species: Cd Mo

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cr Zr

Egap_DOS_type: metal

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_type_orig: centrosymmetric

point_group_structure_orig: dihedral

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: trigonal

crystal_class: ditrigonal-scalahedral

point_group_type: centrosymmetric

point_group_structure: dihedral

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 z2


species: Cr I

Egap_DOS_type: half-metal

Bravais_lattice_orig: TET

lattice_variation_orig: TET

lattice_system_orig: tetragonal

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Fe I

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: i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m

Wyckoff_site_symmetries: m m m


species: I Li

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: b d h

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: b d h


Bravais_lattice_orig: ORCF

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCF

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

Bravais_lattice_lattice_type_orig: ORCF

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Bravais_lattice_lattice_type: ORCF

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCF

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

Bravais_lattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT


Egap_DOS_type: insulator

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a a

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


species: I Ni

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j

Wyckoff_letters: a h i

Wyckoff_site_symmetries: m m 1


species: Be I

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: I Zr

sg:
Pnma #62
Pnma #62
Pnma #62

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: a a a

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: c d


species: Ag I

species_pp: Ag I

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL


species: I Sn

species_pp: I Sn

crystal_system: hexagonal

crystal_class: dihexagonal-pyramidal


reciprocal_lattice_type: BCT


Wyckoff_letters_orig: e e e e

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e e


crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c b b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c b b


species: Ba I

reciprocal_lattice_type: RHL

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


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Co Rh

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: I Zn

species_pp: I Zn

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: 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

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


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: Al I

species_pp: Al I

crystal_class_orig: rhombohedral

point_group_structure_orig: cyclic


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: Ga I


species: Cu I

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: Fe Ir

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cd Mo


species: Cr Rh

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Hg V

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Re Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Zn


species: Ru V


species: Au Ir

species_pp: Au Ir

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

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_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: Au Ta


species: Cr Ta

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Wyckoff_letters_orig: c i

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: b f

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

aflow_prototype_params_list_relax: a b/a c/a x3


species: Au Cr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au Zr

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mg O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: h g o

Wyckoff_letters: g h o


species: Pd Ta


species: Au Zn

species_pp: Au Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

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: Ru Y

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Hf Mo


species: Nb Ti

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ta Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d

aflow_prototype_params_list_orig: a c/a x3


species: W Zr

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ag Mn

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_type_orig: enantiomorphic

point_group_structure_orig: alternating

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

point_group_structure: symmetric

Wyckoff_letters: c e d


species: Cd Se

species_pp: Cd Se

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ir Ni

Wyckoff_letters_orig: b f


species: Pt W

crystal_class_orig: dihexagonal-pyramidal


species: Hg La

species_pp: Hg La


species: Au V


species: La Ti


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: La W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni Re

crystal_class: ditrigonal-dipyramidal


species: Re Zr


species: Ag Pt

species_pp: Ag Pt


species: Co Nb

point_group_structure_orig: symmetric


species: Mn Nb


species: K Li

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Re V

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3


species: Cr Sc

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

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

aflow_prototype_params_list_orig: a b/a c/a x2


species: Cr Mg


species: O Ta

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: e e


species: K Mg


species: Ca F

Wyckoff_letters_orig: c c


species: O V

Wyckoff_letters_orig: a e f

Wyckoff_letters: c e f


species: Li Zn


sg2:
Cc #9
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

point_group_structure: cyclic


species: Pb Te

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: tetragonal-scalenoidal


species: Ni O

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: Nb O

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: S Tl


sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters: c c


species: Se Sn

species_pp: Se Sn


species: O Zr


species: Co Mg


species: I Mg


species: Ce Ni

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca Co

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu F


species: Mn Rh


species: Cr F


species: F Ga

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Er Ir

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca O


species: Bi O


species: Fe Pt


species: Ni O

Wyckoff_letters_orig: a d e e

Wyckoff_letters: e e

Wyckoff_letters: a d e e


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: F Mn

crystal_class: rhombohedral


species: O Se

species_pp: O Se

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: I Nb


species: O V

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: K Mg

crystal_class: ditrigonal-scalahedral


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pr Sn

species_pp: Pr Sn

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: c f g

Wyckoff_letters: c e

Wyckoff_letters: c f g


species: I Mn

Wyckoff_letters_orig: a d d


species: Li O


species: Hg O

species_pp: Hg O


species: Ca Mg


species: Co O

species_pp: Co O


species: Se Sn

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Co Mg

crystal_class: ditetragonal-dipyramidal


species: Mn Zn


species: O Pr

species_pp: O Pr


species: Ca Mn

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Au Hf

crystal_class: hexoctahedral


species: C N

species_pp: C N


species: F Sr


species: C Th


species: Pt Y

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a l o

Wyckoff_letters_orig: d k n

Wyckoff_letters: a l o

Wyckoff_letters: d k n


species: Cd Ti


species: Au Cd

species_pp: Au Cd

point_group_Schoenflies: T

point_group_structure: alternating


species: Li Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Bi Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Co Ti


species: Cu Hf


species: Pd Ta


species: Pb Te

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: Cr Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mn Pd


species: Au Hg

species_pp: Au Hg


species: I Nb


species: O Os

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a


species: Sn Te

species_pp: Sn Te

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: e e

Wyckoff_letters: b a e e e


species: Cd Mn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Al O

species_pp: Al O

Wyckoff_letters_orig: c f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f


species: Li Mn

crystal_class_orig: ditetragonal-dipyramidal


species: I V

crystal_class: hexagonal-trapezoidal


species: Hg O

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i 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: O Zn

species_pp: O Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


species: Al Ni

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ge O

crystal_class: diploidal


species: Fe Mn

crystal_class_orig: hexoctahedral


species: Ca Co

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Mo


species: Cu Os

crystal_class_orig: ditrigonal-scalahedral


species: Hf O

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m


crystal_class_orig: hexagonal-trapezoidal


species: O Sr

crystal_class_orig: orthorhombic-pyramidal

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


Wyckoff_letters_orig: a h


species: Ca Cr

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li O


species: O Re


species: O Zr

Wyckoff_letters_orig: a b c

Wyckoff_letters: b a c


species: Ag Bi

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

aflow_prototype_params_list_relax: a b/a c/a y2


species: Cu O


species: Fe Nb

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: O Sn

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

reciprocal_lattice_type: TRI

Wyckoff_letters: a a a a a a a a


species: Bi O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ti Zn

Wyckoff_letters: a h


species: Cr Re

crystal_class_orig: diploidal


species: N Si

species_pp: N Si

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: b c d e e i i i i

crystal_class: tetrahedral

Wyckoff_letters: b c d e e i i i i


species: O Zn


species: Cu I

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: F Mn


species: Ca Tc

crystal_class_orig: dihexagonal-dipyramidal

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 Mg


Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a b

Wyckoff_letters: a a b c e


species: Ge Sn

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f


species: I Nb

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f

crystal_class: ditrigonal-scalahedral


species: Hf Zn

aflow_prototype_params_list_relax: a c/a z3


species: K Li

crystal_class: ditetragonal-dipyramidal


species: Mn O

Wyckoff_letters_orig: e e


species: O Os

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Os Tc


species: Sc W

Wyckoff_letters: a f


species: Ca V

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Bi O

Wyckoff_letters: a e d


species: Ca Fe

Wyckoff_letters_orig: a l


species: Au Ir

species_pp: Au Ir

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cr F

crystal_class_orig: rhombohedral


species: Fe O

Wyckoff_letters_orig: a c c

Wyckoff_letters_orig: c c d

crystal_class: hexoctahedral

Wyckoff_letters: d a


species: Cr Li


species: Ti V


species: Co O

sg:
Pnma #62
Pmmn #59
Pmmn #59

sg2:
Pnma #62
Pmmn #59
Pmmn #59


species: F Ti


species: Nb Ta


species: Ca Pb


species: Li Pb


species: Cr Ti


species: Cu Mo

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


species: Mo Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni Zn


species: V W

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Co Mo


species: Cr Mo


species: Cu Mn


species: Cu Ni

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cu Zn


species: Fe Mn


species: Fe Mo

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mn Mo


species: Mn Ni


species: Mo Ti


species: Co Cr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3


species: Cr Mn


species: Cr Ti


species: Cr V


species: Cu W


aflow_prototype_params_list_relax: a b/a c/a x2


species: Fe Ti


species: Fe V


species: Mn V


species: Mn Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Ho

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hg S

species_pp: Hg S


species: Cs Li


species: Li Nb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Li Rb


species: Li Ta


species: Rb Ta

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Li


species: Cr Dy


species: Cu Er

Wyckoff_letters_orig: a c


species: Tb Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ce Yb

species_pp: Ce Yb


species: Co Pr

species_pp: Co Pr


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Dy Er


species: Dy Ho


species: Dy Tb


species: Ho V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Nd Sm


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Co I

species_pp: Co I


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I In


species: I Pb


species: Cd Ta


species: Hf W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ag Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au Ta

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cu Hf

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hf Tc


species: Mo Nb


species: Ru Zn

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Ag Tc


species: Co Hg

species_pp: Co Hg


species: Tc V

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: La Mo

Wyckoff_letters: c e d


species: Ag V


species: Cr Rh

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Y


species: Hf Mo

sg:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Cd Sc


species: Ta Tc

Wyckoff_letters: a c


species: Ag Sc


species: Au Cd


species: Ca I

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Co I

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i


species: Cr I

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Fe I

crystal_class_orig: hexagonal-pyramidal


crystal_class_orig: monoclinic-domatic


species: I K


species: I Li


species: I Mg


Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


crystal_class_orig: ditetragonal-dipyramidal


species: I Ni

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c c

Wyckoff_letters: b c


species: Be I


Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: I Sn

species_pp: I Sn

crystal_class_orig: orthorhombic-bipyramidal


species: I Sb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i


species: I Pb

crystal_class_orig: ditrigonal-scalahedral


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Ta


species: Cu I

Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n

Wyckoff_letters: d a


species: I Sr


species: Ir Ru


species: O Y

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e


species: Ag Hf


species: Ag Mn

crystal_class_orig: hexoctahedral


species: Fe Nb

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Nb


species: Rh W


species: La Re

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ta W


species: Cr Rh


species: Hf Y


species: Fe Te


species: La Y


species: Mn Pt


species: Ni Pd


species: Cu Pt

Wyckoff_letters_orig: c d


species: Re Zr

Wyckoff_letters_orig: a e


species: Hf Sc


species: Ta Tc


species: Nb O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Mo Nb


species: Mo Zr


species: Nb W

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Ta Zr


species: Pt Zn

species_pp: Pt Zn


species: Cd Tc


species: Au Cu


species: Au W


species: Cd Y


species: Pd Zr


species: Ag Nb


species: Ni Re


species: Fe O

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Hg La

species_pp: Hg La

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters: a e


species: Ca Fe


species: O V

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O W


species: O Tc

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: O Ti


species: Mo O

Wyckoff_letters_orig: i i i i

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

Wyckoff_letters: i i i i

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


species: K Mg


species: Pt Ru


species: Gd H

species_pp: Gd H

Wyckoff_letters: b f


species: Cd Cr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Cr


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd V


species: Hg O

species_pp: Hg O


species: Hf Zn


species: Co Zn

species_pp: Co Zn


species: Ni Pd


species: Co O

species_pp: Co O

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: O Tb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Bi Cs

aflow_prototype_params_list_relax: a c/a x3


species: Se Zn

species_pp: Se Zn

crystal_class: orthorhombic-bipyramidal


species: F Ni

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c


species: I Tc

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Rh Y


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Ir


species: Cr Zn


species: O W

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a


species: K Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ru Ti


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Dy O

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Nb O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: F Ti


species: Bi O

crystal_class_orig: ditrigonal-dipyramidal


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


species: Cr Nb


species: F Mn


species: Mo Y


species: Cr Cu


Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd O

species_pp: Cd O

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b c


species: I Mg


species: Ca K

sg2:
Pnma #62
Pnma #62
Imma #74


species: Cr O


species: Nb Zr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: Cu I

crystal_class_orig: tetrahedral


species: Se Zn


species: Cr Ta


species: Er O


species: Al H

species_pp: Al H

crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pedial

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


species: F Ga

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: O Ti


species: O Si

species_pp: O Si

Wyckoff_letters_orig: f g j

crystal_class: tetrahedral

Wyckoff_letters: f g j


species: O Zr

Wyckoff_letters_orig: g g g g g g g g

Wyckoff_letters_orig: e f g g g

Wyckoff_letters: g g g g g g g g

Wyckoff_letters: e f g g g


species: Li Zn


species: Ca Mn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: I V


species: Co Tb


species: Ca F


species: La Mg


species: Ca Co


species: Fe O


species: Hg O


species: Ir O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ga Ru

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70


species: Nb O


species: Ca O

Wyckoff_letters_orig: i i i i


Wyckoff_letters_orig: c c c


species: W Zn


species: Sm Te

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ag Mo


species: Nd S

species_pp: Nd S

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni Pt


species: Nd Pd


species: Dy Ge

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b

Wyckoff_letters: a b b


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Bi


species: He Si

species_pp: He Si

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

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


species: O V

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i i

Wyckoff_letters: a i


species: O Re

sg:
Pnma #62
Pnma #62
Pnma #62


Wyckoff_letters_orig: g h h h

Wyckoff_letters: g h h h


species: Cr Li


species: Cr O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a d e e

Wyckoff_letters: a e


species: Ca Li

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Mo Ta


species: Au Zn

species_pp: Au Zn


species: Ce Se

species_pp: Ce Se

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a


species: F Sc

Wyckoff_letters: c c c


species: F Sr


species: Br W

Wyckoff_letters_orig: f f f f g g

Wyckoff_letters_orig: f g

Wyckoff_letters: f f f f g g

Wyckoff_letters: f g


species: As La

species_pp: As La

Wyckoff_letters: e e


species: Nb O


species: Co Se

species_pp: Co Se

crystal_class_orig: ditetragonal-dipyramidal


species: Fe Li


species: Ag Au

species_pp: Ag Au

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e


species: Y Zr

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Li O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Co O


species: La Re


species: Cu F

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a b

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

Wyckoff_letters: a a a a b

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


species: Hg Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd Co

species_pp: Cd Co

crystal_class_orig: orthorhombic-bipyramidal


species: Ca Tc


species: Hg Th

crystal_class: dihexagonal-dipyramidal


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Er O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Cu K


species: I Mn

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: Ge S


species: F Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co K

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: O Pd

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a


species: I Tc

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c

crystal_class: hexoctahedral


species: Te Zn

species_pp: Te Zn

sg2:
Cc #9
Cc #9
Cc #9

crystal_class: monoclinic-domatic


species: Ca I

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Cr O


species: Sc Ti


species: Ca Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni Sc

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O W

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Nb O


species: Au Cu

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

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Fe O


species: Ca Pb


species: Cs Pb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li Pb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mo Ni


species: Ni W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co W

sg2:
Immm #71
Immm #71
Immm #71


species: Cr Cu


species: Cr Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr Zn


species: Fe Ti


species: Fe Zn


species: Mn V


species: Ni Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Mo

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cu Ti


species: Mn Mo

Wyckoff_letters_orig: c g


species: Mn W


crystal_class_orig: diploidal

crystal_class: diploidal


species: F Ta

Wyckoff_letters_orig: a a a

Wyckoff_letters: c d


species: Hg Li


species: Hg S

species_pp: Hg S


species: Hg Te

species_pp: Hg Te

sg2:
Pnma #62
Cmcm #63
Cmcm #63


species: Ca Nb


species: Cs K


species: Cs Mg


species: Li Nb

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c


species: Mg Rb


species: Cl Rb

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Ce O

species_pp: Ce O


species: Pr Zn

species_pp: Pr Zn

Wyckoff_letters_orig: a h


species: Tb Ti


species: Nd Zn

species_pp: Nd Zn


species: Cs F


species: O Pb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i i


Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal


species: Ca F

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cu Ho


species: Ce Dy


species: Co Ho


species: Cr Ho


species: Dy Ho


species: Er Mn


species: Fe Pm


species: Gd Mn


species: Gd Zn

species_pp: Gd Zn


species: Nd Ti


species: Ni Pr


species: Sm Tb


species: Sm Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Sm Yb


species: Ti Yb


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


species: I Ni

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal

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

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


species: Ge I


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Mn Tc

Wyckoff_letters: a d


species: Mo Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Zn Zr

Wyckoff_letters_orig: a i

Wyckoff_letters: a i

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


species: Au Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg Ta


species: Pd Rh

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ag Sc


species: Co Nb


species: Sc W

crystal_class_orig: dihexagonal-dipyramidal


species: Au Zr


species: La Tc


species: Cu Pm


species: F Sr

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c


species: Ag La

species_pp: Ag La


species: Pt Y


species: Sc Zr


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ho Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Pt Sc


species: Al O

species_pp: Al O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Re W


species: Cu Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Nb


species: Nb Zn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Ti

Wyckoff_letters_orig: g h i

Wyckoff_letters: g h i


species: Mn O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: c c

crystal_class: rhombohedral

Wyckoff_letters: c c


species: Ta W

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca I

sg:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: tetrahedral


species: I K


sg:
Pmmm #47
Pmmm #47
Pmmm #47


species: I Li


species: I Mg


crystal_class_orig: ditetragonal-dipyramidal


species: I Ni

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: d i i i

Wyckoff_site_symmetries: 2/m m m m


Wyckoff_letters_orig: c d


species: Cd I

species_pp: Cd I

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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


Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: I In

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: I Sn

species_pp: I 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: Ba I

crystal_class_orig: tetragonal-trapezoidal


species: Hg I

species_pp: Hg I


species: I Pb

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a c

Wyckoff_letters: c c c

Wyckoff_letters: a c


species: Ir Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ir Rh


species: Cu I


Wyckoff_letters_orig: a b

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: I Sr


species: Ag F

species_pp: Ag F

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Os Pt


species: Ag Bi


species: Co Sc


species: Cr Ta

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Hf Ru

crystal_class: ditrigonal-dipyramidal


species: Os Y


species: Au Ta

Wyckoff_letters_orig: a h


species: La Re

crystal_class: dihexagonal-dipyramidal


species: Ni Rh


species: S Sb

species_pp: S Sb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ni Zr


species: Pt Ru


species: Tc W

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ag Au

species_pp: Ag Au

crystal_class_orig: hexoctahedral


species: Hf Ta


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hf V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Mo Zr


species: Nb W


species: Nb Zr


species: Ti Zr

sg2:
Pnnm #58
Immm #71
Immm #71


species: W Zr


species: Co Zr


species: Cr Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ag Ni

sg:
Immm #71
Immm #71
Immm #71


species: Mo Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Rh Zr


species: Bi O


species: Cu Tb


species: C N

species_pp: C N

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a b c d

Wyckoff_letters: c d

Wyckoff_letters: a b c d


species: O Sr


species: O V

Wyckoff_letters_orig: h h i

Wyckoff_letters_orig: a f f h

Wyckoff_letters: h h i

Wyckoff_letters: a f f h


species: Ca Li


species: Ca Ti


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


species: Cd W


crystal_class_orig: monoclinic-domatic

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

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


species: I Mg


species: Mn Ni


species: Co Cu


species: Cr Mo


species: La Tc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cd Ru


species: F Nb


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ti V


species: Cs F


species: Cl Ru


species: Cd P

species_pp: Cd P

crystal_class: tetragonal-trapezoidal


species: Pd Zn

Wyckoff_letters_orig: a d


species: Fe O


species: Ni O

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

crystal_class: ditetragonal-dipyramidal


species: K Li

crystal_class: hexoctahedral


species: O Zr

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: O Yb

species_pp: O Yb


species: Al Y

Wyckoff_letters_orig: b c c

Wyckoff_letters: d g f


species: S Sn

species_pp: S Sn


species: Ta Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ge Te


species: Li Mn

Wyckoff_letters_orig: a b


species: O Sc

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ca Mn


species: Hg Os

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Ti


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Nb Sc

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: Cs Xe

Wyckoff_letters_orig: b c


species: Er Ga

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: F Mn

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: Dy 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: c d e f k k


species: Bi La


species: Ti V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ni Re


species: Nb V


species: Cu Pt

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O V


species: Cu O


species: Ir Ni

crystal_class_orig: dihexagonal-pyramidal


species: Ba N

Wyckoff_letters_orig: i k m

Wyckoff_letters: i k m


species: O Ru

crystal_class: ditrigonal-scalahedral


species: I Mn


species: Ca H


species: Cr Mg

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Fe

Wyckoff_letters_orig: a c k


species: O W

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c e f f f

Wyckoff_letters_orig: c f

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: c e f f f

Wyckoff_letters: c f


species: Fe O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: W Zn


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Y

sg:
Pccn #56
Ibam #72
Ibam #72

sg2:
Pccn #56
Ibam #72
Ibam #72

Wyckoff_letters_orig: c e

Wyckoff_letters: a f


species: Li O

sg2:
Pnnm #58
Pnnm #58
Immm #71


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


crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b c


species: K Li


species: Cu Os


species: Ca Mg

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Mg O

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: c c

Wyckoff_letters: a b b

Wyckoff_letters: c c


species: Ag Rh


species: Au Pb


species: F Ta

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: Bi Sb

Wyckoff_letters_orig: b b a a c

Wyckoff_letters: b b a a c


species: Bi Ti


species: Cu K

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Pb Se

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m

crystal_class: monoclinic-prismatic

Wyckoff_letters: c b

Wyckoff_letters: m n


species: Ca Fe

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O V


species: F Ti

crystal_class: orthorhombic-bipyramidal


species: Se Sn

species_pp: Se Sn

sg2:
Pbca #61
Pbca #61
Pbca #61

crystal_class: diploidal


species: I Ti


species: Mn Nb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hf Ti


species: H Zr

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Ca O


species: Ca Tc


Wyckoff_letters_orig: a a


species: O Tc


species: N W


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Li Ni


species: Ho Pd

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: c f g

Wyckoff_letters: c e

Wyckoff_letters: c f g


species: I Nb


species: Nb V

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Nb Ta

Wyckoff_letters_orig: a e


species: Mg Pt

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c c


species: La Tc


species: O Sn


species: Cd Cs


species: I Mn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca Li

Wyckoff_letters: b c


species: In Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Ni

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Cr O

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Sb V


species: Nd O

species_pp: Nd O


species: O V

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Bi Ti


species: O Pd

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

Wyckoff_letters: b b b


species: Mn O

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: Co K

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Ca F

Wyckoff_letters_orig: a a

Wyckoff_letters: c c


species: Fe K


species: Li Ni


species: Cd O

species_pp: Cd O


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

Wyckoff_letters: f g

Wyckoff_letters: e h


species: Li Tc

crystal_class_orig: dihexagonal-dipyramidal


species: Os Ta


species: Cd Mn


species: N Os


species: Ni Te

crystal_class_orig: diploidal


species: Os Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: F Ni

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: O Sr

Wyckoff_letters: d c


species: Fe I


species: O W

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b


species: Cd V


species: Au Ti


species: Co Fe


species: Ni O

Wyckoff_letters: a b


species: Ba C


species: Nb Zr


species: Os Rh


species: O Tb

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: o i x

Wyckoff_letters: q k


species: Ca Ni


species: Cr N


species: Ca Mn

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Nb Ti


species: Mg O


Wyckoff_letters_orig: c c


species: F Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn Mo


species: O Re


species: B N


species: Ca Mg

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: La Mg


species: C Zr

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: c e

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: b a d

Wyckoff_letters: c e


species: Cu K


species: O Sn

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a


species: Cu F

crystal_class_orig: ditetragonal-dipyramidal


species: O Ta

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d

Wyckoff_letters: c c


species: Pb Rb

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mg Pb

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Co Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Zn


species: Cu Mn


species: Cu Mo

Wyckoff_letters: b l


species: Cu Ni


species: Cu V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Mo

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe Ti


species: Mo Ni


species: Mo Zn


species: Ni Ti

Wyckoff_letters_orig: a i

Wyckoff_letters: a d


species: Ni W

crystal_class_orig: tetrahedral


species: V W

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Co Zn

species_pp: Co Zn

crystal_class_orig: ditrigonal-scalahedral


species: Cr Ni

Wyckoff_letters_orig: b l


species: Cr Ti

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c


species: Cr W


species: Cu Zn

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Fe V

crystal_class_orig: hexoctahedral


species: Mn Ti


species: Mn W


species: Mn Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mo Ti

crystal_class: dihexagonal-dipyramidal


species: Ti Zn


species: V Zn


species: O Pb

Wyckoff_letters_orig: f g i

Wyckoff_letters: f g i


crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cl Pb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Ta

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: b d


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hg In


Wyckoff_letters: c c


Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: Hg Rb


species: K Nb

crystal_class: hexoctahedral


species: K Ta


species: Li Nb


crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Li Rb

crystal_class: ditrigonal-scalahedral


species: Mg Rb


species: Pb Ta


species: Hg Li


species: Ho O

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: Ni Sm


species: F Nb

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Cr Eu


species: Cr Pm

crystal_class: ditrigonal-dipyramidal


species: Cu Nd


species: Cu Sm

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Er Yb


species: Mn Nd

Wyckoff_letters_orig: c d e


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hg I

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Ge I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


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: Cd Cr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Os


species: Hf La


species: Pd V


species: Os Tc


species: Os Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pd Sc


species: Re Rh


species: Cd Pd


species: Ni 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: Re Ti


species: Co Eu

species_pp: Co Eu


species: Hg V


species: Cd V


species: Ir Y


species: Al O

species_pp: Al O

Wyckoff_letters_orig: e f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f


species: Ru Zr


species: Mg O


species: Ca I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a


species: Co I

species_pp: Co I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I K


species: I Li

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I Mg

crystal_class_orig: monoclinic-prismatic

crystal_class: orthorhombic-bipyramidal


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I In


species: I Sn

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

Wyckoff_letters_orig: c c c c b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c b


species: Ba I

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c d d d d

Wyckoff_letters: a c d

Wyckoff_letters: c d d d d


species: I Pb


species: Hg Sc


species: I Tc


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b e

Wyckoff_letters: e e

Wyckoff_letters: a b e


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Sc V

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Cr Pd

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Nb W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ba Te


species: Hg La

species_pp: Hg La

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ir Mo

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Rh Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Sc W


species: Cd Tc


species: Cd V


species: Au Ir

species_pp: Au Ir


species: Pd Tc

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Hf W


species: Hf Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg Ni


species: Mn Pt


species: Cr Re


species: Cu Ta


species: Nb Ta


species: V Y


species: Ag Ti


species: Sc Zn


species: Co K


species: O Ti


species: B Si


species: Li V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Ni


species: Cd Zn

species_pp: Cd Zn


species: Cl Zn

species_pp: Cl Zn


species: I V

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters: g g


species: Ca Mn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ir O

species_pp: Ir O


species: O Ta

Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a

Wyckoff_letters: a a


species: Mo O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Ni Zn


species: Cd V


species: Au Tc

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-dipyramidal


species: O Os

crystal_class_orig: ditetragonal-dipyramidal


species: Cd Mo

crystal_class_orig: ditrigonal-scalahedral


species: Ni Ti

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a c b d d

Wyckoff_letters: b a c c


species: Cd Cs


species: Fe Mn


species: Ni S

crystal_class_orig: diploidal

crystal_class: diploidal


crystal_class: ditetragonal-dipyramidal


species: C Ir

species_pp: C Ir


species: Al Pt

species_pp: Al Pt

sg:
Pnma #62
Pnma #62
Pmmn #59

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-pyramidal


species: O Pr

species_pp: O Pr

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


crystal_class: ditrigonal-scalahedral


species: Mn O


species: O Sr


species: Li O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: F Fe

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ir O

Wyckoff_letters: c c


species: K Sb

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: 2/m m m


species: Fe Ir


species: Au Ta


species: I V

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: O Re

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Li V


species: Ca Ge

Wyckoff_letters_orig: c d d d

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c d d d

Wyckoff_letters: c c d d


species: Sc Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Zr


species: Ti Zn


species: Cd Sc


species: O Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


crystal_class_orig: orthorhombic-pyramidal


species: Fe K


species: Pd V

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Gd O

species_pp: Gd O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: F Ti


species: Mn O


species: Ca Zn

crystal_class: ditrigonal-dipyramidal


species: Bi V


species: Co F

species_pp: Co F


sg:
Fmmm #69
Fmmm #69
Fmmm #69


species: Ca O


species: Co Mg


species: Bi Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Li


species: Cr O

Wyckoff_letters_orig: g e n

Wyckoff_letters_orig: h f n

Wyckoff_letters: g e n

Wyckoff_letters: h f n


species: O V

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pedial


species: Co O

species_pp: Co O


species: Ca F

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Ni Sc


species: O Zn

species_pp: O Zn

sg:
Pbcm #57
Pbcm #57
Pmma #51

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Cd Fe


species: Mg O

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c


species: Li Ni

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Co Li

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Sc V


species: Cr Li


species: K Mg

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Au Tc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: N Re


sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Cr Ni


species: I Mg


Wyckoff_letters_orig: a f h


species: Cu H


species: Nb O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i

Wyckoff_letters: i i i


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: O Tb

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Fe O

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e e


species: O V

Wyckoff_letters_orig: f g i

Wyckoff_letters: f g i


species: Ca Li

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Fe

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


Wyckoff_letters_orig: a a a a c b d d

Wyckoff_letters_orig: d d d d d d

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a a c b d d

Wyckoff_letters: d d d d d d


species: Ir Pb


species: Mo O


species: Cr Mg


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Tc Y

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Ca Zn


species: Si Tb

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F V


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f

Wyckoff_letters: e f


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: a b d

Wyckoff_letters: a c


species: O Ru

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


species: Li Tc


crystal_class_orig: ditrigonal-dipyramidal


species: Li Sn

Wyckoff_letters_orig: a c g j p q

Wyckoff_letters_orig: h i

Wyckoff_site_symmetries_orig: mmm mmm 2mm m2m ..m ..m

Wyckoff_letters: a c g j p q

Wyckoff_letters: h i

Wyckoff_site_symmetries: mmm mmm 2mm m2m ..m ..m


species: W Zr


species: Hf Pd

Wyckoff_letters_orig: b c


species: I Nb

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

Wyckoff_letters_orig: c c c c c c c c b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c c c c c b


species: Nb Zn


species: Mn Ru


species: Mg O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: d i


species: Li Mg

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Zr

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: a k

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: k l

Wyckoff_letters: a k


species: O Si

species_pp: O Si

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Ti

Wyckoff_letters_orig: a b


species: I V

Wyckoff_letters_orig: a c


species: Cr O

Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: d a


species: Cd Mn

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Co Y

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O W

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ca V


species: Cd W

Wyckoff_letters: a c


species: Ca Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F V

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: O Sc

Wyckoff_letters_orig: e e

Wyckoff_letters: d c


species: Ca F

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ho Tc


species: O Ta


species: B Nb

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f

Wyckoff_letters: a f


species: Mn Zn


species: Ni Ti


species: Co Fe


species: Co W

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co Zn

species_pp: Co Zn

crystal_class_orig: ditrigonal-scalahedral


species: Cr Ni

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cr V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cu Fe


species: Cu W


species: Fe Zn


species: Mn Mo

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Mn V


species: Mo W

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mo Zn

crystal_class: hexoctahedral


species: Ti Zn


species: W Zn

crystal_class: ditrigonal-scalahedral


species: Co Mn


species: Cr Zn


species: Cu Ni


species: Fe Ni


species: Mn Zn


species: Mo Ni


species: Mo V


species: Ni Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ni V


species: Ti W

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Pb

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hg In


species: Hg S

species_pp: Hg S


species: Cs Li


species: Cs Mg

crystal_class: tetrahedral


Wyckoff_letters_orig: a c


species: Hg Li


sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb


sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: Mg Ta


species: Cl Mg

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


species: Cs F


species: Fe W

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Cr Eu


species: Mn Tb


species: Cr Nd


species: Ho Zn


species: Ce Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Ta

sg:
Ama2 #40
Cccm #66
Cccm #66

sg2:
Ama2 #40
Cccm #66
Cccm #66

Wyckoff_letters_orig: b c

Wyckoff_letters: c g


species: F Nb

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ho Ni

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d


species: Er Ni


species: Ce Ho

Wyckoff_letters: a c


species: Ce Nd

species_pp: Ce Nd


species: Co Dy


species: Co Pr

species_pp: Co Pr

Wyckoff_letters: b c


species: Cr Ho


species: Cr Yb

Wyckoff_letters: b g


species: Dy Gd


species: Dy Sm


species: Sm Yb


species: Ba I

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Co I

species_pp: Co I


species: Ag I

species_pp: Ag I

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Zr

crystal_class_orig: triclinic-pinacoidal

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

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

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

Wyckoff_letters: i i i


species: Ag Pd


species: Cd Hf

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

sg2:
Pnnm #58
Immm #71
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Co Ta

crystal_class_orig: tetrahedral


species: Mg O

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Mo Zr


species: Rh Sc


species: Cr La


species: Pt Rh

Wyckoff_letters: a e


species: Rh W

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ru Tc


species: Tc V


species: Cd Rh


species: Co Os


species: Cr Nb


species: Ni Y


species: Pd V

crystal_class_orig: hexoctahedral


species: Cr Hf


species: Cr Ir

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr Sc


species: Pt W


species: Ag Rh

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Re Ru

Wyckoff_letters: c c c


species: Re V

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Zn Zr


species: Ag Zn

species_pp: Ag Zn

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Au Hf


species: Cu Zr


species: Ca I

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Co I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: a a b c e


species: I Mg


species: I Ni

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ge I


species: I Rb


species: I Zr

Wyckoff_letters_orig: a a a

Wyckoff_letters: c d


species: Ag I

sg:
Pnnm #58
Immm #71
Immm #71


species: Cd I

species_pp: Cd I


species: Ba I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Au Nb

Wyckoff_letters: a d


species: Co Sc


species: Hf Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: Ni Pd


species: Cu I

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Al I

species_pp: Al I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a


species: Cd Hf


species: Rh Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Sc Y


species: Ag La

species_pp: Ag La


species: Os Ti

Wyckoff_letters_orig: a d


species: Ta Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Cr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ag Re


species: Ag Y


species: Au 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: Ta Ti


species: Mo Y


species: Cd V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Os Tc


species: Tc V


species: Hf Tc


species: Hg V


species: Ir Sc


species: Pd Sr


species: Re Ti


species: Ru Zr

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Mo Pt


species: Cd Ir

species_pp: Cd Ir

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Hf Mo

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hf Ta


species: Hf Ti


species: Hf W


species: Mo Zr


species: Nb Ti

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: W Zr

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: La Os


species: Mo Os


species: Nb Ru


species: Sc Y


species: Au Mo

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Co Hg

species_pp: Co Hg


species: Pd Y


species: Ir Nb


species: Ir La

species_pp: Ir La

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Hg


species: Sc Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hf Mn


species: Mg Si


species: O Sc

Wyckoff_letters_orig: c f


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a a c c d

Wyckoff_letters_orig: a a c d d

Wyckoff_letters: a a c c d

Wyckoff_letters: a a c d d


species: Mn Pd

Wyckoff_letters_orig: a e j k

Wyckoff_letters_orig: b c d f s t

Wyckoff_letters: a e j k

Wyckoff_letters: b c d f s t


species: Cr Mg


species: O Rh

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: O Tc


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Rh Tc

crystal_class_orig: diploidal

crystal_class: diploidal


species: Nb Os


species: Mn O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


Wyckoff_letters_orig: a e e e

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters: a e e e

Wyckoff_letters: e e e e e e e


species: I V


species: La V


species: Ru Ta


species: O Ru


species: Ca Mg

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pb Se


species: Fe Ta

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Fe Sc


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: O Zr

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f


species: O Si

species_pp: O Si

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: c c c c c c c c

Wyckoff_letters_orig: c c c c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Fe O

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a b c


crystal_class: ditetragonal-dipyramidal


crystal_class: hexoctahedral


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: e e


species: F Fe

Wyckoff_letters: b a


species: Li Ni

crystal_class: tetragonal-dipyramidal


species: Ag Ni


species: Ba P

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: O W

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: Ca W


species: Cr O

crystal_class_orig: triclinic-pedial

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

Wyckoff_letters: i i i i i


species: O Sc


species: K Li

crystal_class: tetrahedral


species: Bi O

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: c b

Wyckoff_letters: a g f j


species: Br Ta

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c h

Wyckoff_letters: a d c


species: O Tc

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Mn O

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Tc Y


species: B Pd


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: I O

species_pp: I O

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i i i i


species: Tc Zr

crystal_class_orig: ditetragonal-dipyramidal


species: I V

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: a f


species: Pt Ta

Wyckoff_letters_orig: b f


species: Co Li

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Se Sn

species_pp: Se Sn


species: Au Ga


species: Ca Zn


species: Pb S


species: Ga Li


species: Ge Se


species: Au Pd


species: Rh Te

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cr Mg

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: O W

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

Wyckoff_letters: a j


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ca Mg


species: Cu K

crystal_class_orig: tetragonal-dipyramidal


species: Hf Si

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: O Ru


species: Li Ni

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Re Y

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: I Ti

Wyckoff_letters_orig: a b c

Wyckoff_letters: f e g

Wyckoff_letters: f a


species: Mn Re


species: O Zn


Wyckoff_letters_orig: e e e

Wyckoff_letters: d c


species: Bi O


species: S Zn

species_pp: S Zn


species: Li O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Mn Zr

crystal_class_orig: orthorhombic-bipyramidal


species: Ag La

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ni O

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e


species: Cd Cr

sg:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Sb Te

species_pp: Sb Te

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: F Ni

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal

aflow_prototype_params_list_orig: a c/a y2

aflow_prototype_params_list_relax: a c/a y2


species: O W


species: F Mg

crystal_class: monoclinic-prismatic

aflow_prototype_params_list_orig: a b/a c/a beta

aflow_prototype_params_list_relax: a b/a c/a beta


species: Fe Os

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cd Co

species_pp: Cd Co


species: Cu Mg

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb O

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

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

Wyckoff_letters: a c e e e e e e e e e e

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


species: O Si


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


species: Cd W

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Co F

crystal_class_orig: ditrigonal-pyramidal


species: Mg O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Hg Ta


species: O Sr

Wyckoff_letters_orig: e e e


species: H V

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

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

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

crystal_class: monoclinic-domatic

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

Wyckoff_letters: a a a a

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


species: I Ni


species: Li V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ca F


species: O Ta

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Hf O

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: O Sc


species: I Ti

Wyckoff_letters_orig: a d


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: O W

crystal_class_orig: gyroidal

crystal_class: gyroidal


species: Co Hg

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Zn


species: Os Pt

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Nb V


species: F Ti

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: B K


species: Te Zn

species_pp: Te Zn

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Nb O


species: H Si

species_pp: H Si

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a a a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a a a b


species: C Sc


species: O Os


species: Cu O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a c


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Nb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr V

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Cd Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: I Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca I

crystal_class_orig: ditrigonal-scalahedral


species: O Sb

species_pp: O Sb

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: Ce Se

species_pp: Ce Se


species: O Pt

species_pp: O Pt


species: Tc V

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ca O

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: a c


species: Co Fe

crystal_class: hexoctahedral


species: Cd Pt

species_pp: Cd Pt

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal

aflow_prototype_params_list_relax: a c/a


species: Fe Nb


species: N Tc


species: W Y

Wyckoff_letters: a d


species: Ho Sn

sg:
Cmcm #63
Cmcm #63
Fmmm #69

sg2:
Cmcm #63
Cmcm #63
Fmmm #69

crystal_class_orig: orthorhombic-bipyramidal


species: Bi Ti


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

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


species: As Ni

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mo O

Wyckoff_letters_orig: c c


species: F Mn


species: C O

species_pp: C O


species: Gd Te

species_pp: Gd Te

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Nb Ta

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Co Mn


species: Cr Mn


species: Ni V

Wyckoff_letters: c c


species: Ti V


species: Co Cr


species: Co Mo


species: Co Ti


species: Co Zn

species_pp: Co Zn


species: Cr Ni

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr Ti


species: Cr V

Wyckoff_letters_orig: a d


species: Mn Ti

aflow_prototype_params_list_relax: a c/a x2


species: Mo W


species: V W

Wyckoff_letters_orig: a e


species: Cr Cu


species: Cr Fe

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Mo


species: Cu W

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cu Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Nb

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


species: F Ta


species: Hg K


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

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Hg S

species_pp: Hg S


aflow_prototype_params_list_orig: a c/a


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg Yb

species_pp: Hg Yb


species: O Pb

Wyckoff_letters_orig: g i

Wyckoff_letters: g i


species: Ca Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Li Rb


species: Mg Ta


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Pb


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Li

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cl Nb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Pr

species_pp: O Pr


species: Cr Ho

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_relax: a c/a x4


species: Dy Fe

Wyckoff_letters: a d


species: Pm Zn

species_pp: Pm Zn

Wyckoff_letters_orig: b d


species: Cl Mg

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cu Sm


species: Dy Er


species: Dy V

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f


species: Er Zn


species: Fe Ho


species: Nd V


species: Ag I

species_pp: Ag I

crystal_class_orig: monoclinic-sphenoidal


species: Al I

species_pp: Al I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: I Ni

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


species: Ge I

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


species: I Rb

crystal_class_orig: hexoctahedral


species: I Sn

species_pp: I Sn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Hg Tc

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Nd Zn

species_pp: Nd Zn


species: Ru W

crystal_class: ditrigonal-scalahedral


species: I W

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b b b b b b b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b b b b b b b

Wyckoff_letters: b b b


species: Cd Sc


species: Mn Re


species: Ag Au

species_pp: Ag Au

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Ru

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Zr


species: Cr Y

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Pd


species: Pd Pt


species: Mn Pd


species: Mg O

aflow_prototype_params_list_relax: a b/a c/a


species: I K

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: I Mg

Wyckoff_letters_orig: b d h

Wyckoff_letters: b d h


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a


Wyckoff_letters_orig: a d d

Wyckoff_letters: e a


aflow_prototype_params_list_orig: a c/a x2


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: I Ni


species: I Rb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ag I

crystal_class: orthorhombic-bipyramidal


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b

Wyckoff_letters_orig: a b b b c c c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b

Wyckoff_letters: a b b b c c c c


species: Cd I

species_pp: Cd I


Wyckoff_letters_orig: a a a a a b b c

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

Wyckoff_letters: a a a a a b b c

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


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

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

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


sg:
Pbcn #60
Pbcn #60
Pmna #53

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: e f


species: I Pb


species: Cu Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hf W

Wyckoff_letters_orig: c c


species: Cu I

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Al I

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Cr Re

Wyckoff_letters_orig: a h


species: Fe Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf Rh


species: Cd Cu


species: Hf Ni

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ce Ho


species: Mn Os


species: La Sc


species: Ta Zr


species: Au Mo

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Os Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe La


species: Ir Pt

species_pp: Ir Pt


species: Pt Tc


species: Au Ru


species: Cd Ti


species: Hf Ta

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Ti Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hf Nb

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr I

Wyckoff_letters_orig: c d

Wyckoff_letters: c a

Wyckoff_letters: g j


species: Ag Nb


species: Cd Pt

species_pp: Cd Pt


species: Cr Ir

Wyckoff_letters_orig: b l

Wyckoff_letters: b l

aflow_prototype_params_list_relax: a b/a c/a x3


species: Fe Hf

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Y


species: Au Cu


species: Ru Y


species: Au Re

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Sc W


species: O Ti

crystal_class_orig: orthorhombic-sphenoidal


species: Ag Hf

crystal_class_orig: dihexagonal-dipyramidal


species: Bi O

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


species: O Tc

crystal_class_orig: orthorhombic-pyramidal


species: Co La

species_pp: Co La

crystal_class_orig: ditrigonal-scalahedral


species: Au Hf


species: Cu Mg

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: F K

crystal_class_orig: ditetragonal-dipyramidal


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: F Rb


species: Ho O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: O V


species: Cu Pd


species: Cd Nb

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca Zn


species: Li V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters: a d


sg:
Pnnm #58
Pnnm #58
Immm #71


Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: c c

Wyckoff_letters: b c


species: Mg P

Wyckoff_letters_orig: b f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b f

Wyckoff_letters: a c


species: F Ti

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: O Ru


species: Fe K


species: O W

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: O Sr

Wyckoff_letters_orig: a a


Wyckoff_letters_orig: a d


species: B Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ge Te

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: I Mn

crystal_class_orig: monoclinic-domatic


species: Cu Ti


species: Ni O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: Sc Zn

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Cr F

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: O Pt

species_pp: O Pt

crystal_class: ditetragonal-dipyramidal


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Li Ti

sg:
Cmcm #63
Cmcm #63
Cmcm #63


Wyckoff_letters_orig: a c


species: I Tc

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Mn Pt


species: O Pd

sg:
Pbca #61
Pbca #61
Pbca #61


species: Pb S

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a b


species: Ca Li


species: Re W


species: Ni Pd


species: As Cd

species_pp: As Cd

crystal_class_orig: tetragonal-trapezoidal


species: F Sr

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: d b i


species: Cd F

species_pp: Cd F

crystal_class: diploidal


species: S Sn

species_pp: S Sn


species: Nb Ti


species: Cu F


species: Ce Pb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters: a e i


species: Cr O

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c


species: Os W

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: Ge Se

crystal_class_orig: diploidal


species: Cl Li


species: Cr Y


species: Co Li


species: Cd Re

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co Tb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ge Te

crystal_class: tetragonal-trapezoidal


species: Li P

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Wyckoff_letters_orig: g m m

Wyckoff_letters: g m m


species: O Ti

crystal_class: monoclinic-prismatic


species: Hf Te

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pedial


species: Ni Re

Wyckoff_letters: a c


species: I Nb

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Cr Sb


species: O Pt


species: Mg O

Wyckoff_letters_orig: a d


species: Hg Pt

species_pp: Hg Pt


species: Ag Cu

Wyckoff_letters_orig: a h


species: Ca Tc


species: F V

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: Li O

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e


species: F Fe

Wyckoff_letters_orig: c f g h

Wyckoff_letters: c f g h


species: Cl Re

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Co F

species_pp: Co F


species: Hf Mo

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: K Mg

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Re Sc

crystal_class_orig: ditrigonal-scalahedral


species: Ge S

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: F Mn

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f


species: Ag Au


species: Dy Ga


species: O Zn

species_pp: O Zn

crystal_class_orig: dihexagonal-pyramidal


species: Al As

species_pp: Al As

crystal_class: tetrahedral


species: Ni O


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


species: Ca Ti


species: Ca O

crystal_class_orig: ditetragonal-dipyramidal


species: O V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: Ca Mn


species: B Ti


species: Al F

species_pp: Al F

Wyckoff_letters: a d


species: Li Ni


species: Re Tc

sg:
Immm #71
Immm #71
Immm #71


species: Li O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cr Mg

crystal_class_orig: ditrigonal-dipyramidal


species: Cr Nb


species: Fe Si

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: I Ti

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

Wyckoff_letters: a c h p

Wyckoff_letters: b g

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: Cu O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i


species: Mo Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Mg


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a b b


species: F Fe


species: F Sr


species: Mg Ni

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a


species: Co Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: I Tc

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr F

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: K O


species: Ag W


species: F Mg

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: K Li

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

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Cu Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e


species: O Sr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu Se

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: O V

sg:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: As Ta

crystal_class_orig: monoclinic-prismatic


species: Co Fe


species: Fe Mg

Wyckoff_letters_orig: a d

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a d


species: O Zn

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: d c


Wyckoff_letters_orig: e f

Wyckoff_letters: i i


species: Cu Li

Wyckoff_letters_orig: a g h

Wyckoff_letters: a g h

aflow_prototype_params_list_orig: a b/a c/a beta y3 y4

aflow_prototype_params_list_relax: a b/a c/a beta y3 y4


species: Hf Zn


species: Mo Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Al Mo