species: F Mg

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

lattice_system_orig: orthorhombic

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_system_orig: orthorhombic

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a c/a z2


species: Ga Th

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Cu Rh

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

lattice_system_relax: orthorhombic

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

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

aflow_prototype_params_list_relax: a b/a c/a x2


species: P Sr

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_system_orig: hexagonal

crystal_class_orig: ditrigonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g

crystal_system: hexagonal

crystal_class: ditrigonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: e h

Wyckoff_letters: f g


species: Ag Fe

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

aflow_prototype_params_list_orig: a c/a z2


species: Ca Mn

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: b h

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: V Zr

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: I Mn

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: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

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: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: i i i

Wyckoff_letters: a i

Wyckoff_site_symmetries: m m m


species: Fe Se

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET


species: Mn O

crystal_class_orig: tetragonal-trapezoidal

point_group_type_orig: enantiomorphic

crystal_class: tetragonal-trapezoidal

point_group_type: enantiomorphic


species: Cu Sb

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: c h h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: c h h h


species: Ge O


species: Ti Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ni O

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: a b e

Wyckoff_letters_orig: 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: a d e

Wyckoff_letters: e e e


species: Hf O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Fe O

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: F Zn

species_pp: F Zn


species: Rh Sc

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a e


species: Li Zn

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


species: Co Li

aflow_prototype_params_list_relax: a c/a


species: Li Mg


species: Cr O

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Wyckoff_letters: a b


species: I Tc

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

crystal_class_orig: monoclinic-sphenoidal

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC


species: Os Ti

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Tc

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e f


species: Ge Th


species: Co O

species_pp: Co O

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: F Tl

crystal_class_orig: hexagonal-pyramidal


species: Rh Zn

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Cr F


species: Ca O

reciprocal_lattice_type_orig: ORCF


species: Mg O


species: Ho Pt


species: Pt Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Ni

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: e g


species: Ca Zn


species: La Mo

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: S Zr


species: O Ti

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a a a a


species: F Hf

crystal_class_orig: diploidal

crystal_class: diploidal

Wyckoff_letters: c d


species: O Zn

species_pp: O Zn

sg:
Pbcm #57
Pbcm #57
Cmcm #63

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: c d e e e

Wyckoff_letters: e e e e

Wyckoff_letters: c d e e e


species: Ni O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Au Fe


crystal_class_orig: ditetragonal-dipyramidal


species: Co Ni

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC


species: As Si

species_pp: As Si

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Wyckoff_letters_orig: i i i


species: Ge Se


species: Fe Li

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Au Ho


species: Li Mn


species: N O

species_pp: N O

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Cr K


species: Co Sc

Wyckoff_letters_orig: b l

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a b/a c/a x3


species: Cu In

aflow_prototype_params_list_orig: a c/a


species: Al Dy

Wyckoff_letters_orig: d f g

Wyckoff_letters: d f g


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: f f

reciprocal_lattice_type: MCLC

Wyckoff_letters: f f


species: O V

Wyckoff_letters_orig: i i j

Wyckoff_letters: h i


species: Fe Os

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Wyckoff_letters_orig: c c


species: Cd Hf


species: Ga Gd


species: Ho O

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF


species: I Ti


species: Eu In


species: O W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Cr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Rh Ta

Wyckoff_letters_orig: h i


species: Ce Cu

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb Ni

crystal_class_orig: ditrigonal-scalahedral


species: O Zr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: P Sn

species_pp: P Sn

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Co O

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Bi Sn

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Al O

species_pp: Al 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

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i


species: Ce Sn

species_pp: Ce Sn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a c g h h h

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: g g

Wyckoff_letters: a c g h h h


species: F V


species: Rh Tb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c c


species: Cu La

Wyckoff_letters_orig: c c c c d

Wyckoff_letters: c c c c d


Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: Ti Zn

crystal_class: ditetragonal-dipyramidal


species: O V


species: Cr Mg

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: d i

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

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


species: Ge Sc

Wyckoff_letters: c c


species: Co Mg


Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i i


species: Cr K


species: C Fe

Wyckoff_letters_orig: a b e h i

Wyckoff_letters: a b e h i


species: Cu O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: In Pd

sg:
Pnma #62
Pnma #62
Pmmn #59

Wyckoff_letters_orig: c c


species: C W

crystal_class: dihexagonal-dipyramidal


species: F Ti


species: Li O

crystal_class_orig: ditrigonal-pyramidal


species: O Sr

Wyckoff_letters_orig: a a

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


species: Fe Mg

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Ag Tb


species: Al As

species_pp: Al As


species: Ag W


species: Li Mg

crystal_class_orig: dihexagonal-dipyramidal


species: Rh W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Zn

species_pp: I Zn

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: F Mn


species: Ta Zn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Nb Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F Li


species: Ca V

crystal_class_orig: ditrigonal-dipyramidal


species: Fe I


species: F Sb

species_pp: F Sb

Wyckoff_letters_orig: a i i i i i i

Wyckoff_letters: a i i i i i i


species: Pt Rh

Wyckoff_letters_orig: c d


species: Li Mn


species: Pb Te

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Nb O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd La

species_pp: Cd La

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca Ni


species: Cu Li


species: I V

Wyckoff_letters_orig: a h j j k k n

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a h j j k k n


species: P Th


Wyckoff_letters_orig: a d

crystal_class: hexoctahedral


species: Cu O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Mg O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Ti

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

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: c e

aflow_prototype_params_list_orig: a b/a c/a


species: Cr F


species: C Nb


species: O V

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Cr Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cl Sn

species_pp: Cl Sn

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Li Tc


species: Pd Se


species: Ho Sb

crystal_class_orig: orthorhombic-sphenoidal

aflow_prototype_params_list_orig: a b/a c/a z2

aflow_prototype_params_list_relax: a b/a c/a z2


species: S Zn

species_pp: S Zn


species: Cd Cs

Wyckoff_letters: a d


species: Fe O


species: I Ta

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Cu Ni


species: Mo Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: V W


species: Co Mo


species: Co Ni

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cr Mn


species: Cr V


species: Cu Fe


species: Cu Ti

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Mo

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Fe Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe W

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ni Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Fe

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Co Ti


species: Co V


species: Cr W

crystal_class: tetrahedral


species: Cu Mo


species: Mn Mo


species: Mo V


species: Mo Zn


species: Ni W


species: Ti Zn


species: W Zn


species: Cl Mg

Wyckoff_letters_orig: i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: F Nb

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: O Pb

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Hg In

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg S

species_pp: Hg S


species: Hg Ho


species: Hg Li


species: Hg Mg

Wyckoff_letters: b c


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


Wyckoff_letters_orig: e e e

Wyckoff_letters: f e


species: Ca Ta


species: Li Nb


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Rb Ta


Wyckoff_letters_orig: b c


species: Cl Nb


species: Gd O

species_pp: Gd O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: d e


species: O Pm

species_pp: O Pm


species: Co Dy


species: Dy Gd


species: Ce Er


species: Cu Tb


species: F Pb

sg:
Pbcn #60
Cmce #64
Cmce #64

sg2:
Pbcn #60
Pbcn #60
Cmce #64

Wyckoff_letters_orig: d d


species: Fe Tb


species: Ce V

Egap_DOS_type: metal


species: Cr Pr

Wyckoff_letters_orig: a c


species: Dy Ti


species: Fe Gd


species: Ni Pr

Wyckoff_letters: a d


species: Ag I

species_pp: Ag I


species: Cr I

Egap_DOS_type: half-metal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Cs I


species: I In

Wyckoff_letters: e e e


species: Cu La

Wyckoff_letters: a c


species: Er Ho


species: Hf Rh


species: Mo Zr


species: Dy Ni


species: Hf Re


species: Nb Ni


species: Tc Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters: d e


species: Ge Hf


species: Au Re

crystal_class_orig: tetragonal-dipyramidal


species: Ce Sm


species: La Ti


species: Mo Ta


species: Pt Ta


species: Au Ni


species: Fe Hf

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ir La

species_pp: Ir La

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: W Zr

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ag Mn


species: Au Ti

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ca I

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Co I

species_pp: Co I


species: Cr I

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i

Wyckoff_site_symmetries: 2/m m m m m


species: Fe I

crystal_class_orig: dihexagonal-pyramidal


species: I Li

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i

Wyckoff_letters: d i i i

Wyckoff_site_symmetries: 2/m m m m


Egap_DOS_type: insulator


species: I Mg


Wyckoff_letters: a b b


species: I Ni

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Be I

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: Ag I


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters: a a


species: I Sn

species_pp: I Sn

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

Wyckoff_letters_orig: b b c c c c

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

Wyckoff_letters: b b c c c c


Wyckoff_letters_orig: a a


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: I Pb

crystal_class: tetragonal-scalenoidal


species: Cd Cr

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni Rh

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu I

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m m m


species: I Zn


species: Ga I

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd Hg

species_pp: Cd Hg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Rh

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ni Zr


species: Sc W


species: Au Ru

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Fe Sc


species: Ir Pd


species: Nb Re


species: Au Hg

species_pp: Au Hg


species: Hf W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd Nb


species: Fe Se

sg:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca In


species: Hg V

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mn Rh

point_group_Schoenflies: T

point_group_structure: alternating


species: Re Sc


species: Cd Re

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ir Zr


species: Mo Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ta V


species: Pt Zn

species_pp: Pt Zn


species: Cd Zr


species: Pt Re


species: Pt Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ag Nb


species: Au Cu


species: Bi Cs


species: Hf Sc


species: Ce Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Ta

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cu F

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Nb Si

Wyckoff_letters_orig: a c c h

Wyckoff_letters: a c c h


species: Fe Hg


species: Ni W


species: Mn O

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a


species: Ca F

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


species: O Os


species: Ca K


species: La O

species_pp: La O


species: Cu Pd


species: Mo O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c b d d

Wyckoff_letters: a d

Wyckoff_letters: c b d d


species: Ge Ni

crystal_class_orig: hexoctahedral


species: Co Fe


species: Co K


species: K Mg


species: W Zr


crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: f g j i

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: f g j i


species: O Sc

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a


species: Li Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mg Te


species: Se Sn

species_pp: Se Sn


species: I Mn

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b


species: Ge Te

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: O Ta


species: Cr Li

crystal_class_orig: dihexagonal-dipyramidal


species: O Zr

crystal_class_orig: orthorhombic-bipyramidal

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 e m

aflow_prototype_params_list_orig: a b/a c/a x6

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


species: F Ti


species: Ta Ti


species: F Mn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: Ni O

crystal_class: trigonal-pyramidal


species: O Tc

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a


species: Ca Tc

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O V

crystal_class: ditetragonal-dipyramidal

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Li Mg

crystal_class: ditrigonal-scalahedral


species: Hf Tc

crystal_class: hexoctahedral


species: Sc W


species: C Si

species_pp: C Si

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Ho O


species: B Tc


species: Cd F

species_pp: Cd F

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Bi Lu


species: O Pt

species_pp: O Pt


species: Ru V

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr Tc


species: Au Ru

Wyckoff_letters_orig: a d


species: Li Ni

crystal_class: dihexagonal-dipyramidal


species: B Zr


species: Cu O

Wyckoff_letters_orig: f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: f f


species: Ca Tc


species: Li V


species: O Tc


species: Ir Tc

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Ca K


species: S Zn

species_pp: S Zn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

aflow_prototype_params_list_relax: a b/a c/a


species: Ni Y

Wyckoff_letters: a d


species: Nb Os

crystal_class: tetrahedral


species: Ca Co

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Ti

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Cr Li

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: I Tc


species: Tc Zr

crystal_class_orig: ditrigonal-scalahedral


species: O Pt

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: Ag Zr


species: K Mg


species: Ca Ni

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


species: O Si

species_pp: O Si

Wyckoff_letters_orig: g h i i j j j j

Wyckoff_letters_orig: j j j

Wyckoff_letters: g h i i j j j j

Wyckoff_letters: j j j


species: O Os

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: Ge S

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: Cu F

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O W

Wyckoff_letters_orig: f h i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: f h i


species: Nb Ti


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Nb Zr


species: Ca Cr


species: O Sn

species_pp: O Sn


species: Cr O


species: F Ni


species: I Ti


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Pb Se

crystal_class_orig: orthorhombic-sphenoidal


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Tb

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Al La

species_pp: Al La


species: Ir O

species_pp: Ir O

crystal_class: hexagonal-trapezoidal


crystal_class_orig: monoclinic-prismatic


species: Pd Pt


species: Ca Li

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: F Ti

Wyckoff_letters_orig: a a a


species: Au Co

species_pp: Au Co


species: Cr K


species: Br Ca


sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Cr F

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O W

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a


species: Hf N


species: Cd O

species_pp: Cd O


species: O V

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Rh


species: As Zr


crystal_class_orig: trigonal-trapezoidal

aflow_prototype_params_list_orig: a c/a y2


species: O Si


species: Bi Ti

crystal_class_orig: dihexagonal-pyramidal


species: Co Mg


species: Cu K

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d


species: Nb O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: a e

Wyckoff_letters: f f


species: O Sc


species: F Ta

Wyckoff_letters_orig: d e


species: F Ti

Wyckoff_letters: i i i


species: Ca O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: W Y

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Mn Rh

crystal_class_orig: diploidal


species: Co Mn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mg Xe

Wyckoff_letters_orig: a d h

Wyckoff_letters: a d h


Wyckoff_letters_orig: a e f f f

Wyckoff_letters: c e f f f


species: Se Sn

crystal_class_orig: hexoctahedral


species: O Tl


species: I V


species: O W

Wyckoff_letters_orig: e e

Wyckoff_letters: c c c


Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Li Mg

crystal_class_orig: orthorhombic-bipyramidal


species: Cr Nb


species: F V


species: Fe Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Mg


species: As Cr


species: Al Sm

Wyckoff_letters_orig: c c


species: Cd O

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: a c f l

Wyckoff_letters: b e

Wyckoff_letters: a c f l


species: Tc Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mn O

crystal_class_orig: dihexagonal-dipyramidal


species: F Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


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 Sc

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

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


species: Ti Zn


species: Li Ti


species: Pb Se

crystal_class_orig: ditetragonal-dipyramidal


species: Mn Ta

Wyckoff_letters: b c


species: Ta V

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b


species: O Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr O


species: Co O

species_pp: Co O


species: Cl Pd

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f


species: Cd Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Tl

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd Co

species_pp: Cd Co

Wyckoff_letters: c c


species: Ag Mo


species: Li O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pb S


species: O Si

Wyckoff_letters_orig: a e g g g g g g g g

Wyckoff_letters_orig: f g g g g

Wyckoff_letters: a e g g g g g g g g

Wyckoff_letters: f g g g g


species: I Ti

crystal_class_orig: ditrigonal-scalahedral


species: O Zr


species: Mg Nb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h


species: Nb Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Mn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Co Fe


species: Co V

Wyckoff_letters_orig: c d


species: Cr Mo


species: Fe Mn


species: Fe Mo


species: Mo Ti


species: Mo Zn

Wyckoff_letters_orig: c c


species: Ni W


species: Ti Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Cr Cu


species: Cr Mn


species: Cr W


species: Fe Ti


species: Fe W

crystal_class: ditrigonal-dipyramidal


species: Mn Ni

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mo V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Pb

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


sg2:
Pnma #62
Pnma #62
Immm #71


species: Cl Nb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Hg Li

crystal_class: diploidal


species: Hg In


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Hg K

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

Wyckoff_letters_orig: b l


species: Hg O

species_pp: Hg O


species: Hg Se

species_pp: Hg Se


species: Cl Mg


species: F Nb

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ca Rb

Wyckoff_letters: c c c


species: K Rb

Wyckoff_letters: c c


species: K Ta


species: Li Rb


species: Mg Rb


species: Pb Ta


Wyckoff_letters_orig: a b


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Gd Nd

species_pp: Gd Nd


species: Sm Ti


species: Mn Nd


species: Cr Tb


species: O Pb

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e

Wyckoff_letters: a c f

Wyckoff_letters: b d e


species: Ni V


species: Co Eu

species_pp: Co Eu


species: Ce Ti


species: Dy Fe

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Dy Ho


species: Mn Tb


species: Nd V


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd I

species_pp: Cd I


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ba I


species: I Sb

species_pp: I Sb


species: Ag Rh

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Er Yb


species: Ni Ta

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Pd Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Co


species: Re Ta


species: Ag Re


species: Au Cd

species_pp: Au Cd


species: Mo Ta


species: Cd Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ho Tb


species: Fe Hf

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


species: Fe Hg


species: Fe 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: e g


species: Ir O


species: Pd V


species: Pt Y

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: La Ni


species: Os Sc


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Re Y

Wyckoff_letters_orig: c i

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a b/a c/a x3


species: Ca I

sg2:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c


sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: h g

Wyckoff_letters: a h

Wyckoff_letters: h g


species: Fe I


sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57


species: I K

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m m m


species: I Li


Wyckoff_letters: c c


species: I Mg

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f

Wyckoff_letters: a c


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


Wyckoff_letters_orig: a a


species: I Ni


species: Ge I

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: i j j j k k

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: i j j j k k


species: Cd I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a a b

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a a b

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


Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: a a a a b b b b

Wyckoff_letters: b b b b

Wyckoff_letters: a a a a b b b b


species: I Sn

species_pp: I Sn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ba I

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c d d d d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a c d

Wyckoff_letters: c d d d d


species: I Pb

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Sr


species: Cr Zr

Wyckoff_letters_orig: h i

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h i


species: Hg Os

Wyckoff_letters_orig: a d

crystal_class: hexoctahedral

Wyckoff_letters: a d


species: Ru Ti


species: La Mn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O W

Wyckoff_letters_orig: c c c d

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c d

Wyckoff_letters: c c


species: Pd Y


species: Mo Sc


species: Os Tc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Pd Si


species: Cd Y


species: Sc V

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: Y Zr


species: Hg W


species: Co Pd

Wyckoff_letters_orig: c d


species: Cr Pd


species: Rh Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Zr


species: Mo Ta


species: Nb Ta

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Ta V


species: Ir Zr


species: Nb Ti


species: W Zr


species: Hg Ni

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Pd


species: Nd Sm


species: Cu Y


species: Hg Sr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Pd Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Au Nb

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: C Ca


species: Tc Zr


species: Ir Zn

species_pp: Ir Zn


species: Lu O

species_pp: Lu O


species: Cu Li


species: Ir O

species_pp: Ir O

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: I Ti

Wyckoff_letters_orig: a b b


species: Cr F


species: Er O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cr Re

Wyckoff_letters_orig: a d


species: Mg Si

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: c e f

Wyckoff_letters: h i

Wyckoff_letters: c e f


species: O Rh


species: F Ga

crystal_class_orig: hexagonal-trapezoidal


species: Cl Ta

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Ni O


species: Ba Cd


species: Ag Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Tc

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: Hg Mn


species: Er S

Wyckoff_letters_orig: a c


species: Nb O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a b c

Wyckoff_site_symmetries_orig: m m 1

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a c f

Wyckoff_letters: a d f


species: Au Fe


species: C O

species_pp: C O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Fe Hg


species: Ho S

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ga N

crystal_class_orig: dihexagonal-pyramidal


species: I V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Pd

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: O V

Wyckoff_letters: a d


species: La Zr

crystal_class_orig: orthorhombic-bipyramidal


species: Ca Zn

crystal_class_orig: diploidal


species: Ni O

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e

Wyckoff_letters: b d e


species: Nb Ru

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


crystal_class_orig: ditrigonal-dipyramidal


species: Cd Ta

Wyckoff_letters: a c


species: O Zr

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m

Wyckoff_site_symmetries: m m 1


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d


species: Cd F

species_pp: Cd F

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: I Li

crystal_class_orig: hexoctahedral


species: O Ru

crystal_class_orig: ditetragonal-dipyramidal


species: Ca O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b


species: Tc Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Co Mo

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: F Ni

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

Wyckoff_letters_orig: c c c b b

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

Wyckoff_letters: c c c b b


species: B N

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a k j

Wyckoff_letters: j k

Wyckoff_letters: a d j k


species: Fe O

crystal_class_orig: orthorhombic-sphenoidal


species: Li Mg


species: Si W

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b k

Wyckoff_letters: a h

Wyckoff_letters: b k


species: Ir O


species: Fe I


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ag Au

species_pp: Ag Au

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Cu Li


species: Hf Re

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


crystal_class_orig: trigonal-pyramidal


species: Mn Re

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Mg

sg:
Pbcn #60
Pbcm #57
Pbcm #57

sg2:
Pbcn #60
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: c c d

Wyckoff_letters: c d


species: Li O

crystal_class_orig: monoclinic-prismatic


species: Cr O


species: S Ti

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: In Sc


species: Fe Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b e

crystal_class: tetrahedral

Wyckoff_letters: a b e

Wyckoff_letters: e e


species: Hg Re


species: Au Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cd Zn

species_pp: Cd Zn


species: Bi O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: h k

Wyckoff_letters: d e


species: Cu O


species: Si Ta

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b b

Wyckoff_letters: b b

Wyckoff_letters: a b b


species: I Tc

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: a f


species: Cu K


species: Ni Y

Wyckoff_letters_orig: e e h h

Wyckoff_letters_orig: a b e e g


species: Au Pt

species_pp: Au Pt


species: O Re

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Li Zn


species: H S

species_pp: H S

crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal


species: Cd Cs


Wyckoff_letters_orig: e e


species: In Pr


species: Au Pd


species: Cr Mg


species: Ca Cr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ca K


species: Mo Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: O Sr

sg:
Pnma #62
Pnma #62
Pbcm #57

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: a b c c c c

Wyckoff_letters: c c


species: S Zn

species_pp: S Zn


species: Ca F


species: Nb Ni

Wyckoff_letters_orig: a d


species: Au Cl

species_pp: Au Cl

crystal_class_orig: triclinic-pinacoidal

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


species: O V


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: N Si

species_pp: N Si

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: a c c

Wyckoff_letters: c c d

Wyckoff_letters: a c c


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a b b b b

Wyckoff_letters_orig: a a a a b b

Wyckoff_site_symmetries_orig: m m m m m m m m m

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: c m m n b e

Wyckoff_letters: m m n


species: Al Mo

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: I Ti


species: F V

Wyckoff_letters_orig: a a


species: K Li


species: Al Mg

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a g

Wyckoff_letters: c g

Wyckoff_letters: a g


species: Co Hf

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

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


species: Cd W


species: Ca I


species: C Li

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Co S

species_pp: Co S


species: Ag Mn


species: O Ti

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

Wyckoff_letters: b b b

Wyckoff_letters: a b


sg:
Imma #74
Imma #74
Cmmm #65

sg2:
Imma #74
Imma #74
Imma #74


species: Cu W


species: I O

species_pp: I O


species: Ir Mn


species: I V

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

Wyckoff_letters: a b g g


species: Ni O

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Hf Sb


species: Cd Pd

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Co Nb

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

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: K O


species: I Ti


species: Co Mn


species: Co F

species_pp: Co F

Wyckoff_letters_orig: d i

Wyckoff_letters_orig: c g i i j

Wyckoff_letters: d i

Wyckoff_letters: c g i i j


species: Ca Li


species: Cd O


species: Co Mg


species: Ca Mg


species: Ca O

crystal_class_orig: tetragonal-trapezoidal


species: Se Sn

species_pp: Se Sn


species: F Ge


species: Bi O


species: I V


crystal_class_orig: ditrigonal-pyramidal


species: N Zr

crystal_class_orig: dihexagonal-pyramidal


species: Cu Ta

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


Wyckoff_letters_orig: h g

Wyckoff_letters_orig: a h

Wyckoff_letters: h g

Wyckoff_letters: a h


Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a a b c e


species: Pd Tc

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li Pb


species: Co Mo

crystal_class_orig: ditrigonal-scalahedral


species: Co Ni


species: Cr Cu

crystal_class_orig: ditetragonal-dipyramidal


species: Cr Mn


species: Cu Fe

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cu Mn


species: Cu Ti


species: Cu W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Ti

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Mn V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mn Zn


species: Mo V


species: V W


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cr Fe


species: Cr Ti


species: Cr W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mo Ti

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Mo Zn


species: W Zn


species: Cl Cs


species: Cl Nb


species: F Pb


species: Cs Hg

Wyckoff_letters_orig: a d e k

Wyckoff_letters: a d e k


species: Hg In

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg Ho


species: Hg Mg


crystal_class_orig: ditrigonal-dipyramidal


species: Hg Rb


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


species: Ca Ta


species: Nb Rb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca Cl

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: Cr Tb


species: Cl Mg

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: I Ta

Wyckoff_letters_orig: c f g h

Wyckoff_letters: c f g h


species: Mo Ti


species: Ce Pr

species_pp: Ce Pr


species: Cu Ho


species: Cu Tb


species: Er V


species: Er Zn


species: Fe Gd

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ho Nd


species: Ho Ni


species: I Rb


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cr I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ce Gd

species_pp: Ce Gd


species: Hg Zn

species_pp: Hg Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: La Pt

species_pp: La Pt

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Au V


species: Ru Ta


species: Cd Cu


species: Rh Sc

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ag Hf

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pd V


species: Au Cu


species: Pt Tc


species: La Sc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Os

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Rh V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ir Ti

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Ag Tc


species: Cd Hf


species: Mn O


species: Cr I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: a d

Wyckoff_letters: c b e m


species: Fe I


aflow_prototype_params_list_relax: a b/a c/a beta


species: I K


species: I Mg

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: c f


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: I Ni

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a


sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ge I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ag I

species_pp: Ag I

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Hg I

species_pp: Hg I


species: Co Tc


species: Cu I

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Al I

species_pp: Al I

Wyckoff_letters: a a a


species: Cs I

Wyckoff_letters_orig: b b c a a a

Wyckoff_letters: b b c a a a


species: La Ta


species: Pt V

Wyckoff_letters_orig: a d


species: Tc W

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd Rh


species: Fe Ho


species: Hf Mn


species: La Sc


species: Sc Ta


species: Pd Ti


species: Cd Ti


species: Hf Ta


species: Hg Mo


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Zn


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters_orig: c f


species: Co Tc


species: Ag Os


species: Mg Sb


species: Mn Sc

Wyckoff_letters_orig: a c


species: Os Pt


species: Re Sc

Wyckoff_letters_orig: a b


species: Co Pd


species: Ir Zr


species: Mn Rh


species: Hf W


species: Ta Zr


species: Ta W


species: Ba Te

Wyckoff_letters_orig: a c j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a c j


species: Al Ti


species: Au Zr


species: Os Rh

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Cu


species: Ni Ru


species: O Zr


species: Ce Te

species_pp: Ce Te


species: K O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: a h

Wyckoff_letters: h g


species: Ca Ti


species: Co F

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: F V


species: Pd Re

Wyckoff_letters: a d


species: Cu I

crystal_class_orig: tetrahedral


species: V W


species: Mo O

Wyckoff_letters_orig: e e e

Wyckoff_letters: d c d


species: Au Mo


species: Ar Mg

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ru Zr


species: Pb S

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ag Co

species_pp: Ag Co


species: Nb W


species: Mn O


species: Mn Pr

Wyckoff_letters_orig: f i j

Wyckoff_letters: f i j


species: Hg V


species: Fe K


species: O W

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: K Mg


species: V Zr


species: I Zn

species_pp: I Zn


species: O Sn

species_pp: O Sn


species: Ba F

Wyckoff_letters: b b a


species: Lu O

species_pp: Lu O

Wyckoff_letters: a b


species: Bi O


crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Mg Te

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: C Ru

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F V


species: Mg S

Wyckoff_letters_orig: a b c c c

Wyckoff_letters_orig: c c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a b c c c

Wyckoff_letters: c c c c


species: Cr F

crystal_class: ditetragonal-dipyramidal


species: Ni Sc

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ti Zr

Wyckoff_letters_orig: a d


species: O Si

species_pp: O Si

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

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

Wyckoff_letters_orig: f f h h

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

Wyckoff_letters: f f h h


species: I Ti


species: Hf Os

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Hf Mo

crystal_class_orig: tetragonal-dipyramidal


species: Al Sb

species_pp: Al Sb

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: F Fe

Wyckoff_letters: a d


species: O Ru

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: O W

crystal_class_orig: orthorhombic-bipyramidal


species: Fe W


species: La O

species_pp: La O


species: Cr Li

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Mn Pt

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

Wyckoff_letters: d b i


species: Er O

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: Ni Tb

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e

Wyckoff_site_symmetries: m m m m m m


species: O Tc

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a g

Wyckoff_letters: a h


species: La Se

species_pp: La Se

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Li Ni

Wyckoff_letters: a i


species: O Tb

Wyckoff_letters_orig: h h h

Wyckoff_letters_orig: c e h

Wyckoff_letters: h h h

Wyckoff_letters: c e h


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Os Zr


species: Nb O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: K Te

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

Wyckoff_letters: f g

Wyckoff_letters: e h


species: Li Tc

crystal_class: dihexagonal-dipyramidal


Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f f

Wyckoff_letters: a f


species: Cr K

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: O W

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cr Sc


species: Au Mn

crystal_class: hexoctahedral


species: Fe O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ti Zn


species: Cd Zr


species: Cu O


species: Bi Ti


species: O V

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: V W

crystal_class_orig: dihexagonal-pyramidal


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: C N

species_pp: C N

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: b b c

crystal_class: hexagonal-pyramidal

Wyckoff_letters: b c

Wyckoff_letters: b b c


species: Al B

crystal_class_orig: dihexagonal-dipyramidal


species: Ag Ta

crystal_class_orig: hexoctahedral


species: Ir Zn

species_pp: Ir Zn


species: Au Nb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co O

species_pp: Co O


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Pt Rh


species: Ir V


species: O Sn


species: Ca Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: In O

Wyckoff_letters_orig: a a


species: Mo O


Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Sr

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


sg:
Pmm2 #25
Pmmm #47
Pmmm #47

sg2:
Pmm2 #25
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a f

Wyckoff_letters: a l

Wyckoff_letters: d k


species: Ag Bi

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Pd

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca F

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Nb

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: Cu Li


species: Fe O


species: Co Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sc

crystal_class_orig: orthorhombic-pyramidal


species: Au Ti


species: Co Ru


species: Co F

species_pp: Co F

crystal_class_orig: trigonal-trapezoidal


species: Bi O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


species: O V

Wyckoff_letters_orig: a b c e

Wyckoff_letters: a b c e


species: Hf O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cd O


species: Ba Sb

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Mn O

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Au Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: K Li

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr F

sg:
Ama2 #40
Cmcm #63
Cmcm #63


species: Cl Sr


species: O Ti

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


species: Ce O

species_pp: Ce O

crystal_class_orig: diploidal

crystal_class: diploidal


species: F Tc

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i i i i


species: Sn Te

species_pp: Sn Te

crystal_class_orig: trigonal-pyramidal

crystal_class: monoclinic-domatic


species: Co Os


species: I Zn


species: Ca V


species: O Os

crystal_class: dihexagonal-pyramidal


species: F V

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c c g g

Wyckoff_letters: c c g g


species: Fe O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a c d d d d

Wyckoff_letters_orig: d d d d e e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a c d d d d

Wyckoff_letters: d d d d e e


species: Mn Ti


species: Ti Zn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Co W


species: Fe Ti

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Fe Zn


species: Mn V


species: Mo Ni


species: Mo Ti

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Co Mn


species: Co Ni


species: Cr Cu


species: Cu Ni

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Mn W

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: V W


species: V Zn


species: Hg Mg


species: Hg O

species_pp: Hg O


species: Ca Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: K Rb


species: Li Nb


species: Mg Rb


species: Nb Rb


species: F K


species: Eu Mn


species: Eu Fe


species: F Nb

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Pb

sg:
Pban #50
Pban #50
Pban #50

sg2:
Pban #50
Pban #50
Pban #50

Wyckoff_letters_orig: e g h i

Wyckoff_letters: e g h i


species: Ho Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ce Fe


species: Ce Gd

species_pp: Ce Gd


species: Ce Mn

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Eu Zn

species_pp: Eu Zn


species: Ho Ni


species: Mn Pr


species: Be I

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cr I

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a


species: Hg I

species_pp: Hg I


species: I In

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i


species: I Pb

crystal_class: ditrigonal-scalahedral


species: I Rb


species: I Sr


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e g


species: Ag Re


species: Cd Sc


species: Pd Rh


species: Ir Ni

Wyckoff_letters_orig: a c


species: Mo Re


species: Hf Mo

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: K Sb


species: Nb Sc


species: Re W

crystal_class_orig: dihexagonal-pyramidal


species: Co Y


species: Hg Pd


species: Pd Zr


species: Hg Re


species: Fe Ta


species: Sc Tc


species: Ag Ti


species: Au Ti


species: Hg Tc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mo Ru

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters_orig: a h


species: Au Cd

species_pp: Au Cd


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f


species: Ir Ni

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Tc


species: Ag Rh

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr Ru


species: Ir Os


species: Co I

species_pp: Co I

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


Wyckoff_letters_orig: c c


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cr I

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe I


species: I K

Wyckoff_letters_orig: a d


species: I Li


species: I Ni

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


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

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


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: c c c

Wyckoff_letters: a c

Wyckoff_letters: c c c


species: I In

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: I Sn

species_pp: I Sn

Wyckoff_letters: c c


species: Ir Sc


species: Ir Ta

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e

Wyckoff_letters: e e e e e


species: I Zn


species: I Sr

Wyckoff_letters_orig: c d d d

Wyckoff_letters_orig: a b d

Wyckoff_letters: c d d d

Wyckoff_letters: a b d


species: Au Os

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h


species: Au Y


species: Co Hf

crystal_class_orig: ditrigonal-scalahedral


species: Hg Ta


species: Ni Ta

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pd W


species: Ti Zr

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Au Ir

species_pp: Au Ir


species: Co Pd

Wyckoff_letters: a d


species: Co Ru

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Os Ta


species: Ag Zr


species: Ag Nb

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Au W


species: Ir Zn

species_pp: Ir Zn


species: Ru W

crystal_class: hexoctahedral


species: Tc Ti


species: F Fe


species: Pt Tc


species: Rh W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Ti

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Hf W

Wyckoff_letters: c c c


species: Ta Zr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Hf Zr


species: V Zr

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Hf Pd


species: Hg Ti


species: Ir Mo


Wyckoff_letters_orig: a d


species: Ag Pt

species_pp: Ag Pt


species: Ag Mo


species: Cd Ru


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Zn Zr

Wyckoff_letters: a c


species: Ir Ru


species: Au Hf

Wyckoff_letters_orig: a i


species: Hg Zr


species: Nb O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F Sc

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


species: Ni Y


species: O Ti

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: a g


species: Cd O

species_pp: Cd O

Wyckoff_letters: c c


species: Eu O

species_pp: Eu O


species: Ga Yb

Wyckoff_letters_orig: g m

Wyckoff_letters: g m


species: B Ta

Wyckoff_letters_orig: e f

Wyckoff_letters: e f

Wyckoff_letters: a f


species: H Mn

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Nb Zn


species: O Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: c b


species: C Nb

Wyckoff_letters: a d


species: Cr Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca O

crystal_class_orig: monoclinic-prismatic


species: Mo O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Rh


species: Co Hf


species: Pd Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca K


species: I Mn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Tb Te


species: Rh Zn


species: Au Nb


species: O Zr

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Li Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O V

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: O Ti

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: Os Pt

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cs O


species: I Nb

Wyckoff_letters_orig: a a

Wyckoff_letters: c c


species: Hg Pt

species_pp: Hg Pt

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d


species: Cu Li


species: Se Sn

species_pp: Se Sn


species: Cl Ga

Wyckoff_letters_orig: g i i

Wyckoff_site_symmetries_orig: 2 m m

Wyckoff_letters: g i i

Wyckoff_site_symmetries: 2 m m


species: Co Os


species: Al F

species_pp: Al F

Wyckoff_letters_orig: e f


species: I Mn


species: Li Tc


species: O Re

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c


species: Ce Zn

species_pp: Ce Zn

Wyckoff_letters_orig: c h h h i

Wyckoff_letters: c h h h i


species: Ge Sc

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: F V

sg:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters: e f


species: O V

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b e

crystal_class: tetrahedral

Wyckoff_letters: e e

Wyckoff_letters: a b e


species: K O


species: La Re

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Ru Y


species: Ca V


species: Cl Tl

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: K Li


species: Fe O


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr O


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: F Mn


species: Fe Li


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: S Zn

species_pp: S Zn

crystal_class_orig: ditrigonal-pyramidal

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

crystal_class: ditrigonal-pyramidal

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


species: Ca Cr


species: Mg O


species: Nb S

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Fe Si

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters_orig: e f g g g

Wyckoff_letters: e f g g g


species: Cu K

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: As Br

species_pp: As Br

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Fe I


species: F V


species: Au Zn

species_pp: Au Zn


species: Mn O


species: Nb O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Sc V

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cr Zr


species: Sc Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Fe

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: O W


species: O V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Mg

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Er O


species: Ti Zn


species: Be Bi


species: O Tc


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e g i


species: Cd Nb


species: Gd Ni

crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


crystal_class_orig: dihexagonal-pyramidal


species: Ir Sc


species: Li Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: K Li


species: La Ti

Wyckoff_letters_orig: a f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a f


species: Sn Te

species_pp: Sn Te


species: Re Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Ti

crystal_class_orig: hexagonal-trapezoidal


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: Mg O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: f f f f f f f f

Wyckoff_letters: f f f f f f f f


species: P S

species_pp: P S

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Hf Pd

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Pd Th

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: O Ti

crystal_class_orig: triclinic-pinacoidal

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

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

crystal_class: triclinic-pinacoidal

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

Wyckoff_letters: a c i i i i i i i i


species: Tc Zn

crystal_class_orig: diploidal


species: Co Hf

sg:
Pmmm #47
Cmmm #65
P4/mmm #123

sg2:
Pmmm #47
Cmmm #65
P4/mmm #123

Wyckoff_letters_orig: a f j l n p y

Wyckoff_letters_orig: b e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a k f


species: Ag Sn

species_pp: Ag Sn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: F Mn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Fe Tc

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cu F

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Te Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Bi O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Se Sn

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: O Zn

species_pp: O Zn

sg2:
Pnma #62
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a b


species: V W

crystal_class_orig: hexoctahedral


species: O Sc

crystal_class_orig: ditetragonal-dipyramidal


species: I Mn


species: Pt Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Pb S

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g


species: Cr Li

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Li Si

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Co F

species_pp: Co F


species: Os Rh


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: e a

Wyckoff_letters: g l


species: Ca Cl

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Li Mo


species: I Zn

species_pp: I Zn


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: b b b

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Mg O


species: S Zn

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

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


species: Hg O

species_pp: Hg O


species: Nb O

Wyckoff_letters_orig: c c c

Wyckoff_letters: f f f


species: O W

Wyckoff_letters_orig: i i i i


species: Nb W

crystal_class_orig: tetrahedral

Wyckoff_letters: c e d


species: Cu F


species: Fe Mo


species: Nb Re

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


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: a b g g

Wyckoff_letters: c g

Wyckoff_letters: a b g g


species: I Nb

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d d

Wyckoff_letters_orig: a b d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c d d d

Wyckoff_letters: a b d


species: I O

species_pp: I O


species: Co O

Wyckoff_letters_orig: a b c

Wyckoff_letters: c a


species: Mo N

Wyckoff_letters_orig: b h

Wyckoff_letters_orig: a g

Wyckoff_letters: b h

Wyckoff_letters: a g


species: Mg Xe

Wyckoff_letters: a e


species: Ca O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: c f

Wyckoff_letters: e f f


species: O Ta

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb Ta

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Mo


species: Mn Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Cr


species: Co Cu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Mo


species: Co V

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cu V

Wyckoff_letters: a d


species: Fe W

Wyckoff_letters_orig: a d


species: Mn Mo


species: Mn W


species: Mo Ti

Wyckoff_letters_orig: a b


species: Ni Ti


species: Co Ni


species: Cu Mn


species: Cu Ti


species: Cu W

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: W Zn

Wyckoff_letters_orig: a e


species: F Ta

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Hg Te

species_pp: Hg Te


species: Hg Ho


species: Hg K


species: Hg Rb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cs F


species: Ca Nb


species: Mg Ta


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: K Nb


species: Li Nb


species: Nb Pb


species: Ho O

crystal_class_orig: rhombohedral


species: O Sm

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: hexagonal-trapezoidal


species: Dy Nd


species: Cl Rb


species: Mn Sm


species: Ce Co

species_pp: Ce Co


species: Er Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ho Ti

crystal_class: dihexagonal-dipyramidal


species: Mn Pr


species: Pm Tb


species: Sm Ti


species: Tb Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr I

Wyckoff_letters: a a


species: Hg I

species_pp: Hg I


species: Au Re

crystal_class: hexoctahedral


species: Hf W

Wyckoff_letters: c e d


species: La Mn


species: La Pt

species_pp: La Pt


species: Mn Zr


species: Pd Re


species: Au Hg

species_pp: Au Hg


species: Au Tc


species: Cd Co

species_pp: Cd Co


species: Nb Ta


species: Co Nb


species: Nb Sc


species: Ag Pt

species_pp: Ag Pt

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Dy Tb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: La Mo


species: Pd Zn


species: Ag Ta

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Cd Zn

species_pp: Cd Zn


species: Hg Pd


species: Pd Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Re


species: Cu Pd


species: Cu Ru


species: Hg Mn


species: Mo Pd


species: Nb Ru


species: Hf Sc

crystal_class: diploidal


species: Rh Ru

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co I

species_pp: Co I


species: Cr I


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

crystal_class: tetragonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: b b b b


species: Fe I

Wyckoff_letters: g h


species: I Li

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


sg:
Pmmn #59
Cmmm #65
Pmmn #59


species: I Ni


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ge I

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e


species: Ag I

species_pp: Ag I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: Cd I

species_pp: Cd I

sg:
Cmcm #63
Cmcm #63
Fmmm #69


species: I Sn

species_pp: I Sn


species: Hg I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class_orig: tetragonal-scalenoidal


sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cu I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: a b c

crystal_class: tetrahedral

Wyckoff_letters: a b c


species: Al I

species_pp: Al I

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ga I

Wyckoff_letters: c d


species: I Sr


species: I V

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: La Mo

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Rh Zr

crystal_class_orig: dihexagonal-pyramidal


species: Au V

crystal_class: orthorhombic-bipyramidal


species: Pd Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co Er

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c


species: Nd V


species: Ni Rh


species: Cd Re

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb Zr


species: O Pb

Wyckoff_letters_orig: a a a a


species: Pt Zn

species_pp: Pt Zn


species: Hf Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Ta


species: Ta V


species: Hf Mo


species: Hf Nb


species: Hf Ta


species: Nb Ta


species: W Zr


species: Os Pt


species: Se Sn

species_pp: Se Sn


species: Se Sr


species: Tc Y


species: Cd Sc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Zr


species: Mn Nb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu Sc


species: Au Tc


species: Au Ir

species_pp: Au Ir

Wyckoff_letters_orig: c d


species: Cu La


species: Ho O


species: Ir Re


species: Mn O

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

crystal_class: monoclinic-domatic


species: Pd Se


species: Li O


species: Mo Pd


species: I Nb

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cd Fe

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ta Y

crystal_class_orig: hexoctahedral


species: La Zn

species_pp: La Zn


species: Co Li


species: Nb Zr


species: Ru Sc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O W

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Pb S

Wyckoff_letters_orig: a b d


species: F Ta

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


species: Bi O


species: I Ti


species: Cr Nb


species: Ca Fe

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: C Gd

species_pp: C Gd


species: Ir Tb


species: Cr O


species: Fe I

crystal_class: ditrigonal-scalahedral


species: Cd O

species_pp: Cd O


species: I Ta

Wyckoff_letters_orig: c c d d d d

Wyckoff_letters: c c d d d d


species: F Mg


species: K Li


species: Bi Zn


species: Cu Pt


species: Nb Zr

crystal_class_orig: dihexagonal-dipyramidal


species: F Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f


species: Ag Mo


species: O Yb

species_pp: O Yb


species: Fe O


species: H Sc


species: O Sn

species_pp: O Sn

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a b b

Wyckoff_site_symmetries_orig: m m m m m m 1 1

Wyckoff_letters: a a a a a a b b

Wyckoff_site_symmetries: m m m m m m 1 1


Wyckoff_letters_orig: a c


species: Cu O


species: Au Ce

species_pp: Au Ce


species: Cu Li

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cl N

species_pp: Cl N

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: As Ir

species_pp: As Ir

crystal_class_orig: diploidal


species: Li Zn


species: Au Cu


species: Bi O

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: Hg O

species_pp: Hg O

Wyckoff_letters_orig: a a a a


species: Ni W

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d


species: Li V


species: La Ni


Wyckoff_letters_orig: i i


species: Cr Li


species: Mo N


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Li Tc


species: O Y

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Al O

species_pp: Al O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: F Mn


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: d c


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c

Wyckoff_letters: a b d


species: Li Ti


species: Fe Sc

Wyckoff_letters_orig: d e


species: Cd Cu

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a d


species: Mg O


species: Cr O

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Pd Te

Wyckoff_letters_orig: a d e f

Wyckoff_letters_orig: b c

crystal_class: hexoctahedral

Wyckoff_letters: a d e f

Wyckoff_letters: b c


species: Mo Y

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O V

crystal_class: dihexagonal-pyramidal


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca K

Wyckoff_letters: c d e


species: Ag Bi


species: Fe Ni

Wyckoff_letters_orig: a c


species: Hf V

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: c a

Wyckoff_letters: c a

aflow_prototype_params_list_orig: a b/a c/a z3

aflow_prototype_params_list_relax: a b/a c/a z3


species: O Sr

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: c f


species: Cr K


species: Ca Fe

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a c/a z2


species: Ag Ti


species: La W


species: Ca Se


species: Mn W


species: Co O

species_pp: Co O


species: S Sn

species_pp: S Sn


species: Fe I


species: Ca Mg


species: Hg V

Wyckoff_letters_orig: a d


species: I Ti

Wyckoff_letters: e e


species: As Rb

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d d d d d

Wyckoff_letters_orig: c d

Wyckoff_letters: c d d d d d

Wyckoff_letters: c d


species: Ho O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-trapezoidal


species: Ir Pt

species_pp: Ir Pt


species: I Mg


species: O Zr

aflow_prototype_params_list_relax: a c/a x2


species: Ca Mn


species: O W

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe Ta

Wyckoff_letters_orig: a e


species: Re Ti


species: V Zr


species: Ba Tl


species: Co O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Bi Ti


species: La Tc


species: Ca K


species: O Tb


species: Ru Sc


crystal_class_orig: hexagonal-trapezoidal

aflow_prototype_params_list_orig: a c/a x2


species: N Re


species: F Mn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Ag Pd

Wyckoff_letters: a e


species: Er O


species: Cu Mg


species: Er Sb


species: O W

Wyckoff_letters_orig: a b


species: C Fe

Wyckoff_letters_orig: c c


species: Al F

species_pp: Al F

crystal_class_orig: dihexagonal-pyramidal


species: Ca Zn


species: Co K

Wyckoff_letters: a d


species: Ca O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: g i

Wyckoff_letters: h i


crystal_class: monoclinic-prismatic


species: Sc Zn


species: Cr F

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ir Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd Rh


species: Pb Te

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f h


species: Co Zr


species: K O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: Co Ni


species: I Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Pd


species: Cd Hg

species_pp: Cd Hg

aflow_prototype_params_list_orig: a c/a z2


species: Mg O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters: c c


species: Bi Ti


species: F Mn


species: Ca Pb

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a d


species: Pb Rb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ni W


species: Co Mn

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Co Ti


species: Co V


species: Co Zn

species_pp: Co Zn

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Fe


species: Fe V


species: Mn Ni


species: Mo Zn


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ni Zn


species: Ti Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a z3


species: Cr Mn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cr Ti

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Cu Mn


species: Cu Ti


species: Fe Mo


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ni V


species: Ti V

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ti W

crystal_class_orig: dihexagonal-dipyramidal


species: W Zn


species: Cs K


species: Hg Ho

Wyckoff_letters: a d


species: Hg Li


species: Hg Se

species_pp: Hg Se

sg:
Pmmn #59
Pmmn #59
Cmmm #65

sg2:
Pmmn #59
Pmmn #59
Cmmm #65

Wyckoff_letters_orig: a e


species: Cl Pb

crystal_class_orig: monoclinic-prismatic


species: Cl Ta


species: F Pb


species: Ca Nb

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Ca Rb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca Ta


species: Li Rb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pb Ta


species: Rb Ta


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Dy O

Wyckoff_letters_orig: c c


species: Co Ho

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Dy Ti

Wyckoff_letters_orig: a d


species: Er Fe

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mo Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Nb


Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cr Dy


species: Cr Pm


species: Dy Ni


species: Gd Ho


species: Ho Tb


species: Mo Ta

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Be I

sg2:
Ibam #72
Ibam #72
Ibam #72


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ag Cd

species_pp: Ag Cd

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Au Pd

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg W

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: Rh V


species: Zn Zr


species: Os Pd

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ag La

species_pp: Ag La


species: Ag Mn


species: Hf Sc


species: Ag Sc


species: Y Zr

Wyckoff_letters: a d


species: Cr Pd


species: Cu Re


species: La Pd

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ta Zr


species: Mo Y


species: Ca I


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Co I

species_pp: Co I


species: Cr I

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f


species: Fe I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Li

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Mg


species: I Ni


species: I Zr


species: La Os

Wyckoff_letters_orig: a d


species: Cu I

Wyckoff_letters_orig: e e


species: I Zn

species_pp: I Zn


species: Cl Nb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Ta

Wyckoff_letters_orig: a c


species: V Y


species: Cd Mo

Wyckoff_letters: e e


species: Ta Zn

crystal_class_orig: diploidal

crystal_class: diploidal


species: Au Hg

species_pp: Au Hg


species: Dy Pm


species: Fe Ho


species: La Tc

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ag Mo


species: Mn Os

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Au Zn

species_pp: Au Zn


species: Co Zr


species: Ir Mn


species: Ta Zr


species: V Zr


species: Hf Nb

Wyckoff_letters: a c


species: Hf V


species: Hf Zr


species: Nb Ta


species: W Zr


species: Au Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ni Pd


species: O Xe

species_pp: O Xe

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b b b


species: Ag Zn

species_pp: Ag Zn

crystal_class_orig: orthorhombic-bipyramidal

aflow_prototype_params_list_relax: a b/a c/a x2


species: Ag W


species: Ir V


species: Ta Tc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Sc

crystal_class: ditetragonal-dipyramidal


species: Be Cl


species: Ge Se


species: Li Tc

Wyckoff_letters: c d e


species: Ba Pb


species: Fe K

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mg O

crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal


crystal_class_orig: ditetragonal-pyramidal


species: Li Mg


species: Cr O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: a c f l

Wyckoff_letters: b g

Wyckoff_letters: a c h p


species: O Ti


species: Pt W


species: Hg V

Wyckoff_letters: a d


species: I Tc


species: Cu Li


species: I Mn


species: Sb Zr


species: Mn Y


species: Fe O


species: Nb Se

crystal_class: ditrigonal-scalahedral


species: C Pt

species_pp: C Pt

crystal_class_orig: dihexagonal-pyramidal


species: N S

species_pp: N S

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: d d

Wyckoff_letters: c c d

Wyckoff_letters: d d


species: Li O

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

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_relax: a b/a c/a x6


species: Mn O

crystal_class_orig: tetrahedral


species: O W


species: Hg Mo


species: Co O

species_pp: Co O

aflow_prototype_params_list_relax: a c/a


species: Hf Ni


species: Se Sn

species_pp: Se Sn


species: Os Ru


species: Sc Tc


sg:
Pmmn #59
Immm #71
I4/mmm #139

sg2:
Pmmn #59
Immm #71
I4/mmm #139


species: Hf Zn

Wyckoff_letters_orig: a d


species: Li Zn

Wyckoff_letters_orig: e e


species: Li Tc

sg:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mo O


species: Ru Si

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Cd Ru

Wyckoff_letters_orig: b c

Wyckoff_letters: b c