crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ir Mn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: b l

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: b l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: O Sn

species_pp: O Sn

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: c d d

Wyckoff_letters: d d d d d d

Wyckoff_letters: c d d


species: Ca Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: Fe O

Bravais_lattice_orig: TET

lattice_variation_orig: TET

lattice_system_orig: tetragonal

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_system_orig: tetragonal

Wyckoff_letters_orig: a d g h

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: Cu Hf

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

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: c g

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-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: c g

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Mn O

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

lattice_system_orig: cubic

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: diploidal

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

crystal_class: diploidal

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Re Sc

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a c

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

Wyckoff_letters: a c


species: Nb Ni


Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

crystal_class_orig: orthorhombic-sphenoidal

point_group_type_orig: enantiomorphic

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: b c d

crystal_class: orthorhombic-sphenoidal

point_group_type: enantiomorphic

point_group_structure: dihedral

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: a a

Wyckoff_letters: c b d


species: Ge Te

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e


species: K Li

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: V W

Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: d e

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Mn Y

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL


species: Ge V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b k

Wyckoff_letters: a h

Wyckoff_letters: b k


species: Hg Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mo Ru

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET


species: Se V


species: Cu F

crystal_class_orig: ditrigonal-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

crystal_class: ditrigonal-pyramidal

point_group_type: polar

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


crystal_class_orig: dihexagonal-pyramidal


species: H Zr


species: Mo S

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: g c


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Ti


species: Ca F


species: Cd O

species_pp: Cd O


sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: O V

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j k l l

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j k l l


species: Os Ta

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

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: O Ru

Bravais_lattice_orig: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

crystal_class: tetrahedral

point_group_structure: symmetric

aflow_prototype_params_list_orig: a b/a c/a


species: O Zr

Bravais_lattice_orig: MCLC

Bravais_lattice_relax: MCLC

Bravais_lattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Bravais_lattice_lattice_type: MCLC

Bravais_superlattice_lattice_type: MCLC

Wyckoff_letters: i i i

Wyckoff_letters: a i

Wyckoff_site_symmetries: m m m


species: Sc Zn

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Cr Li

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric


species: Re Y

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca K


species: Dy Pb


species: Cu Sc


species: Mo Ni


species: F Zn

species_pp: F Zn


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hg Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Cr La

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Mn Zr


species: I Mg

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

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


species: Cd Cu


species: P Rh

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Co Sc


Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: O Tc


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: a a


species: Ni Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Sr

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: d c e f k k

Wyckoff_letters: f f f k


species: Ca K

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Ga

crystal_class_orig: rhombohedral

point_group_structure_orig: cyclic

crystal_class: rhombohedral

point_group_structure: cyclic


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: O Zr

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cr Mg


species: I K


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca V


species: Li Tc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: As Nb

crystal_class_orig: monoclinic-sphenoidal

reciprocal_lattice_type_orig: MCLC

reciprocal_lattice_type: MCLC

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: Li Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu F

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca O

Wyckoff_letters: d d


species: Fe Li


species: F Ni

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: La O

species_pp: La O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe O

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Ca Zn


species: Li Mn


species: I Mn


species: O W

Wyckoff_letters_orig: f g j i

Wyckoff_letters: f g j i


species: Fe Mg


species: Au Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: C O

species_pp: C O

Wyckoff_letters_orig: h h

Wyckoff_site_symmetries_orig: .m .m

Wyckoff_letters: h h

Wyckoff_site_symmetries: .m .m


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Bi Te

Wyckoff_letters: c c


species: O Pt

species_pp: O Pt


species: Cu Fe

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Ce Ru


species: I V

aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Nb W


species: S Sn

species_pp: S Sn


species: Mn Sc


species: I O

species_pp: I O

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Hg Rh


species: Ca V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg V


species: Li Ti


species: Mn Zr


species: O Ti


species: Ca O

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e


species: F Zn

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

aflow_prototype_params_list_orig: a b/a c/a x2


sg2:
Pnma #62
Pnma #62
Imma #74


species: Mn V


species: Hf O

Wyckoff_letters: c c c


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Y Zn

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

Wyckoff_letters_orig: b l


species: Bi O


species: H Th

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mg Nb


species: K Pb

Wyckoff_letters_orig: c c c


species: Co Mn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Cr Mo


species: Cr W


species: Cu Ti

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mn Mo

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Mn W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo Ti

Wyckoff_letters: c d e


species: Mo Zn


species: Ni V

Wyckoff_letters_orig: c i

Wyckoff_letters: c i

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

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


species: Co W


species: Cr Zn

Wyckoff_letters_orig: c c


species: Cu V

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: Fe Ni

Bravais_lattice_relax: ORCF

Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: Mn Ti


species: Mn Zn


species: Mo W


species: Ni Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ti W


species: Cl Mg

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Hg Ni


species: Hg Ho


species: Hg K


species: Hg Li


species: Hg Mg

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

sg2:
Pnnm #58
Pnnm #58
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: Hg Rb


species: Hg S

species_pp: Hg S


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: F Nb


species: K Rb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Rb


species: Mg Ta


species: Rb Ta

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cl Pb

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: F Rb

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: O Pb

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

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: O Pr

species_pp: O Pr


species: Tb Zn

crystal_class_orig: dihexagonal-dipyramidal

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: Gd Tb


species: F Pb

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: Fe Yb


species: Mn Tb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ce V

Egap_DOS_type: metal


species: Cr Tb


species: Cu Nd


species: Er Sm


species: Er V


species: Er Zn


species: Fe Sm


species: Nd Ti


species: V Yb


species: Ba I

Egap_DOS_type: insulator

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m m m


species: Cd I

species_pp: Cd I


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Hf Mo

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Os Tc

crystal_class: hexoctahedral


species: Pd W


species: Re Zr


species: Au Tc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Yb


species: Ti Y


species: La W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mo Ru


species: Cr Hg

crystal_class: dihexagonal-dipyramidal


species: Fe Tc


species: Os Zr


species: Cd Ru

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cd Hf

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg Ni


species: Hf Ir


species: Mo Pt


species: Ta V


species: W Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Yb

species_pp: O Yb

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Sc Zr


species: La Ti


species: Pd Ta


species: Ni Sc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca Cl

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e


species: Mn Zr


species: Ca I


species: Co I

species_pp: Co I

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: I K


species: I Li


species: I Mg

aflow_prototype_params_list_relax: a b/a c/a beta


species: I Ni

Wyckoff_letters_orig: f f

Wyckoff_letters: f f

Wyckoff_letters: c e


species: Ag I

species_pp: Ag I


species: I Sn

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: I Sb

species_pp: I Sb

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i


species: I Pb

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Ni O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Rh Y


species: Cu I

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: I Zn

species_pp: I Zn

crystal_class_orig: hexoctahedral


species: Al I

species_pp: Al I


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: i j


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b d


species: Ga I

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: La Ni

Wyckoff_letters_orig: a l

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Ni Ru

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Nb


Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Ag Os

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: La Pd

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: S Sr


species: Hf Mo

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Zr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nb V


species: Ta Ti


species: Ta V

Wyckoff_letters_orig: a h


species: Ag Zr

point_group_Schoenflies: T

point_group_structure: alternating


species: Ag O

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Mo Ta


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Nb Ta


species: Ta W


species: Cr Pd

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Au Fe


species: Hf Ni


species: Mn Sc

Wyckoff_letters_orig: c d d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c d d


species: Os Tc

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Co La

species_pp: Co La


species: Cu Rh

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ni Re

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Rh V


species: Pd V


species: Sn Ti


species: F Mn

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Co K


species: Er Sb

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: 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: O Pr

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b


species: I Mn


species: Mn O

Wyckoff_letters_orig: g g g g

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

Wyckoff_letters: g g g g

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


species: I V

Wyckoff_letters_orig: e e


species: Ca K


species: Ag Bi


species: Nb O

crystal_class_orig: dihexagonal-pyramidal


species: Mg N

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: d f

Wyckoff_letters: a g

Wyckoff_letters: d f


species: F Ni


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Tc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Li P

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a b


species: Fe Mg

Wyckoff_letters_orig: b c


species: Ca I


species: Cd Ti

Wyckoff_letters: a b


Wyckoff_letters_orig: e f k

Wyckoff_letters: e f k


species: O Zr

Wyckoff_letters_orig: i i j

Wyckoff_letters: h i


species: Co O

species_pp: Co O

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a


species: Cr O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O Sr

crystal_class_orig: diploidal

crystal_class: diploidal


species: Pt Zr


species: F Sr

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O W

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

Wyckoff_letters_orig: a a a a a a a a

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

Wyckoff_letters: a a a a a a a a


species: Cd F

species_pp: Cd F


species: Mo Os

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Co Os


species: Cu K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cr Li

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Mn

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Ni Y

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: O Se

species_pp: O Se

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Tc V

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Co Mg


species: O Y

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: O Pd


species: I Mn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cu Li

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Te Zn

species_pp: Te Zn


species: N Os

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cu Mg


species: Ho O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: Fe Nb


species: I Ti


species: Ni O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a


species: O V

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: e e e


species: Ca O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: F Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c c c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c c c


species: Se Zn

species_pp: Se Zn

crystal_class_orig: orthorhombic-bipyramidal


species: La Rh

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Nb

Wyckoff_letters_orig: b b b c c

Wyckoff_letters_orig: a a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b b b c c

Wyckoff_letters: a a b


species: Co O

Wyckoff_letters_orig: a a a c c c

Wyckoff_letters_orig: b b b c c c

Wyckoff_letters: a a a c c c

Wyckoff_letters: b b b c c c


species: I Nb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Dy O


species: Co Cr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Fe Tc

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Zn


species: Mn Ni

Wyckoff_letters_orig: a l

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a l


species: Mg O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: Mn Ru

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Zr

Wyckoff_letters_orig: a a


species: Hf Sc


species: Hf Zn

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b c


species: Ni O


species: Cu O

Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: a h i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Li O


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a b

crystal_class: tetragonal-scalenoidal


species: Ni Sn

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a c g h h

Wyckoff_letters_orig: g g h h

Wyckoff_letters: a c g h h

Wyckoff_letters: g g h h


species: Hf Ir

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: O Sn

species_pp: O Sn


species: Sn Te

species_pp: Sn Te

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f h


species: O Si

species_pp: O Si

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


species: Ge S

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ti W

crystal_class_orig: ditrigonal-scalahedral


species: Nb S


species: Mn Os


species: Co Mn

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Sm Te

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: C Fe

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: O Os


species: Nb W


species: Ti Zn


species: Ti V


species: Co Mg

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i


species: Ca Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Xe

species_pp: F Xe


species: Co Y


species: Cu Zn


species: O Sr

Wyckoff_letters_orig: h k

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h k

Wyckoff_letters: a b


species: Li Zn


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c c c b b b a

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c c b b b a


species: I Mn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e a


species: K O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cd F

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

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

Wyckoff_letters_orig: e f


species: Co S

species_pp: Co S


species: Ag Mo


species: Fe Sc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co O

crystal_class_orig: orthorhombic-pyramidal


species: Hf O

Wyckoff_letters_orig: a b


species: Bi Ti

crystal_class: ditrigonal-scalahedral


species: Re Zr


species: Ca O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Au Ir

species_pp: Au Ir


species: O Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i


species: Cr F

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

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Li Ti


species: Ca Li

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Li Mg


species: Pd Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd O

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Pb S


species: Ca Co


sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Co K

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: I Nb

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

Wyckoff_letters_orig: c c c c b b

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

Wyckoff_letters: c c c c b b


species: O V

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a b c


species: Nd Sb

species_pp: Nd Sb


species: Ca Ti


Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: O Sr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: H I

species_pp: H I


species: O W


species: Co Re

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ru Th

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pr Ru

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Fe Zn


species: Mo Zn

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Ni V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: W Zn


species: Co Cu


species: Co Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr V

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Cr Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Mn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cu Mo

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu V


species: Mn Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ti W


species: Co W


species: Cr Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Fe


species: Cu Ti


species: Cu Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Mn


species: Fe Zn


species: Mn Ti


species: Mn V

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b


species: Mo Ni


species: V W


species: Cl Mg

crystal_class: diploidal


species: Hg Ho


species: Hg S

species_pp: Hg S


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


species: O Pb

sg:
Pc #7
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a


species: Cs Li

Wyckoff_letters: a b


species: Cs Mg


species: Cs Rb


species: Mg Rb


species: Pb Ta


species: Hg Li


species: F Nb


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l o

Wyckoff_letters_orig: d k n

Wyckoff_letters: a l o

Wyckoff_letters: d k n


species: Cl Nb

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Hg Yb

species_pp: Hg Yb


species: V Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Pr


species: F Pb


Wyckoff_letters: a a


species: Co Yb

species_pp: Co Yb


species: Cu Er


species: Dy Pm


species: Eu Ni


species: Ho Pr


species: Ho Zn


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Pr Sm


species: Tb Ti

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Be I

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cs I


species: Hg I

species_pp: Hg I


species: I Ni


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Cd Re


species: Co Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Ti

crystal_class_orig: diploidal


species: La Sc


species: Co Pd


species: Hf Ti

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hg Nb


species: Mo Pd

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Rh Ti


species: Ru Zr


species: Hg Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Zr


species: Co Nd

species_pp: Co Nd


species: La Zn

species_pp: La Zn


species: Ir Mo


species: Ir Re

Wyckoff_letters_orig: a f

Wyckoff_letters: a f

aflow_prototype_params_list_relax: a b/a c/a


species: Sm Ti


species: Ta Zr

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Y Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hf La

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Sc Zn


species: Ca I


species: I Li


species: I Mg

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: I Ni

Egap_DOS_type: half-metal

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Be I

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ag I

species_pp: Ag I


species: Cd I

species_pp: Cd I


species: I Pb

sg:
Pnma #62
Pnma #62
Cmce #64


sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: I Zn

species_pp: I Zn

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: d h

Wyckoff_letters: h g

Wyckoff_letters: c g


species: I Sr

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: Ag Ni

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Au W

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Hg Y

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Ta Ti

crystal_class_orig: monoclinic-prismatic


species: Ag La

species_pp: Ag La

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cd W

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Pd

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Cr Ta


species: Cr Tb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu Nb

crystal_class_orig: ditrigonal-scalahedral


species: Mn Y


species: Pd Sr


species: Ag Ti


species: Au Ru

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a d

Wyckoff_letters: c d d


species: Cd Ni


species: Co Tc


species: Ir Pd


species: Pd Zn


species: Hf V

Wyckoff_letters_orig: c d d


species: Hf Zr

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Nb W


species: Ta Ti

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ta Zr

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: V Zr

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cd Zr


species: Hf Nb

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mo Ta

sg:
Pnma #62
Pnma #62
Pnma #62


Wyckoff_letters: a d


species: Cu Rh

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Se


species: Ta Tc


species: Hf Sc

sg:
Pnnm #58
Immm #71
Immm #71


species: Re Y


species: Fe Ho


species: Hf Ru


species: Mn Re


species: Au Ho


species: Au W


species: La Mo

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74


species: Cd Re


species: Cd V


species: Mg O


species: O Os


species: K O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

crystal_class: monoclinic-prismatic

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: O Sr

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


species: F Mn

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Ag Sc

crystal_class: ditetragonal-dipyramidal


species: B Y

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: g i n p

Wyckoff_letters: g i n p


species: Ca Zn


species: N Os


species: I Tc

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: c f f

Wyckoff_letters: c f


species: O Re

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Yb

species_pp: O Yb


species: As Co

species_pp: As Co


species: Cu Pt


species: Ag Re

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: I V

Wyckoff_letters_orig: a a


species: Cd O

species_pp: Cd O


species: Ni Sc

Wyckoff_letters_orig: a d


species: O Zr

Wyckoff_letters_orig: e i j

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e i j


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn O


species: Hf Sc

crystal_class: ditrigonal-scalahedral


species: Ti Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr F

Wyckoff_letters_orig: a c


species: Pd Sc


species: H V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Zn


species: Cu S

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: S Sn

species_pp: S Sn


Wyckoff_letters: a c


species: La Ta

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: a b c d

Wyckoff_letters: a b c d


species: S Zn

species_pp: S Zn

crystal_class_orig: ditrigonal-pyramidal

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

crystal_class: ditrigonal-pyramidal

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


species: Er Re


species: Sc V


species: Cl F

species_pp: Cl F

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: Ga Pt


species: O Y

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_letters: b b

Wyckoff_letters: a b


species: Mg Se

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: F Fe

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

Wyckoff_letters_orig: b c c c c c c

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

Wyckoff_letters: b c c c c c c


species: F Sr

Wyckoff_letters_orig: c c


species: Ir W

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Ni O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Cr O

Wyckoff_letters_orig: d c


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sc


species: Mn Zr

Wyckoff_letters: c c


species: Ca Tc

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Co O

species_pp: Co O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca Ni

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ag Zr


species: As Mg


species: Co K


species: Cu Mg

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


Wyckoff_letters_orig: a c h

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a c h

Wyckoff_site_symmetries: mmm mmm 2mm


species: Fe K

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Cr Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca K

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O V

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: 2/m m m m m


Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Ca Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Zr

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O Re

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cu Li

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Ni W


species: Hg Pt

species_pp: Hg Pt

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: I Mn


species: F Fe


species: Co Se

species_pp: Co Se


species: F Ti

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

Wyckoff_letters_orig: c c c c b

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

Wyckoff_letters: c c c c b


species: Ge O


species: Hf S


species: Mg N

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Nb P


species: Er Ga


Wyckoff_letters_orig: a e i

Wyckoff_letters: e i


species: F Ni

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ru Y


species: O W

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Co H

species_pp: Co H


species: I Ti


species: O Sc

crystal_class: dihexagonal-pyramidal


species: Br Tl

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: B C


species: S Zn

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

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


species: Re Zn


species: F Mn

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i j j j

Wyckoff_letters: a i


species: Ca Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pd Ti


species: Cr Mg


species: Ca O


species: Ge Nb


species: Mg O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Cu Li


crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: N Nb

crystal_class: dihexagonal-dipyramidal


species: Ir O

species_pp: Ir O

crystal_class: diploidal


species: Pd Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Dy Pt


Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ag Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Mg

crystal_class_orig: diploidal

crystal_class: hexoctahedral


species: Se Sn

species_pp: Se Sn


species: Li Zn


species: Se Ti

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: a f

Wyckoff_letters: d g

Wyckoff_letters: a f


species: Ir Te

species_pp: Ir Te


species: Fe Tc


species: S Sn


species: Bi O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Au Ni

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Pt

species_pp: O Pt


species: Hg Sc

crystal_class: tetrahedral


species: O Tc

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: H Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: F Mn

Wyckoff_letters_orig: g j

crystal_class: monoclinic-prismatic

Wyckoff_letters: g j


species: Ti Zr


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Pd Pt

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Zr


species: Nb O

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mg Se

crystal_class: ditetragonal-dipyramidal


species: Co Li

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Tc

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Hf Nb

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: K Li

crystal_class_orig: ditetragonal-dipyramidal


species: F Li


species: Ca Co

crystal_class_orig: hexoctahedral


species: Li Tc


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: H Ni

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: O Pd


species: Nb S


species: Bi O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: N Pr

species_pp: N Pr


species: Cr Zn


species: Mn Ni


species: Ni V


species: Ca Cu


species: Fe O

sg:
Cmce #64
Ccce #68
I4/mmm #139

sg2:
Cmce #64
Cmce #64
I4/mmm #139


species: Cs Pb

crystal_class_orig: tetrahedral


species: Mg Nb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Ta


species: Mo Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Fe

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co W


species: Cr Mo

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Mo


species: Cu Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo V


species: Ni W


species: Ti W

Wyckoff_letters: a e


species: V W

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: V Zn


Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Co Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co Zn

species_pp: Co Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cu Mn


species: Cu V


species: Fe Zn


species: Mn W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ni Ti


species: Ni Zn


species: Ti V


species: W Zn


species: Cl Pb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: b c c c c

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: b c c c c


crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Hg Se

species_pp: Hg Se


species: Cl Mg

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

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

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


species: Cl Nb

Wyckoff_letters_orig: a e


species: Ca Rb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters: c d e


species: Nb Rb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Pb Ta

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Hg Li

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ce O

species_pp: Ce O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a b

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a b


species: Ce Mn


species: Fe Gd


species: Ce Co

species_pp: Ce Co

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pm Zn

species_pp: Pm Zn


species: Cr W

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d

Wyckoff_letters: a c


species: Er Ho


species: Co Sm


species: Co Yb

species_pp: Co Yb


species: Cr Yb


species: Dy Gd


species: Er Fe


species: Eu Ho

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Fe Ho


species: Gd Ho


species: Al I

species_pp: Al I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Ni

crystal_class_orig: monoclinic-prismatic


species: Cr I


species: I Si

species_pp: I Si

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ag Pd


species: Cr Ir


species: Cr Ru

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mo Re

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ag Pt

species_pp: Ag Pt

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: Nb Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Sc Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Mn Nb


species: Co La

species_pp: Co La


species: Nb Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ag Mo


species: Fe Re

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: La Zr


species: Al O

species_pp: Al O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Au Tc

sg:
Immm #71
Immm #71
Immm #71


species: Ba O

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ca N


species: La Pd

crystal_class: dihexagonal-dipyramidal


species: Nb Tc

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Ir Ni


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_letters: a b

Wyckoff_letters: b b


species: I Mg

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: c f f

Wyckoff_letters: c f


Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Ni

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b


species: Be I

Wyckoff_letters_orig: a b g g

Wyckoff_letters: a b g g


species: I Zr

Wyckoff_letters_orig: c d


species: Ag I

species_pp: Ag I


species: I Sn

species_pp: I Sn

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: I Sb

species_pp: I Sb


species: I Pb

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Hf Zr


species: Ni Y

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Os Pd

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c


species: Pt Y

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: hexoctahedral


species: Rh Zn

crystal_class_orig: hexoctahedral


species: I Sr

crystal_class: monoclinic-prismatic


species: Cd Zr

crystal_class_orig: ditrigonal-scalahedral


species: Mo Pt


species: Nb Re

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Ir

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Co Pr

species_pp: Co Pr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ba S

crystal_class: ditetragonal-dipyramidal


species: Nd Ti


species: Os Zr


species: Nb Y


species: Hf Ta


species: Mo Ta


species: Nb Ta


species: Ta Ti

Wyckoff_letters: c d


species: Hf Ti


species: Pd Rh

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ru Zn


species: Ti Zr

crystal_class_orig: diploidal

crystal_class: diploidal


species: W Zr


species: Cd Y

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ru Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd Os


species: Pm Zn


species: Yb Zn

species_pp: Yb Zn

crystal_class: ditrigonal-scalahedral


species: Cr Pt

Wyckoff_letters: a h


species: Hg Tc

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Pd Ti

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


species: W Y


species: Cu Ir


species: Sn Sr


species: Tc Zr

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ca F


species: O V

crystal_class_orig: trigonal-trapezoidal


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ni O

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a b c


species: Pt Re

Wyckoff_letters: c c c


species: Ni Sc


species: Cr P


species: I Tc

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: O Zr

sg:
Ama2 #40
Cccm #66
Cccm #66


species: I Nb

Wyckoff_letters_orig: c c h h

Wyckoff_letters: c c h h


species: F Ni

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Sc Zn


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: a c

Wyckoff_letters: c f


species: Ge Se


species: O Os


species: O W

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: a b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b b b

Wyckoff_letters: a b


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: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Mg


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Nb


species: C Ca


species: Ga Zr


species: Nb O


species: Ba Sc


species: Li V

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Dy O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: b c


species: F Ti

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


crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Co F

species_pp: Co F


species: Ca Li

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ag Ni

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a f


species: Cd W


species: Gd O

species_pp: Gd O


species: Ca O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a e


species: Li Ti


species: Ca Cr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mn Pt

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Ti


species: O Sc

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f f f f f f

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

crystal_class: rhombohedral

Wyckoff_letters: f f f f

Wyckoff_letters: a c b e f d


species: Ge O

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: V Zr

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Pb Te

sg2:
Pmmn #59
Pmmn #59
Immm #71


species: Fe O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mg O

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Ag Re


species: Mn Nb


species: Li Ni

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Sc W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ni V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ca F

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: I V

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c

Wyckoff_letters: c c

Wyckoff_letters: b c


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: a b

Wyckoff_letters_orig: h k

Wyckoff_letters: a b

Wyckoff_letters: h k


species: Hg Zn

species_pp: Hg Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Ti

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e

Wyckoff_letters: a e

Wyckoff_letters: e e


species: O Ru


species: Os Ti


species: Mn Sc


species: F Zr

crystal_class_orig: dihexagonal-pyramidal


species: Nb O

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Au Yb

species_pp: Au Yb


species: O Sn

species_pp: O Sn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

Wyckoff_letters: a c h p

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: Se W


species: Rh Te


species: Os Pd

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Zr

Wyckoff_letters_orig: c d


species: F K


species: Cr Re


sg2:
Pc #7
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a


species: Mo Nb

Wyckoff_letters_orig: a f


species: Hf Zr

crystal_class_orig: ditetragonal-dipyramidal


species: Ge Ta

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: C Ta

Wyckoff_letters_orig: c d d d

Wyckoff_letters: c d d d


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: i i

Wyckoff_letters: a i i

Wyckoff_site_symmetries: 2/m m m


species: As Li

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Li V

sg2:
Pnnm #58
Immm #71
Immm #71


species: Mo O

Wyckoff_letters_orig: a b


species: Ca Cu

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca Fe

Wyckoff_letters_orig: b c


species: C Sc


crystal_class_orig: hexoctahedral


species: Ca Zn


species: C Ru

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O Sc

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Ag Ni


species: In O

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Bi O


species: Ga Se

Wyckoff_letters_orig: a i


species: Fe Li

crystal_class: hexoctahedral


species: Bi Yb

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: B Tc


species: Ca Mg


species: O Sn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a


species: O Zr

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g


species: Cu F

crystal_class: ditetragonal-dipyramidal


species: Li Ni


species: Pb S

crystal_class: dihexagonal-pyramidal


species: Cd Cr

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h


species: S Sn

species_pp: S Sn


sg2:
Immm #71
Immm #71
Immm #71


species: Cu Y

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Rb Se


species: Fe O


species: Ce Te

species_pp: Ce Te

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O W

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a h g


crystal_class: ditrigonal-scalahedral


species: Hf Pt

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mn O


species: F Mg

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: Ni S

Wyckoff_letters: a c


species: Ba N

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: g i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i j

Wyckoff_letters: g i


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: O Sr


species: O Ti

sg:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a b

Wyckoff_letters_orig: a a a a b b b b b

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a b

Wyckoff_letters: a a a a b b b b b

Wyckoff_site_symmetries: m m m m m m m m m


species: O Re

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: K O


species: Ca K

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn Ni


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Rb


Wyckoff_letters_orig: b m m m m m m m m m m m m m m m n n n n n n n n

Wyckoff_letters_orig: a m m m m m m m m

Wyckoff_site_symmetries_orig: 2/m m m m m m m m m m m m m m m m m m m m m m m m

Wyckoff_site_symmetries_orig: 2/m m m m m m m m m

Wyckoff_letters: a m m m m m m m m

Wyckoff_site_symmetries: 2/m m m m m m m m m


species: Co Mo


species: Co Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Ni


species: Cu Mn

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cu Ti


species: Fe W


species: Mn V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mo Ni


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mo Zn


species: Ni Zn


species: Ti W

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Co Cu

sg2:
Pnnm #58
Pnnm #58
Immm #71


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cr Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cu Ni


species: Cu V


species: Cu Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe Ni

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Fe Ti


species: Mn Mo


species: Mo Ti


species: Mo W

Wyckoff_letters: b h


species: Ti Zn

Wyckoff_letters: a c


species: Hg Ho


species: Hg Te

species_pp: Hg Te


species: Hg In


species: Hg K


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: F Nb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Pb

Wyckoff_letters_orig: a b c f

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c f


species: Ca Nb


species: Ca Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: K Ta


species: Li Rb


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mg Rb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pb Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Rb Ta


species: Hg Li

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cl Pb

Wyckoff_letters_orig: a a

Wyckoff_letters: a b


Wyckoff_letters_orig: a b


species: F Ta

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cu Eu


species: Cu Ho

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ni Pm

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Zn


species: Cl Nb

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: c a


species: Ca Cl

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: Cr Eu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Gd


species: Fe Pm

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nd V


species: Tb Ti


species: Ag I

species_pp: Ag I

sg2:
Cc #9
Cc #9
Cc #9


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I In


species: I Pb

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal

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

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


species: Co I

species_pp: Co I


species: Hg I

species_pp: Hg I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Au Zr

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


species: Cu Dy


species: Hf Ir


species: Nb Re

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Fe Sc


species: Cr Ta


species: Fe Pt


species: Hf Ti


species: Os V


species: Cd Nb


species: Mn Ta


species: Ag Mn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Hg Pd


species: Re Rh


species: Al O

species_pp: Al O


species: La Pt

species_pp: La Pt

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

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Hf Hg


species: Os Ta


species: Ca I


sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Co I


species: Cr I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e f

Wyckoff_letters_orig: c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e f

Wyckoff_letters: c c


sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: I Ni


species: I Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ag I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b a a a a

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b a a a a

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


species: Ba I

crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: a a a b b

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

Wyckoff_letters: a a a b b

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


species: Sc Zr


species: Cu I


sg:
Pmmn #59
Pmmn #59
Immm #71

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: e e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: e e


species: I Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: Al I

Wyckoff_letters_orig: e f f f f


sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ag Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: C Si

species_pp: C Si


species: F Ti

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

Wyckoff_letters_orig: a a a a

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

Wyckoff_letters: a a a a


species: Nb Sc


species: Au Hg

species_pp: Au Hg


species: Rh Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Rh Tc

Wyckoff_letters_orig: c d


species: Re V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Au Zr


species: Nb Pt


species: Nb Zr

crystal_class: dihexagonal-dipyramidal


species: Os Pt


species: Ti Y

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ba Si

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb V


species: Y Zn


species: Ag S

crystal_class_orig: dihexagonal-pyramidal


species: Hf Y

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hf Mo

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cd Pt

species_pp: Cd Pt


species: Hf Ti


species: Hf V

Wyckoff_letters: c e d


species: Hf Zr

sg:
Pnnm #58
Immm #71
Immm #71


species: Nb W


sg:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters: a e


species: Ti Zr


species: Mn Ru


species: Pd Se

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: a a a a a a a a


species: Re Y


species: Hg Zn

species_pp: Hg Zn


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr Ta


species: Eu Gd

species_pp: Eu Gd


species: Au Os


species: Co O

species_pp: Co O

Wyckoff_letters: c d


Wyckoff_letters_orig: a e


species: F V


species: O Si

species_pp: O Si

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: F Ti

crystal_class_orig: tetragonal-scalenoidal


species: O W

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Au Cu

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mg S

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: I V

crystal_class_orig: hexagonal-pyramidal


species: Ir Mn

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Ni O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Nb Zr

crystal_class_orig: ditrigonal-scalahedral


species: Cr O

crystal_class_orig: ditetragonal-dipyramidal


species: Eu O

species_pp: Eu O


species: Ir O

species_pp: Ir 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: Ru Si

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: B V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c l

Wyckoff_letters: a h

Wyckoff_letters: c l


species: Cu F


species: O Tc

crystal_class_orig: diploidal


species: Hf Pd

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


species: Ag Bi

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ir Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca O


species: I Tc

crystal_class_orig: hexoctahedral


species: Li Tc


species: Nb Ni


species: Mo Pt


species: Co F

species_pp: Co F

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Ca Co


species: O Sc

sg:
Pnma #62
Pbcm #57
Pbcm #57

sg2:
Pnma #62
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a d d


species: P Pb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Re


species: Sc Zn

Wyckoff_letters_orig: c d


species: O Sr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg Pt

species_pp: Hg Pt

sg:
Immm #71
Immm #71
Immm #71


species: Co O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: B Fe


species: Cr O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Li Ni


species: Nb O


species: Ca Mg


species: O Zr

Wyckoff_letters_orig: h h h

Wyckoff_letters_orig: c e h

Wyckoff_letters: h h h

Wyckoff_letters: c e h


species: Mg Xe


species: Rh Sc


species: O W


species: Ge S


species: Eu O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Er O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Nb

sg:
Pnma #62
Pnma #62
Cmce #64

sg2:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a


species: Mg O


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


Wyckoff_letters_orig: a d


species: Bi O

crystal_class: tetragonal-scalenoidal

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Pb Se


species: Cl Xe

species_pp: Cl Xe

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Mn O

Wyckoff_letters_orig: a b c e

Wyckoff_letters: a b c e


species: Cr Sc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Li O


species: Co Zr

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h


species: Cr O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


species: O Ti


species: Cd Ni


species: Mo O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a d


species: Co Re


species: Mg Si

Wyckoff_letters_orig: a e i i i i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: a c i i i i i

Wyckoff_letters: i i i i


species: Co Fe


species: F K


species: F Ti


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca Zn

crystal_class: diploidal


species: Ag La

species_pp: Ag La


species: Co V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Ni

crystal_class: hexoctahedral


species: Mo N


species: W Y


species: Cr Zn

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: F La

species_pp: F La

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: I Tc

Wyckoff_letters_orig: c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c


species: Nb O

crystal_class: ditetragonal-dipyramidal


species: Pt Si

species_pp: Pt Si

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mn Ti

Wyckoff_letters_orig: a d


species: I Mn


species: Au Tc


species: Mo O


species: O Ti


species: Cd O

species_pp: Cd O


species: I Nb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu Hf


species: Hf Ta


sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: O W

sg:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: F Sr


species: Li Ni

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ta V

Wyckoff_letters: b h


species: Ir Tc


species: Li Tc

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: Pb S


species: O Si


species: Mn O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: d i

Wyckoff_site_symmetries: 2/m m m m


species: Al Pd


species: Ca Ti


species: I Ta

Wyckoff_letters_orig: c c c c d d d

Wyckoff_letters: c c c c d d d


species: Mo V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mg Te

crystal_class_orig: tetragonal-dipyramidal


species: Cr K


species: Co Cu


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Ni Ti

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: a b c d e


species: I Mn

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Tc Ti

Wyckoff_letters: a d


species: Bi Ti

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Li Ti


species: Ga Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: i i j k

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: i i j k


species: O Pt

species_pp: O Pt


species: Pd Ta


species: Ge Rb

Wyckoff_letters_orig: e i

crystal_class: tetrahedral

Wyckoff_letters: e i


species: Mn Te

crystal_class_orig: orthorhombic-bipyramidal


species: Pb Te


species: Ir Mg

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: a e e f g g h h h h h

Wyckoff_letters: e e e

Wyckoff_letters: a e e f g g h h h h h


species: Fe Li

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca Cu

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cl H

species_pp: Cl H

Wyckoff_letters_orig: a a a a a a a

Wyckoff_letters: a a a a a a a


species: Cd O

crystal_class: monoclinic-prismatic


species: Mn O

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Cr K

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Li O

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: Fe Ti


species: Fe Mg

crystal_class_orig: monoclinic-prismatic


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Se Zn

species_pp: Se Zn


species: Ir Ru


species: O Sc

Wyckoff_letters_orig: e e

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Mn Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Sr

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Cu I


species: Ca Ti

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Bi Ti

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Co Mg

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Li Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca Tc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Sn

species_pp: O Sn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: I Ti

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Mo Pd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: K Mg

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Mn

Wyckoff_letters_orig: c c


species: O Sr

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: I Tc

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m m m


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Mn Zr

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b e


species: Ge Ho

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c c d

Wyckoff_letters: c d d


species: F Fe

sg:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: I Ta

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Ge Ni

sg:
Pnma #62
Pmmn #59
Pmmn #59

sg2:
Pnma #62
Pmmn #59
Pmmn #59


species: Co F

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: Ir La

species_pp: Ir La


species: Mg Nb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e


species: Pb Rb


species: Mg Pb


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Ni

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cu Ni

crystal_class: tetragonal-dipyramidal


species: Co Cu

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cr Mo

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Cr Ti


species: Cr V


species: Cu Fe


species: Cu Ti


species: Fe V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: V W


species: Co Cr


species: Co Mo

sg2:
Immm #71
Immm #71
Immm #71


species: Co Ti


species: Co W


species: Co Zn

species_pp: Co Zn


species: Cr Fe


species: Cr W

crystal_class_orig: tetrahedral


species: Cu W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mn Ni


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mo Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ni V


species: Ni W

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: V Zn


species: W Zn


species: O Pb

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: d a


species: Ca Cl


species: Hg K

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg In

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg Li


species: Hg O

species_pp: Hg O


species: Hg Rb


species: Cl Pb

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: K Nb


species: Li Rb


species: Mg Ta


species: F Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: c c


species: Cl Nb

Wyckoff_letters_orig: c g i i j

Wyckoff_letters_orig: d i

Wyckoff_letters: c g i i j

Wyckoff_letters: d i


species: Cl Ta


sg:
Pnma #62
Imma #74
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c c

Wyckoff_letters: e e


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Ni Zn

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Fe Yb


species: Ce Ho


species: Co Pm

species_pp: Co Pm


species: Cr Pm


species: Dy Er


species: Er Nd


species: Fe Nd


species: Ho Ni


species: Sm Ti


species: Tb V


species: Tb Zn


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Hg I

species_pp: Hg I


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Pb


species: Er Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Tc


species: Cd Ru


species: Hg Y

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Rh Sc


species: Sc Zr


species: Pt Zn

species_pp: Pt Zn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cd Cr


species: Cu La


species: Hf Mn

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: La Sc


species: Au V

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cd W


species: Co Pt

species_pp: Co Pt


species: Hf Ta


species: Nb Zn


species: Mn Rh


species: Pd Pt

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Au Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Ta


species: Au La

species_pp: Au La

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Ni Y

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Cr I


species: Fe I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: b b


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


Wyckoff_letters_orig: e e


crystal_class_orig: diploidal

crystal_class: diploidal


species: I K


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: I Li


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d


Wyckoff_letters_orig: e e e


species: I Ni


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a b l

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4


species: I Zr

crystal_class_orig: monoclinic-prismatic

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: I Sn

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

Wyckoff_letters_orig: a b c c

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

Wyckoff_letters: a b c c


species: I Pb

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a


Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Au Mo

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Sc Y


species: Cu I


species: I Sr

sg:
Pmna #53
Cmmm #65
P4/mmm #123

sg2:
Pmna #53
Pmna #53
Pmna #53

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Pd Tc

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Re V


species: Au V


species: Fe Rh

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ag Ir

species_pp: Ag Ir


species: Mo Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Os Ta


species: Ba Hg


species: Hf V


species: Mo Ta

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cu Os

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hf Tc

Wyckoff_letters: c e d


species: Ag Hg

species_pp: Ag Hg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Se

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Fe Re


species: Ir Y

crystal_class_orig: ditrigonal-dipyramidal


species: Nb Pt

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Hf Nb


species: Nb V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb Zr

crystal_class: ditrigonal-dipyramidal


species: Ta V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ti Zr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


Wyckoff_letters_orig: b h


species: Hf W

crystal_class: ditrigonal-scalahedral


species: Hf Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O Ta


species: W Zr


species: Co Ta

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Pt Rh


species: Au W


species: Mo Ta

sg:
Pnma #62
Pbam #55
Pbam #55

sg2:
Pnma #62
Pc #7
Pbam #55


species: Fe La

crystal_class: tetrahedral


species: Pr Yb

species_pp: Pr Yb


species: Re Zn


species: Cr Sm


species: Dy Pr


species: Ca O


species: Ca Li


species: Hg Zn

species_pp: Hg Zn


species: Cr O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: As B


species: Cr Rh


species: K Li


species: S Y

sg:
Pnma #62
Pnma #62
Pnma #62


species: Cd O

species_pp: Cd O

crystal_class_orig: trigonal-trapezoidal


species: F K


Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: d c


species: O Sn

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i j

Wyckoff_letters: a i


species: O Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cu Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Hg

species_pp: Co Hg


species: Fe O

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a c f

Wyckoff_letters: b d e


species: Co K


species: Co Mg

crystal_class_orig: ditrigonal-scalahedral


species: Pt V


Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Ca Cr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Li V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li Tc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F Mn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: e e e e

Wyckoff_letters: a e


species: N W


species: Nb Sc

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ag N

species_pp: Ag N

Wyckoff_letters_orig: d h

Wyckoff_letters: d h


species: As Er


species: Nb O


species: Hf Tc

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Nb Rh


species: Mn O

crystal_class_orig: ditetragonal-dipyramidal


species: F Fe

crystal_class_orig: orthorhombic-sphenoidal


species: O Zr


species: O Ru

Wyckoff_letters_orig: a a a a


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Au Rh


species: I Mg


species: Li O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: O Sb

species_pp: O Sb

crystal_class: trigonal-trapezoidal


species: Nb Tc


species: Ca Li


species: Fe O

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: F Sn

species_pp: F Sn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Cr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


Wyckoff_letters_orig: a a


species: Ca O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a c

Wyckoff_letters: c f


species: Fe Re

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cd Fe


species: F V

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: Au Cd

species_pp: Au Cd

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Mn V

crystal_class_orig: hexoctahedral


species: Hg Rh

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


crystal_class_orig: tetrahedral


species: Ge Zr


species: Mn O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c d


species: Hg O

species_pp: Hg O


species: Li Zn


species: K Li


species: Ge Te

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: h h


species: Cr Zn


species: O Os

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca Zn


species: Cu Sc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Tc

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: La Sb

species_pp: La Sb


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: f g h

Wyckoff_letters: e f


Wyckoff_letters_orig: a d


species: Li V


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cu K

sg2:
Pmmn #59
Immm #71
Immm #71


species: Co La

species_pp: Co La

Wyckoff_letters_orig: a c c d h

Wyckoff_letters_orig: c c

Wyckoff_letters: a c c d h

Wyckoff_letters: c c


species: Cr K

Wyckoff_letters: a d


species: Fe Th

Wyckoff_letters_orig: a f h i i j j

Wyckoff_letters: d f h c


species: Mo O


species: Fe Pd


species: Cd Cu


species: Ca Tc

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Co Ti


species: Co W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: I Pt

species_pp: I Pt

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Ni 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

Wyckoff_letters: a a


species: Ti Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: O Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Al Zr

crystal_class: hexoctahedral


species: Co F

species_pp: Co F


species: F V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu K


species: Pb S

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Mn Rh

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Li Ti


species: Ca Mn


species: O W

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: F Fe

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Sc Ti


species: Cr O

crystal_class_orig: monoclinic-prismatic


species: Ca Co

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ca Ge

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: a b c i

Wyckoff_letters_orig: d f h i

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: a b c i

Wyckoff_letters: d f h i


species: Cd Cu


sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

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

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

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

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


species: Cr F

Wyckoff_letters_orig: a a a

Wyckoff_letters: c c c


species: Li O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: C Eu

species_pp: C Eu


species: Nb O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: I Tc

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: O Pd

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe Li


species: Fe V


species: Ni Ti


species: O Tb


species: Nb V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F V

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


species: Ca V


species: S Sn

species_pp: S Sn


species: Hg Ta

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cu Li

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Ge Pd

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: b c d d g g g

crystal_class: rhombohedral

Wyckoff_letters: a d g

Wyckoff_letters: b c d d g g g


species: Cd O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Li O


species: O Sr

crystal_class_orig: tetragonal-scalenoidal


species: Ni O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: O Tl

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Sc Zn

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Fe Li

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ni Ru

crystal_class_orig: ditrigonal-scalahedral


species: O Ti

crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i


species: O Tb

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: O W

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co K

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Au Os

Wyckoff_letters_orig: d e


species: Nb Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: I Ti

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Ag Au

species_pp: Ag Au


species: Ir Se

species_pp: Ir Se


species: Li Pb


species: O Ta

Wyckoff_letters_orig: e f

crystal_class: ditrigonal-scalahedral


species: Ca Pb

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Sr Zn

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: Cu V

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn Ni


species: Ni Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co Cu

crystal_class: ditrigonal-dipyramidal


species: Co Mn

Wyckoff_letters_orig: e e


species: Co Mo

crystal_class_orig: hexoctahedral


species: Co V


species: Co Zn

species_pp: Co Zn


species: Cr Fe


species: Cr Ti


species: Cu Fe


species: Cu Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Ti


species: Fe W


species: Mn Mo


species: Mn V


species: Mn Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mo Ni

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mo Ti


species: V W

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Cr Mo

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cu W

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Mn Ni


species: Mo W


Wyckoff_letters_orig: a l


species: Hg Ho


species: Hg S

species_pp: Hg S


species: Cs K


species: K Ta


species: Mg Ta


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Rb Ta