species: Sc Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Sc

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a


species: Ca V

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: B Tc

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Co Ge

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: h i

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: d a e

Wyckoff_letters: g i


species: O V

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: e f

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC


species: F Fe

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: Cd O

species_pp: Cd O

crystal_system_orig: trigonal

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

point_group_structure_orig: dihedral

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


species: Mn O

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: f f f

reciprocal_lattice_type: ORCF

Wyckoff_letters: e f

Wyckoff_letters: f f f


species: O Tc

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

aflow_prototype_params_list_relax: a c/a z2


species: Co K

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Y

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

point_group_type: polar

point_group_structure: dihedral

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: a a


species: Ir O

species_pp: Ir O

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

aflow_prototype_params_list_relax: a c/a x2


species: Fe Mn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: W Zr

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a


species: I Tc

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


species: F Mn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

point_group_type: enantiomorphic

Wyckoff_letters: a a a a


species: O W

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET


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

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: O Zn

species_pp: O Zn

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_class: tetragonal-dipyramidal


species: Li Ni

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Sc Y


species: F Ni


species: Cu F


species: Nb O


species: Co Li


species: Nb Ti

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Ni V

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET


species: Ca Fe


species: Cl Ta

crystal_class_orig: dihexagonal-pyramidal


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: i i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m

Wyckoff_site_symmetries: m m


species: Au W

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: Cu K

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Nb Zr


species: O Sr


species: Co W


species: Th Zn


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: B N


species: Co O

species_pp: Co O


species: Cu Li


species: Hg Zr


aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Co Os


species: Al Hf

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: Co Li

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

point_group_Schoenflies: T

point_group_structure: alternating


species: O Sc

crystal_class_orig: monoclinic-sphenoidal

point_group_structure_orig: cyclic

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

point_group_structure: cyclic

Wyckoff_letters: a c c


species: F V

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c


species: Pt Sc


species: Ca Ti


species: Ca Fe

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4

aflow_prototype_params_list_relax: a c/a z4


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: Fe O


Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


species: O V

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: c f

Wyckoff_letters: a c f

Wyckoff_letters: c f


species: Mn W


species: Os Sc


species: Cl Xe

species_pp: Cl Xe

Wyckoff_letters_orig: g h j k n

Wyckoff_letters_orig: g i

Wyckoff_letters: g h j k n

Wyckoff_letters: g i


species: Mg O

crystal_class: dihexagonal-pyramidal


species: Co Mo


species: Co Ni


species: Li Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf O


species: Ni S


species: Li O


species: O Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni Sc


species: O W


species: I Mg

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

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


species: Co K

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC


species: Li Zn


species: Sb Tb

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

Wyckoff_letters_orig: e e e e

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

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

Wyckoff_letters: e e e e

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


species: Co 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: Nb Rh


species: Cl Pt

species_pp: Cl Pt

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_class_orig: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: f f f f f f

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

Wyckoff_letters: f f f f f f

Wyckoff_letters: f f


species: S Sn

species_pp: S Sn

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: P V

Wyckoff_letters_orig: c c f f

Wyckoff_letters_orig: a c f f f

Wyckoff_letters: c c f f

Wyckoff_letters: a c f f f


species: F K


species: Ag Au

species_pp: Ag Au


Wyckoff_letters_orig: c d e e e


species: Au Rb

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ag Te

species_pp: Ag Te

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: P Tm

species_pp: P Tm


species: Hf O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: La Pd


species: I V

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: Hg O

species_pp: Hg O

aflow_prototype_params_list_orig: a c/a x2


species: Si Zr

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g


species: Cr K

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: c d e

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: c e d


species: I N

species_pp: I N

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Dy Sn

sg:
Cmcm #63
Fmmm #69
I4/mmm #139


species: Ir O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Fe O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn O

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mo O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: F V

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Ca V


species: Se Sn

species_pp: Se Sn


species: C Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Sr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Fe Li

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Co Li


species: Ca Pb


species: Mg S


species: F Ni

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Cr Ni


species: Mg Pb


species: Lu Pb


species: Pb Rb

sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Cu


species: Cr Ti


species: Cu Mo


species: Fe Mo

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mn Zn

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ni W


species: Ti Zn


species: V W

crystal_class_orig: diploidal


species: Co Cu


species: Co Ni


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Mn


species: Cr Mo


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Cu Zn


species: Fe V

aflow_prototype_params_list_relax: a c/a z3


species: Fe Zn

crystal_class_orig: hexoctahedral


species: Mo Ni

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: a f

Wyckoff_letters: a f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Mo W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ni V


species: Hg Ho


species: Hg In


species: Ca Cs


species: Li Nb

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Li Rb


species: Nb Pb


species: Pb Ta

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cs F


species: Cl Mg


species: Cl Nb

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_site_symmetries_orig: m m m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a

Wyckoff_site_symmetries: m m m m m m

Wyckoff_site_symmetries: m m m


species: Cs Pb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Pb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b


species: Cr Sm

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ho Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3


species: Nd V


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: f g j i

Wyckoff_letters: f g j i


species: Pr Tb

crystal_class: dihexagonal-dipyramidal


species: Ca Cl

sg2:
Pmna #53
Pmma #51
Pmma #51

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: e h


species: Ce Sm

Egap_DOS_type: metal


species: Co Dy


species: Co Sm


species: Dy Nd


species: Er Fe


species: Er Ti

Wyckoff_letters: c d e


species: Eu Mn


species: Mo Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nd Sm


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Au Tc


species: Hf Zn


species: Nb Pt


species: Pt Tc

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ti Y


species: V Y


species: Cu Y


species: Nb V


species: Bi Cs

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Cd Hf


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Rh Zn

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cd Sc

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


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mo Pd


species: Mn Ru


species: Ag Re

crystal_class: hexoctahedral


species: Au Ir

species_pp: Au Ir


species: Mn Sc

Wyckoff_letters: b d


species: Nb Ti


species: Cu Pd


species: Ga N

Egap_DOS_type: insulator

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mo Y


species: Fe Re


species: Ca I


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

Wyckoff_letters_orig: i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

Wyckoff_letters: i i i i


species: Co I

species_pp: Co I


species: Cr I

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


crystal_class: orthorhombic-bipyramidal


species: I K

crystal_class_orig: orthorhombic-sphenoidal


species: I Li


species: Be 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 Zr

Egap_DOS_type: half-metal


species: Cd I

species_pp: Cd I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: I Sb

species_pp: I Sb


species: Cu I

Wyckoff_letters_orig: a e

Wyckoff_letters: a e

Wyckoff_letters: e e


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Al I

species_pp: Al I

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cs I


species: Cs O


species: Cu Os


species: Hg Mo


species: Zn Zr

Wyckoff_letters: a c


species: Cd V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Cr 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: Nb Os

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c


species: Nd Pr

species_pp: Nd Pr


species: Fe Zr

crystal_class: ditetragonal-dipyramidal


species: Hf Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pt Ta

Wyckoff_letters_orig: b d


species: Cd Ti

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Hf Tc

crystal_class_orig: ditrigonal-dipyramidal


species: Cd Ni


species: Ir Ta


species: Sc Y

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ti Zr


species: Hf Zr


species: Ta Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf Mo


species: Mn Rh


species: Mo Ta


species: Nb Zr


Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ru Zn


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Pr

crystal_class: diploidal


species: Ag Rh


species: Ag Zr


species: Ca Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: La Mo

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


crystal_class: ditrigonal-scalahedral


species: N Sn

species_pp: N Sn


species: Co Ir

species_pp: Co Ir


species: Cd Ti

Wyckoff_letters_orig: a i

Wyckoff_letters: a i

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

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


species: Co Pd

Wyckoff_letters_orig: a e


species: Cr Re


species: O W

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b c d

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b c d


species: Sn Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ti W


species: Co Ge

Wyckoff_letters_orig: a c i

Wyckoff_letters_orig: i i

Wyckoff_letters: a c i

Wyckoff_letters: i i


species: Zn Zr


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: Mg Si

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Tc


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d


species: Ca Cu


species: F Mg


species: Pt Tc

crystal_class_orig: dihexagonal-dipyramidal


species: Cu I


species: Ni O


species: Os Ta

Wyckoff_letters_orig: a d


species: Cr O

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Cu O

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: Cs Sn

Wyckoff_letters_orig: e i

Wyckoff_letters: c g


Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a c


species: Cu Li

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c


species: Mo O


species: O Zr

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ni Zr


species: Cd Ta

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Bi Ti


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Nb Os


species: Nb W

crystal_class_orig: hexoctahedral


species: Ta V


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ca O


species: Cu F

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

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

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

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


species: Er Si


species: I Ti

Wyckoff_letters: a d


species: La Nb


species: O Tc


crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a h


species: Cu O


species: Cd Ir

species_pp: Cd Ir

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cr F


species: Co Ta

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: As O

species_pp: As O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: Ca I


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: P Ta

crystal_class_orig: ditetragonal-dipyramidal


species: Pd Y

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn Pd

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: F Ni

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: F Li

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd O

species_pp: Cd O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Fe Si


species: Cr O


species: Ni Pt


species: Ir O

species_pp: Ir O


species: Sc W


species: F Tl

crystal_class: dihexagonal-dipyramidal


species: Co O

species_pp: Co O

Wyckoff_letters_orig: j j j

Wyckoff_letters: j j j


species: Ce Si

species_pp: Ce Si

Wyckoff_letters_orig: b m

Wyckoff_site_symmetries_orig: mmm .m.

Wyckoff_letters: b m

Wyckoff_site_symmetries: mmm .m.


species: Co Mg

crystal_class: hexoctahedral


species: Co La

species_pp: Co La

Wyckoff_letters_orig: a e f h k

Wyckoff_letters: a e f h k


species: Ag W

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cu Li


species: Nb W

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Zn


species: Ag Hg

species_pp: Ag Hg


species: O Sc

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O Ti

Wyckoff_letters_orig: c j

Wyckoff_letters: c j


species: O Si

species_pp: O Si

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a a b b

Wyckoff_site_symmetries_orig: m m m m 1 1

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b b c c

Wyckoff_letters: a a b b

Wyckoff_site_symmetries: m m m m 1 1


species: Cr Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: K O


species: Gd In

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: c f g

Wyckoff_letters: c e

Wyckoff_letters: c f g


species: Ni O


species: S Ti


species: Li Zn

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i


species: O Zr

Wyckoff_letters_orig: c c c c c c c c

Wyckoff_letters_orig: c c c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c c c c c c c

Wyckoff_letters: c c c c


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Eu Pd


species: Er H


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


species: Hf V


species: O Pd


species: O W


species: Nb O


species: Br Cs


species: He Si

species_pp: He 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: Li Ti


species: Fe K


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

Wyckoff_letters: c d


species: Co K


species: Cu F

crystal_class_orig: triclinic-pinacoidal

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i


species: O Ti


species: Ca Li


species: P Sr

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ni Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca Ge


species: K Li


species: F V


species: Zn Zr

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ca F


species: Cr O


species: Al Ta

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Li


species: O V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Ti


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: e f

Wyckoff_letters: h i


species: Ti Y


species: Mn Ti

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Li Ni


species: La Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Au Mo


species: Dy Ge


species: S Sn

species_pp: S Sn


species: Bi O


Wyckoff_letters_orig: h k

Wyckoff_letters: h k


crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: F V

crystal_class_orig: ditrigonal-scalahedral


species: O Sr

Wyckoff_letters_orig: a b d


crystal_class: ditetragonal-dipyramidal


species: Y Zr

Wyckoff_letters_orig: c c


species: Be Br


species: Ag La

species_pp: Ag La


species: Sc Zr

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ag Bi


species: Hf N


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: O Sn

Wyckoff_letters_orig: d e f

Wyckoff_letters: c c

Wyckoff_letters: d e f


species: Cl Tb

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: I V


species: Ni O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mn O

Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a h i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Cu O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: V Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Si

crystal_class_orig: diploidal

crystal_class: diploidal


species: Cr O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a c


species: Eu O

species_pp: Eu O

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Fe Ni


species: Nb Sc


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i

Wyckoff_letters: d i i i


species: O V

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Hf O

Wyckoff_letters_orig: a b c

Wyckoff_letters: d c


species: Sc Zn


crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Cr Ta

Wyckoff_letters_orig: a c


species: Pd Sc


species: O Ru

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Cr K

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Pb Rb

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Co Zn

species_pp: Co Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cu Fe

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Co Fe


species: Co Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co V


species: Co W

crystal_class_orig: hexoctahedral


species: Cr Cu


species: Cr V


species: Cu W


species: Fe Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn Ni


species: Mn W

crystal_class_orig: dihexagonal-pyramidal


species: Mo Ti


species: Ti V

crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Co Mo

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


Wyckoff_letters_orig: a e


species: Cr Mo


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Mn


species: Cu V


species: Fe Zn


species: Mo W


species: Ni Ti


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cl Mg

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cl Nb

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b

Wyckoff_letters: c c

Wyckoff_letters: a b


species: Hg K

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


species: Hg Li


species: Hg Ho

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


species: Hg In

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


sg2:
Pnma #62
Pnma #62
Cmmm #65

Wyckoff_letters_orig: c d


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Hg Rb


species: Ca Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca Rb


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Ta


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cs Li

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cl Ta

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j

Wyckoff_letters: g j


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: F Nb


species: F Pb

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cl Cs


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: g h i

Wyckoff_letters: g h i


species: Ce Fe


species: Dy Ho


species: Nd Pr

species_pp: Nd Pr


species: Pm V


species: Tb V


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Pb

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


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

Wyckoff_letters_orig: e h


species: Cr Pr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Co Pm

species_pp: Co Pm


species: Dy Ni


species: Er Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Eu Mn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Pr V


species: Sm Ti


species: Tb Ti


species: I Rb


species: I In


species: I Pb


species: Ni Ta


species: Au Zr


species: Hg Sc


species: Pd Rh


species: Ag Tc


species: Nb Ni


species: Nb Tc

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Ru Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cd Co

species_pp: Cd Co


species: Cd Y


species: Cr Ir


species: Fe Tc

Wyckoff_letters: c d e


species: Cd Mn


sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Tc W


species: Ni Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pd Re


species: La Mn


species: Sc V


species: Mo Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca I

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Co I

species_pp: Co I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: d a


species: Fe I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I K

crystal_class_orig: hexagonal-dipyramidal


Wyckoff_letters_orig: f g

crystal_class: dihexagonal-dipyramidal


species: I Li


species: I Mg

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


crystal_class: rhombohedral


species: I Ni


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ag I

species_pp: Ag I


species: Ba I


species: Hf Sc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Nb Ti


species: Ru Ta

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ta Ti


species: Cu I

sg:
Pnna #52
Imma #74
Imma #74

sg2:
Pnna #52
Pnna #52
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: e a

Wyckoff_letters: h i


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Zn

species_pp: I Zn


species: I Sr

Wyckoff_letters_orig: e e e e

Wyckoff_letters: c c


species: Cd Cu

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hf Ni

crystal_class: hexoctahedral


species: Hf Zr

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Os Pd


species: Os Pt

crystal_class: monoclinic-prismatic


species: Fe Sc


species: Ni Rh


species: Ag Cu

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf Nb

crystal_class_orig: diploidal


species: Fe Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Sm Ti


species: Hg Pd


species: Ba Mg


species: Hf Ta

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class: orthorhombic-bipyramidal


species: Ta V


species: Nb Ti


species: V Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: La Nb


species: Cr Pt

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ag Fe

Wyckoff_letters: c d


species: Mn Re


species: Ag Co

species_pp: Ag Co


species: O Rh


species: Bi Te

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Ni W


species: Cr O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a


species: O Pb


species: K O


species: Cd Hf


species: Cd Cs


species: Ho O


species: Fe Mo


species: Cr Mg


species: F Ta


species: Mg O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a e e


species: O Pt

species_pp: O Pt

Wyckoff_letters_orig: a b


species: O Tc

crystal_class_orig: tetrahedral


species: Fe Mg


species: I Nb

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

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

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


species: Ir O

species_pp: Ir O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a


species: Ni O

crystal_class_orig: hexoctahedral


species: Co O

species_pp: Co O

Wyckoff_letters: a b


species: Ni V

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: O Sn

species_pp: O Sn

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m

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: B O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a a a a


species: Co Ni

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Cr F

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c


species: Nb O

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: h g

Wyckoff_letters: a h

Wyckoff_letters: h g


species: Os W

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cd Zr


species: O Pb

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O W

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e


species: Ni Zr

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: O Sc

Wyckoff_letters: c c


species: Cd Re

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Ag Pd


species: Hg O

species_pp: Hg O


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c c

Wyckoff_letters: a c

Wyckoff_letters: c c c


species: F V

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Ti W


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a b


species: Fe Nb


species: Nb W


species: Co Fe


species: C Ti

Wyckoff_letters_orig: a a b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a b d

Wyckoff_letters: c h


species: Au Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: La Sc


species: Li Ni


species: Pt Sc

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: K O

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Bi Rh


species: Fe O


species: K Mg


species: Ca Cr


species: F Mn

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

Wyckoff_letters_orig: c c c c b

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

Wyckoff_letters: c c c c b


species: Bi O

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Wyckoff_letters: d h

Wyckoff_letters: g h


species: Ca V

crystal_class: ditrigonal-scalahedral


species: O V

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: Sc V


species: Li O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr O


species: O Sn


species: Cd O


species: Ir O

sg:
Pbcn #60
Cmcm #63
Cmcm #63

sg2:
Pbcn #60
Pbcn #60
Cmcm #63

Wyckoff_letters_orig: d d d

Wyckoff_letters: f g e


species: Ni O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a h j j k k n

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a h j j k k n


species: Ge Se

crystal_class_orig: monoclinic-prismatic


species: Nb O


species: Bi Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: In Pt

Wyckoff_letters_orig: c e


sg2:
Pnnm #58
Pnnm #58
Immm #71


species: K O


species: P S

species_pp: P S

Wyckoff_letters_orig: e i

Wyckoff_letters_orig: g i i i j

Wyckoff_letters: e i

Wyckoff_letters: g i i i j


species: F Li


species: Fe Ir

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: a f h

Wyckoff_letters: a f h


species: Mo O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a h g


species: Co O

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Pb

sg:
Pbcn #60
Pbcn #60
Pbcn #60


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Ti


species: Li O

Wyckoff_letters_orig: f f f k

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters: f f f k

Wyckoff_letters: d c e f k k


species: H W


species: Cr K


species: I O

species_pp: I O

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: Fe Zn


species: Ca Mn


species: I Ta

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Li


species: Cu Li


species: Nb Y

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hf O

Wyckoff_letters_orig: e e


species: P W

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cu K

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Au Ti


species: Cr Li


species: Bi Ca

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


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: F Mg

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

Wyckoff_letters_orig: c c c b b

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

Wyckoff_letters: c c c b b


species: Pt W


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f

Wyckoff_letters: a c


species: I Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ir O


species: Ca Ni


species: Fe Mo

crystal_class: tetrahedral


species: O W

Wyckoff_letters_orig: a b

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: As Ca

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: O Sr


species: F Zn

species_pp: F Zn

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: O Ti

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


crystal_class: dihexagonal-dipyramidal


species: Be Pd


species: Pd Zn


species: Cu Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ru

Wyckoff_letters: a h


species: Co Os

crystal_class_orig: ditrigonal-scalahedral


species: Mg O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


species: O V

crystal_class_orig: triclinic-pinacoidal

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

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

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

Wyckoff_letters: i i i i i i


species: Cd Ge

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


crystal_class_orig: monoclinic-domatic

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


species: Ge S

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Ni


species: O Sn

crystal_class_orig: orthorhombic-pyramidal

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_orig: a c c c c c c c c

Wyckoff_letters: a c c c c c c c c


species: Ni O

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: f c

Wyckoff_letters: f c f


sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: Ca Co


species: Ir V

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Li Mn


species: Mn O


species: Ce Sn

species_pp: Ce Sn

Wyckoff_letters_orig: b k

Wyckoff_letters_orig: a h

Wyckoff_letters: b k


species: O Tc


species: Li Ti

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Li Mg

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Ti

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ca I


species: Ca V


species: Si V

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b

Wyckoff_letters: a b b


species: Mg O

sg:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a

Wyckoff_site_symmetries: m m m m m m m


Wyckoff_letters_orig: i i i i i i i i i i i i b i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i

Wyckoff_letters_orig: i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i i e i i i i i i i i i i i i


species: Cr O

sg:
Pccn #56
Immm #71
Immm #71

sg2:
Pccn #56
Immm #71
Immm #71

Wyckoff_letters_orig: c e


species: Fe Li


species: Co O

Wyckoff_letters_orig: a a b b b

Wyckoff_letters: a a b b b


species: O V

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Sr

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: b b c c c c

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: b b c c c c


species: Mg Nb

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a d

crystal_class: hexoctahedral

Wyckoff_letters: a d


species: K Pb

Wyckoff_letters_orig: c d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d e


species: Ca Pb


species: Cu Fe


species: Mn W


species: Co Fe

crystal_class_orig: tetrahedral

Wyckoff_letters: c e


species: Cu Mo

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Cu Ni


species: Cu Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Mn V


species: Mo Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ni Zn

Wyckoff_letters_orig: c d d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c d d


species: Co V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Mn


species: Cr Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cu Ti


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe Zn


species: Mo W


species: Ni W


species: Ti W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: F Pb


species: Hg In


species: Hg K

Wyckoff_letters_orig: b f


species: Hg Se

species_pp: Hg Se


species: Ca Nb


species: K Nb

crystal_class: ditrigonal-dipyramidal


species: K Ta


species: Li Nb


species: Nb Pb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Rb Ta

Wyckoff_letters: c e d


species: Ce Ti


species: Er Ni


species: Pr Ti


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Ce Dy


species: Eu Ti


species: Co Tb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: O Pb

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: Cr Eu


species: Eu Tb


species: Co Er

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Dy Sm


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Gd Sm


species: Nd Sm


Wyckoff_letters: c d e


species: Sm Zn


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Si

species_pp: I Si


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Au Hg

species_pp: Au Hg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ta Zn


species: Fe Re


species: Ir Zr


species: Pd Pt

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cu Nb


species: Hf Ni

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Ti

Wyckoff_letters_orig: m n

Wyckoff_letters: m n


species: Pd Tc


species: Ag Zr


species: Au Fe


species: O Zn


species: Cd W

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ce Cu


species: Cr La

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


species: Ir Nb


species: Cu Hg


species: Hf Os

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pd Zn


species: Co Zr


species: Ca I


species: Co I

species_pp: Co I

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: Cr I

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d

Wyckoff_letters: g f


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j


species: I K


species: I Li


Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g


species: I Mg


species: I Ni


species: I Sn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: I Sb

species_pp: I Sb

crystal_class_orig: ditrigonal-scalahedral


species: Hg I


species: Ir Mn


species: Nb Sc


species: Cu I

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Al I

Wyckoff_letters_orig: b d


species: Ga I

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd V


species: In Pt


species: Mn Y

Wyckoff_letters_orig: c c


species: Ag Nb

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Ag Y


species: Cd Ti

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cr Sc

Wyckoff_letters: c c


species: Nb Ti


species: Ag Os


species: Gd O

species_pp: Gd O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Mn Pd


species: Mo Ta

Wyckoff_letters_orig: a c


species: Ni Ta


species: Hf Ti


Wyckoff_letters: b d


species: Nb V


species: Pd Y


species: Ta V


species: W Zr


species: Ag La

species_pp: Ag La


species: C Sc


species: Ir Tc


species: Mo Te

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

crystal_class: monoclinic-prismatic

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: O Sn

species_pp: O Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: La Ti


species: Au Sc


species: Cr Tb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Eu

Wyckoff_letters_orig: a d


species: O Rh


species: Ag Mg

Wyckoff_letters_orig: a e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e


species: Ni O

crystal_class_orig: diploidal

crystal_class: diploidal


species: Fe Nb


species: K Mg

Wyckoff_letters: a d


species: Fe W


species: I Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni Te


species: Ni V


species: O Sc

Wyckoff_letters_orig: f f


species: Co O

species_pp: Co O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: I Tc

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: O Sr

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: f f f f

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Ag Bi


species: Ge Se

crystal_class: ditetragonal-dipyramidal


species: Mn O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Sb

species_pp: O Sb

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c

crystal_class: hexoctahedral

Wyckoff_letters: a b f

Wyckoff_letters: c d


Wyckoff_letters: c c


species: Ag Rh

crystal_class: ditrigonal-scalahedral


species: Li Ni

crystal_class_orig: ditetragonal-dipyramidal


species: O Tl

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a e i


species: Li Ti

Wyckoff_letters: a c


species: Cr Mg

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Sn Yb

species_pp: Sn Yb

crystal_class_orig: dihexagonal-dipyramidal


species: F Sr


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca Tl


species: As Zn

species_pp: As Zn

Wyckoff_letters_orig: c d f

Wyckoff_letters_orig: g g g

Wyckoff_letters: c d f

Wyckoff_letters: g g g


species: O V

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i i


species: Fe Se

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a b c c

Wyckoff_letters_orig: c c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a b c c

Wyckoff_letters: c c c c


species: Ca Ni

Wyckoff_letters_orig: a c


species: K O

crystal_class_orig: orthorhombic-bipyramidal


species: Li Mn


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hf Pd


species: Mn Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pt Y


species: Fe I


species: K Mg


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Bi O

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Cu Ni


species: O W

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b e

Wyckoff_letters: e e

Wyckoff_letters: a b e


species: Co F

species_pp: Co F


species: P V


species: O Ti

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: Fe Mo

Wyckoff_letters_orig: a g g

Wyckoff_letters: a g g


species: F Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: h h h

Wyckoff_letters_orig: c e h

Wyckoff_letters: h h h

Wyckoff_letters: c e h


species: F K

crystal_class_orig: monoclinic-prismatic


species: Au Zn

species_pp: Au Zn


species: K Li


species: I V

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: d a


species: O V

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: c c

Wyckoff_letters: b c


species: F Mg


species: O Sn

crystal_class_orig: dihexagonal-pyramidal


species: Cd O

species_pp: Cd 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


species: La Rh


species: O Pb


species: Fe Mg

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


species: Mg O


species: Cr Fe

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu In


species: Li O


species: Cr Li


species: Cu Sc

Wyckoff_letters_orig: e e


species: Cr Hf

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Se Zn

species_pp: Se Zn


species: F Xe

species_pp: F Xe

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: O Ti


species: Pb S


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Bi O

crystal_class: tetrahedral

Wyckoff_letters: a b b


species: O Tc

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: K Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ru W


species: O V

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: Ti Y

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cr Mg


species: O Sr

Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: Ge Te

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: O W

Wyckoff_letters_orig: m m m n n n

Wyckoff_letters_orig: b c m n

crystal_class: monoclinic-prismatic

Wyckoff_letters: m m m n n n

Wyckoff_letters: b c m n


species: F Mn

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: Pd Y

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


crystal_class_orig: orthorhombic-pyramidal

crystal_class: dihexagonal-dipyramidal


species: Cr K


species: Ca I


species: La O

species_pp: La O

Wyckoff_letters_orig: c f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f


species: F Zn

species_pp: F Zn


species: O Si

species_pp: O Si

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c c

Wyckoff_letters: c c d

Wyckoff_letters: c c


species: Ir Zr

Wyckoff_letters_orig: a b b c

Wyckoff_letters: a b b c


species: Mg Ni


species: Ir Y

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: I Ti


species: Hg Ni


species: Ir Nb


species: O Ru

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i


species: Er O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Dy Sn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ir V


species: O Pb


species: I Mn


species: Cu Ti


species: Ag F

species_pp: Ag F


species: O Zr

crystal_class_orig: diploidal

crystal_class: diploidal


species: C Ca

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Hf Se


species: Li Tc


species: Ni O

Wyckoff_letters_orig: b c e e g

Wyckoff_letters: b c e e g


species: Ca Fe


species: F Sn

species_pp: F Sn

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: C Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F Ti

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Nb O


species: Co Li


species: Cd Zr

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cu Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr W


species: I Ni

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

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


species: O V

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: a a

Wyckoff_letters: a b b

Wyckoff_letters: a a


species: C N

species_pp: C N

Wyckoff_letters_orig: k k j j

Wyckoff_letters_orig: b a f c m l

Wyckoff_letters: j j k k

Wyckoff_letters: a b c f l m


species: I Nb

aflow_prototype_params_list_orig: a c/a y2


species: O W

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: a f


species: Zn Zr

sg2:
Pnma #62
Imma #74
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: e f


species: Cr Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Tc


species: Rh Ta

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn O


species: Ca Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Tc


species: F Fe


species: O Zn

species_pp: O Zn


species: Ca Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Ru

Wyckoff_letters_orig: e e


species: F Mn


species: Ag Mn


species: F Ni

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


species: O Pt

species_pp: O Pt


species: B Nd

Wyckoff_letters_orig: f f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f f

Wyckoff_letters: f f


species: Er O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: Ca O


species: Nb V


species: Pt W

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: K Pb

crystal_class_orig: hexoctahedral


species: Li Pb


species: O Ta

Wyckoff_letters_orig: a a a

Wyckoff_letters: c c a


species: Mg Nb


species: Pb Rb


species: Ni Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co Cu

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co Ti

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Cr Mn


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr V

Wyckoff_letters: c c


species: Cr Zn

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cu Fe


species: Fe Ni

crystal_class: hexoctahedral


species: Fe Ti


species: Mn Ni


species: Mo Zn

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: V Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Co Fe

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Co Mo

sg2:
Pnma #62
Cmcm #63
Cmcm #63

Wyckoff_letters: a c


Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h


species: Cr W


species: Cu Mn

Wyckoff_letters_orig: a h


species: Fe Mn


Wyckoff_letters: c e d


species: Mn Mo


species: Ca Cl


species: Hg K


species: Hg Mg


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Rb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Ca F

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

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

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


species: Cl Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Dy Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ho Zn


species: Sm Ti

crystal_class: ditrigonal-scalahedral


species: Mn Nd


species: Cu Dy


species: Ho Mn


species: Cl Nb

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: O Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Zn

crystal_class_orig: orthorhombic-bipyramidal


species: Pr Zn

species_pp: Pr Zn


species: Ce Mn


species: Co Tb


species: Ni Tb


species: Pr Yb

species_pp: Pr Yb


species: Sm V


species: Cr I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Ag I

species_pp: Ag I


crystal_class: orthorhombic-pyramidal


species: I Sn

species_pp: I Sn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Hg Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: La N

species_pp: La N


species: Mo Sc


species: Ag Ni


species: Au Pd


species: Cr Sc


species: Mn Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Ru


species: Hg Ru


species: Hf Ir


species: Hf Os

crystal_class_orig: tetrahedral


species: Ta W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Ti


species: Pt Sc


species: Ir Os


species: Cu Ta


species: Ca I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: c f

Wyckoff_letters: c f f


species: Cr I

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Fe I

Wyckoff_letters_orig: a b b

Wyckoff_letters: a d


Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a e

Wyckoff_letters: c d

Wyckoff_letters: a e


Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: I Li


Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e


Wyckoff_letters_orig: a d


Wyckoff_letters_orig: a b l

Wyckoff_letters: a b h


species: I Mg

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: d a


species: I Ni


species: Be I


species: I Zr

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j

Wyckoff_letters: g j


species: I Sn


species: I Pb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f

Wyckoff_letters: e f


species: Hf W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Zn

species_pp: I Zn


species: Au Pd


species: Cd Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Au Ru

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Rh


species: Nb Ru

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu Pd


species: Re V


species: Hg Nb


species: I V


species: Nb Rh

crystal_class_orig: ditrigonal-scalahedral


species: V Zr

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Ag Tc


species: Fe Hg

Wyckoff_letters: a d


species: Hf Zr


species: Hf Nb


species: Hf Ta

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Mo Nb


species: Mo Ta

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ta Ti


species: Ta Zr


species: Au Hg

species_pp: Au Hg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pd V

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Sm Tb

crystal_class_orig: ditrigonal-dipyramidal


species: Ag Hf


species: La Os

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Rh Sc

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Rh Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Rh Ru

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: V Y

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: Mg O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e


species: Li Ti


species: Ga Tb


sg:
Fmmm #69
Fmmm #69
Fmmm #69


species: I Ti


crystal_class_orig: orthorhombic-pyramidal

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

Wyckoff_letters_orig: d d d d d e e e e e e e e e e e e e e e c c c c c d d d d d e e e e e c c c c c b b b b b


Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: Ca Cu


species: Pt Ru

Wyckoff_letters_orig: e e


species: Nb O

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


species: Cu Zr


species: Nb Zn

crystal_class: tetrahedral


species: Bi Te


species: Be S

crystal_class_orig: diploidal


species: O Ru


species: K O


species: Cu Se


species: O Sr

Wyckoff_letters_orig: a b e

Wyckoff_letters: e e

Wyckoff_letters: a b e


species: O V

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: S Zn

species_pp: S Zn


species: Co V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cl Ti


species: Ca O

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_letters: c b

Wyckoff_letters: a g f j

Wyckoff_site_symmetries: mmm mmm

Wyckoff_site_symmetries: mmm mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


species: Sc Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Ti


species: Dy Ge

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: c c d

Wyckoff_letters: c d d

Wyckoff_letters: c c d


species: Mo O


species: Pd Tb

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b f

crystal_class: rhombohedral

Wyckoff_letters: a b f


species: Ca K

crystal_class: ditrigonal-dipyramidal

aflow_prototype_params_list_orig: a c/a z2


species: O Rh

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd Ir

species_pp: Cd Ir


species: Sn Th

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a c

Wyckoff_letters: c c c

Wyckoff_letters: a c


species: Li Ni

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Co O

species_pp: Co O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: h g

Wyckoff_letters: a h

Wyckoff_letters: h g


species: Nb W


species: Ca I


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ca Ni

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: La Ru


species: Ca Cr

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

Wyckoff_letters_orig: a l


species: Cr K


species: Li Mn

crystal_class_orig: hexoctahedral


species: Hg Tc

Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: d i


species: Ni Sc


species: Ca Fe


species: Ca V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Pd Ru


species: Pb Te

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: C Yb

species_pp: C Yb


species: Mn O

Wyckoff_letters_orig: a l o

Wyckoff_letters_orig: d k n

Wyckoff_letters: a l o

Wyckoff_letters: d k n


species: I Mn

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: O V

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: Ir Ti

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Li Ti

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Co O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Li O


species: Co Mg


species: F Nb


species: B Ti

crystal_class: orthorhombic-bipyramidal


species: Ag Bi


species: O Y

Wyckoff_letters_orig: e e


species: I 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: Cd Ni

crystal_class_orig: ditetragonal-dipyramidal


species: Cr Se

Wyckoff_letters_orig: b c f

Wyckoff_letters: b c f


species: Cd O

species_pp: Cd O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Dy O

sg:
Pccn #56
Ibam #72
Ibam #72

sg2:
Pccn #56
Ibam #72
Ibam #72

Wyckoff_letters_orig: c e

Wyckoff_letters: a f


species: Cd Cs


species: F Mn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: O Zr

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F V


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Nb V


species: F Sr

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Os Tc


species: Fe K


species: Ga O

crystal_class: diploidal


species: Cr Cu

crystal_class: hexoctahedral


species: Pb S

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: Re Rh


species: Ag Al

species_pp: Ag Al


species: Pd Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Er S

Wyckoff_letters: e e


species: Mo Tc


species: Bi Ti

crystal_class: ditetragonal-dipyramidal


species: Fe O

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: c f f

Wyckoff_letters: a c f

Wyckoff_letters: c f f


species: Ca Ti


species: Re Ru

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O Sn

species_pp: O Sn


species: Ca Zn


species: B Ta


species: Ca O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ag La

species_pp: Ag La


species: Li Tc

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Cd N

species_pp: Cd N

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c c c c c


species: O Zr

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Cd O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


Wyckoff_letters_orig: e e


species: Cd Nb

Wyckoff_letters: c d e


species: K Li

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mn O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c j

Wyckoff_letters_orig: j j j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c j

Wyckoff_letters: j j j


species: O Pd

crystal_class_orig: tetrahedral


species: F Ni

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Nb O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Mn Sc


species: Cr Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: f h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: f h


species: F Fe

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b f i

Wyckoff_letters: a d j


species: Mo O

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a c c c c d d d

Wyckoff_letters: c c c c

Wyckoff_letters: a c c c c d d d


species: Cd Y

crystal_class_orig: ditrigonal-scalahedral


species: C Li


species: Ag Ho


species: O V

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b


species: Co O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Ca K

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ni O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: C Mg

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cd W


species: Fe Ni

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Au Ru


species: Mn O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e


species: Os Ta


species: Bi O


species: O Zr

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca Li


species: O Pr

species_pp: O Pr

Wyckoff_letters: c c


species: Cu K


species: Ca Zn


species: S V

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


species: Mo O


Wyckoff_letters_orig: f i l

Wyckoff_letters: f i l


species: Ir Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Nb Si

Wyckoff_letters_orig: b k

Wyckoff_letters_orig: a h

Wyckoff_letters: b k

Wyckoff_letters: a h


species: Fe O

crystal_class_orig: dihexagonal-pyramidal


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Tc

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: O Sc

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: Hg V


species: Cd Ti


species: Cl K


species: Fe V

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Li Pb

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mg Nb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Rb

sg:
Pnma #62
I4/mmm #139
Immm #71

sg2:
Pnma #62
I4/mmm #139
Immm #71


species: Co Cu


species: Cr Ni


species: Cu Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Ti


species: Fe Ti


sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c


species: Mn Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ti V


species: V W


species: Co Ni


species: Co V


species: Co W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu W


species: Fe Mn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mn Mo


species: Mn Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo W


species: Ti Zn

crystal_class_orig: diploidal


species: Ca Cl

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


species: O Pb

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

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

crystal_class: triclinic-pedial

point_group_structure: trivial

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


species: F Nb


species: F Pb

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


species: F Rb


species: Hg K

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Hg In


species: Hg Li


Wyckoff_letters_orig: b f


species: Hg S

species_pp: Hg S

crystal_class_orig: hexoctahedral


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Ca Cs


species: Ca Ta

crystal_class_orig: ditrigonal-dipyramidal


Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4


species: Cs Li


species: K Ta


species: Li Nb


species: Li Rb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cl Nb


species: Cl Mg

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: F Nb

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: O Yb

species_pp: O Yb


species: Ho Nd


species: Ho Ti


species: Dy Pr


species: Ho V


species: Ca Cl

crystal_class_orig: tetragonal-trapezoidal


species: O Pb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Ce Cr

crystal_class_orig: dihexagonal-dipyramidal


species: Ce Ti


species: Co Tb


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e


species: Co I

species_pp: Co I


species: I Pb


species: Cd I

species_pp: Cd I


species: Cs I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: f f e e f f f f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f e e f f f f f

Wyckoff_letters: f f f f


species: Cr Os

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j j

Wyckoff_letters: j j j


species: Hg Zn

species_pp: Hg Zn


species: Ni Sc


species: Pt Sc

crystal_class: tetrahedral


species: Sc Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Fe

crystal_class_orig: tetragonal-dipyramidal


species: Cd W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hf La


species: La Zn

species_pp: La Zn

aflow_prototype_params_list_orig: a c/a


species: Fe Ta


species: Ir Os


species: Mn O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a b


species: Mo Ru


species: Ta W


species: O Sr

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


species: Co Zr


species: Mo Pt


species: Hg V

crystal_class: ditrigonal-dipyramidal


species: Rh Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Tc Zr

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Ag Au

species_pp: Ag Au

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ag Bi

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ag Y


species: Co Y

aflow_prototype_params_list_orig: a b/a c/a x2


species: La Ta

Wyckoff_letters: e e


species: Mn Pd


species: Fe Ta


species: Os Tc

Wyckoff_letters: a d


species: Ca I


species: Co I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr I

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Fe I

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


crystal_class_orig: tetrahedral


Wyckoff_letters_orig: a b l

Wyckoff_letters: a b l

Wyckoff_site_symmetries: mmm mmm 2mm

aflow_prototype_params_list_relax: a b/a c/a x4


species: I Mg


sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Be I

crystal_class: tetragonal-trapezoidal


species: I Sb

species_pp: I Sb

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


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: I Pb


species: Cd Fe

crystal_class_orig: ditrigonal-scalahedral

aflow_prototype_params_list_orig: a c/a x3


species: Cl Rb


species: Cu I

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Zn

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Ga I

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: a b c d e


species: I Sr


species: Cr Rh


species: La Rh

crystal_class: dihexagonal-dipyramidal


species: Nb V


species: Re Zr

crystal_class: orthorhombic-bipyramidal


species: Cr Nd


species: Mo Se


species: Ag Ta


species: Sc V


species: Fe O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Rh Ti


species: Mn Pt


species: O V

Wyckoff_letters: a a a


species: Sc Zr


species: Hf Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O S

species_pp: O S

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a a a a a a a


species: Ta Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf W


species: Nb Zr


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ta V

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Fe Rh

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Os Zn


Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Au Hg

species_pp: Au Hg


species: Au Rh


species: Re Zn


species: Ce Cr


species: Hg Rh


species: Ru Sc

crystal_class: diploidal


species: Sn Ti

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cu Pd

crystal_class: hexoctahedral


species: I Mn

Wyckoff_letters_orig: g h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: g h


species: Cu Zn


species: Ca Mn


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Co Mo

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O V

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Ca Cl


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b e

Wyckoff_letters: e e

Wyckoff_letters: a b e


species: Cu O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Zn Zr


species: I Nb

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Cu W


species: S Sr


species: O Sc

Wyckoff_letters_orig: a b l

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4


species: F V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Fe

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Ti

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ca Mg


species: O Os

Wyckoff_letters_orig: a d


species: Fe H


species: Re Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li Zn


species: Co Mo


species: Ge Pd

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: K O


species: Co K


species: Ca Cu


species: Al V


species: C Ru


species: Nb Pd


species: Cu O


species: Se Sn

species_pp: Se Sn


species: Pt Zn

species_pp: Pt Zn


species: O Pd


species: Mn O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Ru Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Hf V

Wyckoff_letters_orig: a l


species: Br Ca

sg:
Pnma #62
Pnma #62
Cmce #64


species: F V

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

Wyckoff_letters_orig: e e

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


species: O Sc


species: H Mn


species: Hf Zr

Wyckoff_letters: a d


species: Cr Y

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Al Mg


species: K Mg


species: H Ti

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

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

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

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

Wyckoff_letters: a a a a


species: Ca V


species: Li O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: a c


species: Ni Ru


species: Nb V

Wyckoff_letters_orig: b e

Wyckoff_letters: b c


species: I Ti

crystal_class: ditrigonal-scalahedral


species: Ca O

sg:
Pbca #61
Pbca #61
Cmce #64

sg2:
Pbca #61
Pbca #61
Cmce #64

Wyckoff_letters_orig: c c

Wyckoff_letters: f f


species: O W

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters: c c


species: Ir O

species_pp: Ir O


species: Li Ni

Wyckoff_letters_orig: a d


species: Cd V


species: O Pr

species_pp: O Pr


species: Co Ti

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h


species: Co K


species: Mn W


species: Mo O

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g j

Wyckoff_letters: g h

Wyckoff_letters: g j


species: K Li

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu V

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Nb Ni


species: Fe Ni


species: F Mn

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b


species: Cd O

species_pp: Cd O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: N Re


species: Cu Fe

crystal_class: tetragonal-dipyramidal


species: N Zr

Wyckoff_letters_orig: a e h i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a f h i

Wyckoff_letters: i i j


species: Pd Tl


species: Au Co

species_pp: Au Co

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Zr

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j k l l

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j k l l


species: F Tl

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: O Sr

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


species: Cr Pd


species: O V

Wyckoff_letters: a d


species: Ir O

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a


species: Dy O

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal


species: O Sc

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Re W


species: O Re


species: Fe Pt

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Ti


species: O Ti

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ca K


species: O W

Wyckoff_letters_orig: j j j

Wyckoff_letters_orig: c j

Wyckoff_letters: j j j

Wyckoff_letters: c j


species: I Ti

crystal_class_orig: orthorhombic-pyramidal


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b

crystal_class: ditetragonal-pyramidal


species: Ca Ni


species: Ag Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: C N

species_pp: C N

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


sg:
Pbca #61
Pbca #61
Pbca #61

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cd O


species: Ca Mg

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

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


species: Ca I


species: Ir Pt

species_pp: Ir Pt


species: Co K

crystal_class_orig: ditetragonal-dipyramidal


species: Dy Si

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ni Ta


species: Nb Pt


species: K Li


species: Ca Cu

Wyckoff_letters_orig: a e

crystal_class: tetrahedral


species: O Zr

crystal_class: orthorhombic-pyramidal


species: Mg Pd

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Tb

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: h i

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: h i


species: Se Ti

crystal_class: monoclinic-prismatic


species: Cu Ti


species: Mn Ta

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ba Sb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: O Sc


species: C Zr

Wyckoff_letters_orig: a e e f

Wyckoff_letters_orig: f f f

Wyckoff_letters: a e e f

Wyckoff_letters: f f f


species: Cu Li

crystal_class: orthorhombic-bipyramidal


Wyckoff_letters_orig: a l

Wyckoff_letters: a l


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg O

species_pp: Hg O


species: Al Y

Wyckoff_letters_orig: e g g

Wyckoff_letters: d f g


species: O Zn

species_pp: O Zn

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Au W

crystal_class: hexoctahedral


species: Cd Hg

species_pp: Cd Hg


species: Hf Mo

crystal_class: ditetragonal-dipyramidal


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Bi Ti

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Mo O

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: Y Zr

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Sc Zr


species: F Zn

species_pp: F Zn

crystal_class_orig: tetrahedral


species: Br Ta


crystal_class: dihexagonal-pyramidal


species: Cl Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: I Ti

crystal_class: ditrigonal-scalahedral


species: Ca H

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Mg

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ba Si


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mg Nb


species: O Rb


species: O Ta

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Mn Ni


species: Co Cu

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Co Mn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co Ni

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cr Mn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr W


species: Cr Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cu V


species: Ti Zn


species: Co Cr

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Co V


species: Cr Cu


species: Cr Ni


species: Fe W


species: Mo Ti


species: Mo W


species: V Zn


species: Hg S

species_pp: Hg S


species: Hg Ho

sg2:
Pnma #62
Pmmn #59
P4/mmm #123


species: Hg Mg


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg Te

species_pp: Hg Te

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Yb

species_pp: Hg Yb

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cs K


species: K Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li Nb


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Rb


species: Mg Ta

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Rb Ta


species: Hg Li

crystal_class_orig: diploidal

crystal_class: diploidal


species: O Pb

Wyckoff_letters_orig: d c e


species: Dy O

Wyckoff_letters: b a


species: O Yb

species_pp: O Yb


species: Ho Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Er Ni


species: Ho Ti