: Cl Ta

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: O Rh

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Ti

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: F V

Wyckoff_letters_orig: i i i j j j j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j j j j

Wyckoff_letters: g j


species: O Sc

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Li Ti


species: I Mn

crystal_class: hexoctahedral


species: Au Re


species: Mn O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-dipyramidal


species: Ni O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Mo O

Wyckoff_letters_orig: a c c c c c c c c

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

Wyckoff_letters: a c c c c c c c c


species: Fe Zr

Wyckoff_letters_orig: a c


species: Nb Ta


species: Co Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co O

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57


species: O V


species: Ca Cl

Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n

Wyckoff_letters: c b e

Wyckoff_letters: n n


species: Ca N


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Nb Re


species: O Zr

Wyckoff_letters: a c


species: Ca Cu


species: Mo Ni


species: Ge Te


species: O Sn

species_pp: O Sn

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: F Mg


species: Pb Te


species: O Yb

species_pp: O Yb

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b

crystal_class: diploidal


species: F Ni

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: F Sr

Wyckoff_letters_orig: a a


Wyckoff_letters: c c


species: Ca Li

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Fe Zr


species: Lu Si

species_pp: Lu Si

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: K Mg


species: Pt Re

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: I Ta

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c c g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c c g g


species: O Si

species_pp: O Si

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: Mo O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Mg O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: O Pb


species: Cs O


Wyckoff_letters_orig: a c


species: Cu F


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Hg

species_pp: Cd Hg


sg2:
Pnnm #58
Immm #71
Immm #71


species: O Rb


species: In O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Ru Ta

Wyckoff_letters_orig: a d

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a d


species: Co Ti

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ca Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: Cd S

species_pp: Cd S


species: O Zr

sg:
Pbcn #60
Pbcn #60
Pbcn #60

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters_orig: a b c c

Wyckoff_letters: d d d


species: O Ti


species: Co K

crystal_class: ditrigonal-scalahedral


species: Fe O

Wyckoff_letters_orig: a c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a c c


species: Ca Ni


species: Mo V


species: Pb Te

Wyckoff_letters_orig: e e


species: F Fe

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Mg O


species: C Li


species: O W


species: Au Mg

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: Li O


species: Ag Tc


species: Au Si

species_pp: Au 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: Cd Mo


sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m


species: As Zn

species_pp: As Zn

Wyckoff_letters_orig: f g h i k k

Wyckoff_letters_orig: k k k k k k

Wyckoff_letters: f g h i k k

Wyckoff_letters: k k k k k k


species: Ag Co

species_pp: Ag Co

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal


species: F Mn


species: K Li


species: Mn O


species: F Ti

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i

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


species: Fe V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Os Zr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mo Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Zn

species_pp: Ag Zn


species: Ca Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Ga Ti

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O Sc

Wyckoff_letters_orig: e f


species: Ca Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: F V


Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Li Se


species: Mg O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: e e

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


species: C O

species_pp: C O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: I Mn

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Re W


species: Ca F

Wyckoff_letters_orig: c d f

Wyckoff_letters: a d e

aflow_prototype_params_list_relax: a c/a x4


crystal_class_orig: hexoctahedral


species: Ba C

Wyckoff_letters_orig: a b h

Wyckoff_letters: a b h


species: O V

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: d d d


species: Cu Li

Wyckoff_letters_orig: c i

Wyckoff_letters: d i

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


species: Ca Cr


species: C Lu

species_pp: C Lu


species: Cr F

crystal_class_orig: orthorhombic-sphenoidal


species: Be Co

Wyckoff_letters_orig: f i j

Wyckoff_letters: f i j


species: O Tc

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ge 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: Cd Mn

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Cu Mg


species: Ca Li

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


species: Ni S

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: f h

Wyckoff_letters_orig: b c

Wyckoff_letters: f h

Wyckoff_letters: b c


species: Li Mg


species: O Os


species: Cd Cs


species: Li Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Rh

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O W

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b a d d

Wyckoff_letters_orig: c d

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b d d

Wyckoff_letters: c d


species: Os Ti

crystal_class_orig: ditetragonal-dipyramidal


species: O Sc

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Fe Sc

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cd Sc


Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Ca Mn


species: Cr Mg

crystal_class_orig: dihexagonal-dipyramidal


species: Os Sc


species: Cr F

crystal_class: orthorhombic-bipyramidal


species: Ag Hf


species: Nb O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: O Sn


species: Mg Si


species: Hg Ru


crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a


species: O Ta

crystal_class: monoclinic-prismatic

Wyckoff_letters: f e


species: Ta Zr

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: O Sr

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


species: H Zr

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: c c c f f

crystal_class: rhombohedral

Wyckoff_letters: c c c f f


crystal_class: ditetragonal-dipyramidal


species: Cs Pb


crystal_class: orthorhombic-sphenoidal


species: Fe Mn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Fe Mo

crystal_class_orig: ditrigonal-scalahedral


species: Mn Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Ni

crystal_class_orig: diploidal

crystal_class: diploidal


species: Cr Ni

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cr V


species: Cr W


species: Fe Zn

crystal_class: hexoctahedral


species: Mo Ti


species: Co Fe


species: Cr Mn


species: Cu Ni

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn W

Wyckoff_letters_orig: a d


species: Mn Zn

sg:
Pnnm #58
Immm #71
Immm #71


species: Ca F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Ta

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Cl Mg


species: Cs F


species: F Pb


species: Hg In


species: Hg Yb

species_pp: Hg Yb


species: Hg Ho


species: Hg Li


species: Hg O

species_pp: Hg O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Rb


species: Cs Li


species: Li Nb


species: Li Rb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c

Wyckoff_letters: a b d


species: Rb Ta


species: O Pb

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Cl Pb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


crystal_class_orig: tetrahedral


species: Cu Dy

crystal_class: dihexagonal-dipyramidal


species: Dy Fe


species: Ho V

crystal_class: ditrigonal-scalahedral


species: Ce Er


species: Cu Ho


crystal_class_orig: ditrigonal-dipyramidal


Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4


species: Dy V


species: Gd Pr

species_pp: Gd Pr


species: Ho Zn


species: Nd Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ni Tb


species: Pr Tb


species: Ba I


species: Cd I

species_pp: Cd I


species: Cr I

crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal


species: Co I

species_pp: Co I


crystal_class: orthorhombic-pyramidal


species: I Rb


species: I Sn

species_pp: I Sn

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: Al O

species_pp: Al O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f


species: Fe Nb


species: Fe Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mn Tb


species: Pd Zn

crystal_class_orig: hexoctahedral


crystal_class: tetrahedral


species: Mo Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ru W


species: Sc Zr


species: Au Nb


species: Hf Ta


species: Hg Mo

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hg Re

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd Fe


species: Ir Y


species: Mg O


species: Ca Cl

crystal_class_orig: orthorhombic-sphenoidal


species: Ce V

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hg Nb


species: Hg Ru

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ag Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au Ta


species: Ca I

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e


species: Cr I


species: Fe I

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: I Li

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: I Mg

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

Wyckoff_letters: a c e

Wyckoff_letters: b c d


Wyckoff_letters_orig: a a

crystal_class: orthorhombic-bipyramidal


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

Wyckoff_letters: i i j

Wyckoff_letters: a i


species: I Ni

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e

Wyckoff_letters: a e


species: I Zr

Wyckoff_letters_orig: e f g g g

Wyckoff_letters: e f g g g


species: Ag I

species_pp: Ag I


species: Hg I

species_pp: Hg I


species: Au V


species: Co Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Os Ti


species: Pd W


species: Cu I

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Al I

species_pp: Al I

Wyckoff_letters_orig: c c d i

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters: c c d i

Wyckoff_letters: c c f h i j k


species: Au Fe

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

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cr Ta


species: Re Zr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf Hg


species: Hf Ir

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ir Nb


species: Hg Ta

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: La Pd


species: Ni Ru

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Bi Cs


species: Hg Mo

crystal_class_orig: dihexagonal-dipyramidal


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Mo Zr


species: Nb Ta


species: Ta Zr


species: Hf Mo


species: Hf Ti


species: Nb Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ta Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ta W


species: Ba O

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: c c

Wyckoff_letters: a b c

Wyckoff_letters: c c


species: Au Re

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Ag Hg

species_pp: Ag Hg


species: Cr Y

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Mn Nb


species: Cr Tb


species: Y Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Ru

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Y Zn


species: Ca Mn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co O

species_pp: Co O

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

sg2:
Cmce #64
Pmma #51
Pmma #51


species: Ca Li


species: I V

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Br Th

Wyckoff_letters_orig: b h


species: Pb Se


species: Al F

species_pp: Al F

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Co Mg

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Sc Zr


species: Li V

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h


species: Cu Li


species: Ho Sb


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Mn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Ni Zn


species: Cd F

species_pp: Cd F


species: Mn O

sg:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b b b


species: Rh Si

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: K Sn

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c c d e e e

Wyckoff_letters: a c d

Wyckoff_letters: c c d e e e


species: O Tb


species: O V


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

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


species: Mo Y

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Fe Mn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe O

Wyckoff_letters_orig: a c b d g h e f

Wyckoff_letters_orig: g g h h e e f f

Wyckoff_letters: a c b d g h e f

Wyckoff_letters: g g h h e e f f


species: Ba N

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b


species: Cr Li

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Au Tc


species: I Ti


species: F Zn

species_pp: F Zn

crystal_class: ditetragonal-dipyramidal


species: O W

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Mo Pt

crystal_class_orig: ditrigonal-scalahedral


species: Cu O

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e


species: Ca Co

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg O


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Bi O

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Fe I


species: Ni O

crystal_class: hexoctahedral


Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cu F


species: Ir Tc


species: Ni V


species: Se Tb


species: Se Sn

species_pp: Se Sn

sg2:
Pmm2 #25
Pmmm #47
Pmmm #47

crystal_class_orig: orthorhombic-pyramidal


species: Cu Mg


species: Ca Zn


species: S Sn

species_pp: S Sn


species: I V

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a


species: As K

Wyckoff_letters: c c


species: Ta V


species: F Zn


species: O Ti


species: Au Fe


species: Li O

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Fe O

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

Wyckoff_letters_orig: e e e

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

Wyckoff_letters: e e e


sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Mn O

crystal_class_orig: ditrigonal-pyramidal


species: C Ru

Wyckoff_letters_orig: c c


species: Au Cu

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Dy O


species: O Zr

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Li Zn


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: Ni Si

Wyckoff_letters_orig: c c h h h h h h i i

Wyckoff_letters: c c h h h h h h i i


species: Fe Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Mn


species: Ag Bi

crystal_class: dihexagonal-dipyramidal


species: Fe Li

Wyckoff_letters_orig: d e


species: I Nb


species: Au Nb


species: Cd O

species_pp: Cd O


species: Au La

species_pp: Au La


species: Cu O


species: O Os

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca Co

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Ni P

crystal_class_orig: diploidal

crystal_class: diploidal


species: F Mg

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Ir Pd


species: Mg N


species: Hf Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd Hg

species_pp: Cd Hg


species: O Tc


species: Bi Ti

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O Zr


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: C V

Wyckoff_letters_orig: c d d d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c d d d


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Ni


species: Ca I

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

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


species: O W

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: a a b c e


species: O Yb

species_pp: O Yb


species: O Sr

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b b


species: Co F

species_pp: Co F

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: f g

Wyckoff_letters: f i


species: Cs Pb


species: Mg O

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Hg O

species_pp: Hg O


species: Ca Cu

crystal_class_orig: hexoctahedral


species: Mn Ru


species: O Zn

species_pp: O Zn

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Cd F

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f


species: Ga Sm


species: Ca O


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ru Ti


species: Re V

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Fe Nb


crystal_class_orig: ditetragonal-dipyramidal


species: Cr Mg

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: O Tl


species: F Fe


species: I Tc

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

Wyckoff_letters: h i


species: I Li


species: S Zn

species_pp: S Zn


species: O Zr

Wyckoff_letters_orig: a b d

Wyckoff_letters: a c


species: Cd Zn

species_pp: Cd Zn


species: Cd O


species: As Cd

species_pp: As Cd

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: I Mg


species: O Tc

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: c i i

Wyckoff_site_symmetries: 2/m m m


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: e e


species: Ag Ta

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Ni


species: F Ni

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: d a


species: Pb S

Wyckoff_letters: e e


species: I Mn

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Mo O

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


Wyckoff_letters_orig: a c


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Br H

species_pp: Br H

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

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Mn O


species: Cu Mg

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I V

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


species: K Pb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mg Nb


species: Mg Pb


species: Pb Rb

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cs O

sg:
Cmcm #63
Cmcm #63
I4/mmm #139


species: Co Mn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Mo

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co Ni


species: Co Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu W


species: Fe Mo

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Mn V


species: Mo Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ni Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: V Zn

Wyckoff_letters: a c


species: Cr Mo

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr Ti


species: Cr Zn


species: Fe Mn


species: Fe W


species: Fe Zn


species: Mo V


species: Mo W


species: Ti V


species: O Pb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cl Nb

Wyckoff_letters_orig: a i i i j j

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i j j

Wyckoff_letters: c i


species: F Nb


species: Hg K

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


species: Hg S

species_pp: Hg S


Wyckoff_letters_orig: b f


species: Ca Nb

Wyckoff_letters_orig: a c


species: Ca Rb


species: Cs Li


species: Li Nb

Wyckoff_letters: a h


species: Li Rb

Wyckoff_letters_orig: a d


species: Pb Ta


species: Mg Rb


species: Cl Mg


species: Cs Pb


species: Ce Nd

species_pp: Ce Nd


species: Ni Sm


species: Eu Fe


species: Co Pr

species_pp: Co Pr


species: Ho Ni


species: Ce Tb


species: Co Tb


species: Cu Dy


species: Cu Pr


species: Er V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Pr V


species: I In


species: Ag Ru


species: Au Ta


species: Cr Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Zr


species: Ir Rh

Wyckoff_letters: a d


species: Os Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ta V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hf Re


species: Mn Ru


species: Cu Os

Wyckoff_letters_orig: a h


species: Ag Nb


species: Hg Y


species: Tc Ti

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters: a e


species: Hf Pd

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Rh Ti


species: Y Zn


species: Pt Ru


species: Hg Pt

species_pp: Hg Pt


species: Mn Tc


species: Mo Nb


species: O Ti

Wyckoff_letters_orig: b a


species: Sc Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Hf W


species: Ca I

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


aflow_prototype_params_list_relax: a b/a c/a beta


species: Co I

species_pp: Co I


species: Cr I

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Fe I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I K

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Mg

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: I Ni

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


crystal_class: orthorhombic-bipyramidal


species: Be I


species: Ge I

Wyckoff_letters_orig: a a b

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

Wyckoff_letters: a a b

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


Wyckoff_letters_orig: c e


species: Ag I

species_pp: Ag I


sg:
Pnma #62
Pnma #62
Pnma #62


species: Cd I

species_pp: Cd I


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Hg I

species_pp: Hg I

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Au Re


species: Fe Ru


species: Rh Tc


species: Al I

species_pp: Al I

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ga I

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


Wyckoff_letters_orig: a f

Wyckoff_letters: c f


species: O Rh


species: F Mn


species: Ir Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Dy Yb


species: Hf Pt


species: Au Pd


species: Cu Zr


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mo Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pd Ta

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Au La

species_pp: Au La

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Au Zn

species_pp: Au Zn


species: Hg Ta

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Mn Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Ta


species: Mo Zr


species: Ta Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hf Mo


species: Mo Nb

crystal_class_orig: tetragonal-dipyramidal


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ta W


species: Sb Sc


species: Ta Zn


species: Zn Zr


species: Eu Pb


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: g g g g

Wyckoff_letters_orig: g g

Wyckoff_letters: g g g g

Wyckoff_letters: g g


species: Cd W


species: Ag Nb


species: Ni O

crystal_class_orig: orthorhombic-pyramidal

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: Mg Se


Wyckoff_letters_orig: b a d d


species: K Mn


species: Cr Os


Wyckoff_letters_orig: c f


species: Be V

Wyckoff_letters_orig: f i j

Wyckoff_letters: f i j


species: Ca Mg


species: I V


species: Cr Ni


species: Cu Ni

Wyckoff_letters: c d e


species: Co F

species_pp: Co F

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: N Os


species: Mg N


Wyckoff_letters_orig: d e


species: O Sr

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a


species: Ca Ni

Wyckoff_letters_orig: a d


species: Re Se

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i


Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Ta Y

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: V Zn

Wyckoff_letters_orig: c d e


species: Ca O

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Si Sr

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Cu K


species: Ca Co


species: Ag Cu

crystal_class: ditetragonal-dipyramidal


species: Fe I


species: O Tc

Wyckoff_letters_orig: e e


species: Br O

species_pp: Br O

Wyckoff_letters_orig: a a


species: Ga O

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters: c f


species: I Ti

Wyckoff_letters: d d


species: C Si

species_pp: C Si

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Li Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Mn

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Fe Mn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Fe O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

crystal_class: trigonal-trapezoidal

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Cu O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Ca I


species: O Tl

sg:
Pccn #56
Ibam #72
Ibam #72

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co O

species_pp: Co O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: K O


species: Ag Y

crystal_class: dihexagonal-dipyramidal


species: Ce Pd

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ni Ru

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: I Nb


species: Nb O

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: F Nb


species: Ge Se


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i


Wyckoff_letters_orig: i i i i

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

Wyckoff_letters: i i i i

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


species: C Ti

Wyckoff_letters_orig: d c


species: O Sr


Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cd F

species_pp: Cd F


species: I Mg


Wyckoff_letters_orig: a d g h

Wyckoff_letters: a d g h


species: O Tc


species: Nb Ni


species: Pb S


species: Ca Zn

crystal_class_orig: tetrahedral

Wyckoff_letters: a e


species: Cr Nb

sg:
Pnnm #58
Pnnm #58
Immm #71

crystal_class_orig: orthorhombic-bipyramidal


species: Ni O

crystal_class_orig: monoclinic-prismatic


species: Ni Pt

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Zn

species_pp: O Zn


species: Cu I


species: Hg Ti


species: Ir Pt

species_pp: Ir Pt

crystal_class: tetragonal-dipyramidal


species: Mg O

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a


species: Au Hf

crystal_class_orig: ditetragonal-dipyramidal


species: V W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca I


species: Co Ru


species: Co Cu

crystal_class: tetrahedral


species: O Ti


species: Li Zn


species: Pt Si

species_pp: Pt 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: F Mn


Wyckoff_letters_orig: a g

Wyckoff_letters_orig: g g

Wyckoff_letters: a n


species: F Fe

crystal_class: rhombohedral


species: Ca Cr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca F

crystal_class: orthorhombic-bipyramidal


species: Fe K

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O V


species: Mn Zn


species: Cr Ru

Wyckoff_letters_orig: a d


species: Nb Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: I Tc

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Mn O


species: F V

crystal_class_orig: rhombohedral


species: Ge S


species: Li Ti


species: Ce S

species_pp: Ce S

Wyckoff_letters_orig: e g g

Wyckoff_letters_orig: a e g g g g

Wyckoff_letters: e g g

Wyckoff_letters: a e g g g g


species: Co O

crystal_class: orthorhombic-pyramidal


species: Co V


species: Co Ni

Wyckoff_letters: a d


species: Ir N

species_pp: Ir N


species: O Pd

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Ni V


species: Cr F

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters: a i

Wyckoff_letters: i i i j j j


species: Ge Se

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: c b d d


species: F Ni

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Fe O


species: O Tc


species: Fe Mg


species: Cu La


species: K P

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: c d d d d d

Wyckoff_letters: c d

Wyckoff_letters: c d d d d d


species: Cr Mn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c


species: Ca Ti


species: Li O


species: Ca Co

crystal_class_orig: diploidal

crystal_class: diploidal


species: La Nb

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Fe K


species: Pb Te


species: O W

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: e e


species: Th Tl


species: Cd Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Eu Hg

species_pp: Eu Hg


species: Ag Ni

sg:
Pmma #51
Pmma #51
Pmma #51


species: Fe O


species: Nb O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b b b


species: F Mn


species: Mn Zn

crystal_class: ditetragonal-dipyramidal


species: Co F


species: O Zn

sg:
Fmmm #69
Fmmm #69
Fmmm #69


species: Er H


species: Mo Re

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: Cs Xe

Wyckoff_letters_orig: a d


species: Cr O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m


species: Ag Os


species: Br Mo

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


species: B Be


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic


species: Cu O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e


species: F Ni


species: Li Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Br In

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b d

Wyckoff_letters: a c d

Wyckoff_letters: b d


species: I V


species: I Mn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Ca O


species: Nb Ta

Wyckoff_letters_orig: a c


species: Cd Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: La Ti

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd O

species_pp: Cd O


species: Co O

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: Nb Ni


species: Ir O

species_pp: Ir O


species: Hf Y


species: P Rb

Wyckoff_letters_orig: c d d d d d

Wyckoff_letters_orig: c d

Wyckoff_letters: c d d d d d

Wyckoff_letters: c d


sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: K Pb


species: Mg Pb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Ti


species: Co Fe

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c


species: Cu Fe


species: Cu Ti


species: Fe Ti


species: Mn Ni

crystal_class_orig: tetragonal-dipyramidal


species: Ni W

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ti W


species: Co Mn


species: Cr Cu

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Ni


species: Cu Mn


species: Cu V

Wyckoff_letters: a c


species: Fe Mn


species: Fe V


species: Mn Zn


species: Cl Ta

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Hg Ho


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: d g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hg In


species: Hg Rb


species: Hg Se

species_pp: Hg Se


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mg Rb


species: F Nb

crystal_class_orig: orthorhombic-bipyramidal


species: Cl Nb

Wyckoff_letters_orig: c c d d d d

Wyckoff_letters: c c d d d d


species: O Pb

crystal_class_orig: orthorhombic-pyramidal


species: Ce O

species_pp: Ce O

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: h h

crystal_class: tetragonal-scalenoidal


species: Ce Ho


species: Sm Tb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Sm

Wyckoff_letters_orig: e g


species: Er Tm

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cl Mg


species: Cu Pr

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Ce Cu

Wyckoff_letters_orig: a c


species: Ce Fe


species: Ce Ni


species: Co Dy


species: Er Fe


species: Mn Sm

Wyckoff_letters_orig: b g


species: Pm Zn

species_pp: Pm Zn


species: Pr V


species: Tb V


species: Co I

species_pp: Co I


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Sb

species_pp: I Sb


species: Ga I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I In


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Ag Ru

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Re


species: Cu Nb


species: Cu Pd

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Hf Os

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hf Y


species: Hg Zn

species_pp: Hg Zn


species: Nd Ti


species: Mn Tc

crystal_class: hexoctahedral


species: Au Cu

Wyckoff_letters_orig: d g


species: Ir Os


species: F Sn

species_pp: F Sn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ir Ta


species: Hf Ta


species: Yb Zn

species_pp: Yb Zn


species: Hg Ru

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: La Ta

Wyckoff_letters: a c


species: O Pm

species_pp: O Pm

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Re W


species: Cd Mn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hg Mo


species: Cr Pt


species: Ca I

Wyckoff_letters_orig: e e


species: Co I

Wyckoff_letters_orig: a b b


species: Cr I


species: Fe I

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b c


species: I K

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: I Li


sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: I Mg

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: I Zr

aflow_prototype_params_list_orig: a c/a y2


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


Wyckoff_letters: e e


species: I In

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: I Sn


species: Dy Tb


species: La Pd


species: Cu I

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Zn

species_pp: I Zn

sg:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i

Wyckoff_letters: d i i i


sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: I Sr

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c


sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cs I


species: Cd W


species: Cu Sc


species: Fe Pd


species: Ir Y


species: Ag Ti


species: Cu Se


species: Ag Hg

species_pp: Ag Hg


species: Ag Re

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Ti


species: Ce Co

species_pp: Ce Co


species: V Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Nb V

Wyckoff_letters: b c


species: Ta Ti


species: Hf V


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

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Rh W

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cu Os


species: Pt Re

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Hf Y


species: O Os

crystal_class_orig: monoclinic-domatic


species: Pt W


species: Cr Re


species: O V

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Ge Se

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Ca Fe


species: C Fe

Wyckoff_letters: c i i i


species: Fe Nb


species: Ge S

crystal_class: orthorhombic-bipyramidal


species: Fe Li


species: Fe Mg


species: O W


species: F Ti


species: K O

Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a h i

Wyckoff_letters: i i j


species: In Pd

Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: Co F

species_pp: Co F


species: La Sc

Wyckoff_letters: a d


species: F Mn

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

Wyckoff_letters_orig: c c c

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

Wyckoff_letters: c c c


species: Pt Rh

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: I K


species: I Ta

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: c e b m

Wyckoff_letters: d a


species: Co O

species_pp: Co O


species: Co Zn

species_pp: Co Zn

Wyckoff_letters: c d e


species: Hf Zr


species: Li O

Wyckoff_letters_orig: c f

Wyckoff_letters: c e


species: O Tc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Li

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O V

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f


species: O Zr


species: O Tl

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a


species: Nb Pd

crystal_class_orig: hexoctahedral


species: Au Zn

species_pp: Au Zn


species: Ir O

species_pp: Ir O


species: Ca Ni


species: I Ti


species: Sb Ta

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a h


species: Cl I

species_pp: Cl I


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

Wyckoff_letters: a c h p

Wyckoff_letters: b g

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: F Ni

sg:
Pbcn #60
Ibam #72
Ibam #72

sg2:
Pbcn #60
Pbcn #60
Ibam #72

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c d

Wyckoff_letters: f g


species: Hg Mg


species: Mg Te

crystal_class_orig: tetrahedral


species: Ca F

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a b


species: F Fe

crystal_class_orig: ditetragonal-dipyramidal


species: Ag Ru

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Ti


species: Ga Y

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: Ge O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Fe Pt

crystal_class_orig: dihexagonal-dipyramidal


crystal_class_orig: ditrigonal-pyramidal


species: K O

sg:
Pbcn #60
Cmcm #63
Cmcm #63


species: I O

species_pp: I O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a c f

Wyckoff_letters: b d e


species: Ca Co


species: Cu V


species: Hf Hg

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: Cd F

species_pp: Cd F

sg:
Cmcm #63
Cmcm #63
Fmmm #69


species: Ni O

Wyckoff_letters_orig: d c e

Wyckoff_letters: c d e


species: Pd Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: b d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b d


species: I V

crystal_class_orig: trigonal-trapezoidal


species: S Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Y Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Au Ir

species_pp: Au Ir


species: In O

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Os Zn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ca O


species: Rh Y


species: Mn Re

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: H Ti


species: O Zr


crystal_class_orig: diploidal

crystal_class: diploidal


species: O Sr


species: Mn V


species: O Sc

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: c c

Wyckoff_letters: c d

Wyckoff_letters: c c


species: F Sr

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co La

species_pp: Co La

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Cu Zn


species: Co Hf

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Li Zn


species: Fe V


species: O Tb

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i

Wyckoff_letters: m n

Wyckoff_letters: b c


species: As Fe


species: Mo O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: O W

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i


crystal_class: dihexagonal-dipyramidal


species: F K

crystal_class: hexoctahedral


species: Ca O

crystal_class_orig: dihexagonal-pyramidal


species: Ca Ni


species: Y Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: I O


species: Bi O

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

crystal_class: trigonal-trapezoidal

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Cr O


species: Mg Se


species: La Os

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Sc Zr


species: Co O

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: V W


species: C O

species_pp: C O

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Cd O


species: Mn Sc

crystal_class_orig: hexoctahedral


species: Re Ti

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: F Ni

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: La Pd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: h h


Wyckoff_letters_orig: a a a

Wyckoff_letters: d c


species: O V

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i


species: Ir Ru

crystal_class: ditrigonal-scalahedral


species: O Zr

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

sg2:
Cmce #64
Cmce #64
P4/mmm #123

crystal_class_orig: orthorhombic-bipyramidal


species: Ca Cu

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Co K

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Si

species_pp: O Si

Wyckoff_letters_orig: a a b b b b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a a b b b b b

Wyckoff_letters: a a b b


species: O Sc


species: Li Ti


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Nb O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: O Sn


species: Li Mn


crystal_class_orig: monoclinic-domatic


species: Co F

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: S Tb

Wyckoff_letters_orig: e e


species: O Tc

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a h g


species: Mo Sc

Wyckoff_letters_orig: a c


species: S Zn

species_pp: S Zn

Wyckoff_letters_orig: a a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a


species: O V

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b c d

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b c d


species: Ag Re

crystal_class_orig: ditetragonal-dipyramidal


species: Fe O

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: Cu Mg

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: K Te

Wyckoff_letters_orig: d h h

Wyckoff_letters_orig: e h

Wyckoff_letters: d h h

Wyckoff_letters: e h


species: Ca Ni

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

crystal_class: tetrahedral


species: Li Ti


species: F Ni

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: Au Mn

Wyckoff_letters: a c


Wyckoff_letters_orig: b a e e e

Wyckoff_letters: e e

Wyckoff_letters: b a e e e


species: Ni O

Wyckoff_letters_orig: a l o

Wyckoff_letters_orig: d k n

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a l o

Wyckoff_letters: d k n


species: Co V

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: O Zn

species_pp: O Zn

crystal_class_orig: ditrigonal-pyramidal


species: Ag Ir

species_pp: Ag Ir

crystal_class_orig: dihexagonal-dipyramidal


species: N Ta


species: Co Mn

Wyckoff_letters_orig: c e


species: O Pd

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: O Sn

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Hf Mo


species: Cr Ti

Wyckoff_letters_orig: a c


species: Cr F

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Lu O

species_pp: Lu O


species: K Pb

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O Ta

sg:
Pmna #53
Pmna #53
Pmna #53

sg2:
Pmna #53
Pmna #53
Pmna #53

Wyckoff_letters_orig: a g h

Wyckoff_letters: a g h


species: Pb Rb

crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Pb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Cr Cu

crystal_class_orig: diploidal


species: V Zn

crystal_class: ditetragonal-dipyramidal


species: Co Cu

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co Ni


species: Co Ti

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Co Zn


species: Cr Fe


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Cr V

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Fe


species: Cu Ni


species: Cu Zn


species: Fe Ni


species: Mn Ti

crystal_class: diploidal


species: Mn V


species: Mn Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ti Zn


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters: a c


species: Co V


species: Cr Mo


species: Cr Zn


crystal_class: dihexagonal-dipyramidal


species: Cu Ti


species: Cu V

crystal_class: hexoctahedral


species: Fe Ti


species: Fe V


species: Mn Mo


species: Mn W


species: Ni Ti


species: Hg Rb


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Te

species_pp: Hg Te


species: Hg K


species: Li Ta


species: Mg Ta


species: Pb Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hg Li


Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: F Nb


Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: Gd Zn

species_pp: Gd Zn


species: Nd Ni


species: Cl Rb

Wyckoff_letters_orig: b b c a a a

Wyckoff_letters: b b c a a a


species: Co Pm

species_pp: Co Pm


species: Co Tb


species: Cr Ho

Wyckoff_letters_orig: a c


species: Cr Sm


species: Dy Fe


species: Dy Yb


species: Er Tb


species: Ho Mn


species: Ho V


species: Mn Tb

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ni Yb


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Si

species_pp: I Si

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e e e

Wyckoff_letters: e e


species: Cd Y


species: Hf Os


species: Hf W


species: Mo Nb


species: Os Zn


species: Ru V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ru Zn


species: Ir Mn

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Ir Zr


species: Au Re

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu Hf

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb Pd

Wyckoff_letters: a c


species: Ru Zr


species: Ag Hf

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Co Sc


species: Cr Hg

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Os W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Pt Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: B Cr

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ce Tb


species: Co Hg

species_pp: Co Hg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Re Rh


species: Re Ta


species: Sc Ti


species: Al O

species_pp: Al O


species: Tc Zr


species: Ag Fe

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ni Sc


species: Cr Nb


species: Nb Ni


species: Cr I

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe I


species: I K


species: I Li

sg:
Pbcm #57
Pbcm #57
Pmma #51

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

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_relax: a b/a c/a x6


species: I Mg


Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Be I

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e


species: I Sn

species_pp: I Sn


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: b a a a a a a

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

Wyckoff_letters: b a a a a a a

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


species: Au Hf


species: Hg Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Nb Ti


species: Cu I

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: I Sr

Wyckoff_letters_orig: f g h h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: f g h h


species: Cr Ir

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Ni

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

Wyckoff_letters_orig: a a a a a

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

Wyckoff_letters: a a a a a


species: Ir Mn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O W

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Sc Ti

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Ba N


species: Bi Cs


species: N O

species_pp: N O

crystal_class: orthorhombic-sphenoidal


species: Hf Hg


species: Ni Rh

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Sc


species: Co Tc

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Re Ti


species: Mo Re


species: Hf Nb


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Hf Ta

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f

aflow_prototype_params_list_relax: a b/a c/a


species: Ta Zr


species: Hf Ti


species: Nb W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hg V


species: Cu La


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: a b b


species: Cu Tc

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ho Nd


species: Pt Tc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: S Sr

Wyckoff_letters_orig: a c j

Wyckoff_letters: a c j


species: Ag Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn Nb


species: Pd S


species: Ru Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca V


species: Hf La

Wyckoff_letters_orig: b d

Wyckoff_letters: b d

aflow_prototype_params_list_relax: a c/a


species: F Mn

Wyckoff_letters_orig: c g i i j

Wyckoff_letters_orig: d i

Wyckoff_letters: c g i i j

Wyckoff_letters: d i


crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal


species: Nb O


species: O Zr

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: C N

species_pp: C N

Wyckoff_letters_orig: c h h h h h h i i

Wyckoff_letters: c h h h h h h i i


sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: Cu Mg

sg2:
Pnma #62
Pnma #62
Pnma #62


species: B C

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c g

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: c g


species: Cr Si

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Ti

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a


species: I Nb

crystal_class: tetrahedral


species: Ni O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe O

sg:
Pbca #61
Pbca #61
Pbca #61

crystal_class: orthorhombic-bipyramidal


species: F Sr


species: Mn Th

Wyckoff_letters_orig: f i j

Wyckoff_letters: f i j


species: Au Zr


species: S Sn

species_pp: S Sn


species: Mn O


species: Er Ga


species: K O

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


species: O Tc

Wyckoff_letters_orig: a d g h

Wyckoff_letters: c d


species: Sn Tb

Wyckoff_letters_orig: d e h i m

Wyckoff_letters_orig: e h n n

Wyckoff_letters: d e h i m

Wyckoff_letters: e h n n


species: Co O

species_pp: Co O


species: Ni Ti


species: Co Hf


species: Tc Zn


crystal_class_orig: orthorhombic-sphenoidal


species: Li V

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Ce Co

species_pp: Ce Co


crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Co Y

crystal_class_orig: tetrahedral


species: Cr K

crystal_class_orig: dihexagonal-dipyramidal


species: O Zr

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Au Cr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Li Zn


species: Ce S

species_pp: Ce S


species: Ca Co

Wyckoff_letters_orig: e e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e e


species: I Mn


species: Ge S

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e e e e


species: Ca Ni

Wyckoff_letters_orig: a f


species: O W

aflow_prototype_params_list_relax: a c/a x2


Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: O Rh


species: B Si

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: Cr Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_relax: a c/a z3


species: P Ta

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Sc


species: Ni Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au Sm

sg:
Pnma #62
Pnma #62
Pnma #62


Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: S Zn

species_pp: S Zn

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Nb Ti


species: Cr K


species: Cd O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Au Ta

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters: a f


species: Tc Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: La O

species_pp: La O

Wyckoff_letters_orig: a d g h


species: Li Ti


species: Ca Mg


species: Cr Mg


species: Li V

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: I Ti

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: Au La

species_pp: Au La


species: Hg O

species_pp: Hg O


species: Hf V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ca Pd

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Ca Cr

crystal_class_orig: dihexagonal-pyramidal


species: I Mn

crystal_class_orig: ditrigonal-scalahedral


species: O Zn

species_pp: O Zn

crystal_class: hexoctahedral


species: O Pb

Wyckoff_letters_orig: a a


species: Hf Sc


species: Mn O

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a a a b b b b b

Wyckoff_letters_orig: a a a a a a a a b

Wyckoff_site_symmetries_orig: m m m m m m m m m

Wyckoff_letters: a a a a b b b b b

Wyckoff_letters: a a a a a a a a b

Wyckoff_site_symmetries: m m m m m m m m m


species: Ca Tc

sg:
Pnma #62
Imma #74
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74


species: Os Re

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: e h

Wyckoff_letters: f g


species: Cr O

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a


species: Ca Zn


species: Ca Fe

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Mn Sc


species: N Os

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: C Nb

crystal_class: ditrigonal-scalahedral

aflow_prototype_params_list_relax: a c/a z2


species: I Nb


species: F Ni


species: Cu O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i


species: Li V


species: F Mn

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Sn Te

species_pp: Sn Te


species: Mg O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: j j


species: Ca V

crystal_class_orig: hexoctahedral


species: Ca Ni


species: C O

species_pp: C O

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

crystal_class_orig: orthorhombic-bipyramidal


species: Fe Os


species: Mn O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: a e

Wyckoff_letters: f f


species: Ag Cu

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au V


species: Cu F


species: O Ti


species: O Zr


species: Cs Pb


species: O V

sg:
Pnma #62
Pmmn #59
Pmmn #59

sg2:
Pnma #62
Pmmn #59
Pmmn #59


species: Ag Bi

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Ti


species: Cr Zn

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Ni Ta

sg:
Pnma #62
Fmmm #69
Cmmm #65

Wyckoff_letters_orig: c d

Wyckoff_letters: e f


species: Ca O


species: Cr O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: Cu S


species: Li V


species: Ca Ti


Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ni O

Wyckoff_letters_orig: e f


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: O Sr


species: O Zn


species: Ir La

species_pp: Ir La

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Bi Ti


species: Ca K


species: O Ta


species: Mg Pb


Wyckoff_letters: f e


species: Co V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Ti


species: Cr V


species: Cu Fe


species: Cu Ni


species: Cu Ti


species: Cu Zn


crystal_class_orig: diploidal

crystal_class: diploidal


species: Fe Mo


species: Mn Mo


species: Mn Zn


species: Mo W


species: Ni V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni W

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ni Zn