species: La Pd

crystal_class_orig: tetrahedral


species: Sn Te

species_pp: Sn Te

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

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

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a c/a


species: O Pr

species_pp: O Pr

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

lattice_system_relax: orthorhombic

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-pyramidal

point_group_type: polar

point_group_structure: dihedral

Bravais_lattice_lattice_type: ORCF

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCF

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: Ni Sc

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_orig: a c/a


species: O V

Bravais_lattice_orig: TET

lattice_variation_orig: TET

lattice_system_orig: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Sc

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: d c

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Cd V

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: a i

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: a i

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

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


species: Ta Zr

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: F Mg

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC


species: I Tc

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Fe Mn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: S Sn

species_pp: S Sn

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Ca Ni

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm


species: Ir Sc

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

Bravais_lattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT


species: O W

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: Li Ti

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Rh Ta

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sn

species_pp: O Sn


Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f


species: Br Ta

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ni Ru


species: Ag La

species_pp: Ag La

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Nb Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: O V

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: d i i i

Wyckoff_site_symmetries: 2/m m m m


species: O Tb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe O


species: K O


species: O Os


species: Mo O

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

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b b b

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: a a b b b b


species: Ca O

Wyckoff_letters_orig: a b f f

Wyckoff_letters: a b f f


species: Cd Mo


species: F Pt

species_pp: F Pt

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Ir O

species_pp: Ir O


species: Ni Y

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Zn

species_pp: O Zn

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

point_group_structure_orig: cyclic

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e


species: Mg Te


species: F Fe


species: Bi S


species: F Tl


species: Mg N

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

Wyckoff_letters: i i


species: Co O

species_pp: Co O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Sr

Wyckoff_letters: a b


species: Co K


species: Au Ir

species_pp: Au Ir

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Ge O

point_group_structure_orig: symmetric

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d e e i

crystal_class: tetrahedral

point_group_structure: symmetric

Wyckoff_letters: c e

Wyckoff_letters: d e e i


species: N Zr


species: Hg Se

species_pp: Hg Se


species: Fe Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Tc Zr


species: Cu Zr


species: Pd Sm

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c c


species: Ir Ni

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Au Mo


species: Ag Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Au Sn

species_pp: Au Sn


species: Se Zn

species_pp: Se Zn

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC


species: La Zn

species_pp: La Zn

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: O W

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

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 a c c c

Wyckoff_letters_orig: b b b c c c

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

Wyckoff_letters: a a a c c c

Wyckoff_letters: b b b c c c


species: Sc V


species: I Nb

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: d a


species: Fe Zr


species: Cu Li

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mo Re


species: I P

species_pp: I P

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal


species: O Rh


species: Ni O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b b


species: Cr O


species: Br Cu


species: I Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Mg


species: Eu H

species_pp: Eu H

sg2:
Pnma #62
Pnma #62
P4/nmm #129


species: Ir Tc

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

reciprocal_lattice_type: ORCF

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: Cd Mn


species: Ca Mn

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Rh Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic


species: Fe I


species: Rh Tc

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Cr F


species: Ni Os


species: Nb O

Wyckoff_letters_orig: g e n

Wyckoff_letters_orig: h f n

Wyckoff_letters: g e n

Wyckoff_letters: h f n


species: O V


species: P S

species_pp: P S

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e e


species: I Nb

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Ca O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Fe O

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: c e


species: O Zn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a c f l

Wyckoff_letters: b e


species: Mn O


species: Dy Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ir O


species: Mo O


species: Ca Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ga Sm


species: O Pb


species: Cr O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Ag Bi

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: S Sn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: c c


species: Be W

Wyckoff_letters_orig: f i j

Wyckoff_letters: f i j


Wyckoff_letters_orig: a a


species: Fe Mg

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a b/a c/a


species: V Zn


sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g h i

Wyckoff_letters: g h

Wyckoff_letters: g h i


species: O Ta

Wyckoff_letters_orig: a c k


species: K Pb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Pb


species: Cu Ti


species: Co Cr

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Co Ti


species: Cr Fe

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Mn


species: Cr Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu Fe


species: Mo Ni


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Cr Mo

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr Ti


species: Cr V


species: Cu Mo


species: Mn Mo


species: Ni Zn


species: W Zn


species: Cl Nb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hg Ho


species: Hg In


species: Hg K

crystal_class_orig: tetrahedral


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Hg Mg

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


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

Wyckoff_letters: c e


species: Hg Rb

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cl Pb

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


species: Ca Rb

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: K Ta


species: Nb Pb

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Pt

species_pp: Hg Pt


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ce O

species_pp: Ce O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: Fe Tb


species: Er Pr

crystal_class: dihexagonal-dipyramidal


species: Ce Pr

species_pp: Ce Pr

Egap_DOS_type: metal


species: Cu Sm


species: Dy Yb


species: Er V


species: Fe Ho

Wyckoff_letters: d g


species: Gd Ni


species: Yb Zn

species_pp: Yb Zn


Wyckoff_letters_orig: b d

crystal_class: hexoctahedral

Wyckoff_letters: b c


species: Al I

species_pp: Al I

Egap_DOS_type: insulator

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Cd I

species_pp: Cd I

crystal_class: ditrigonal-scalahedral


species: I Ni

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: I Pb

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: Cs I


species: Ga I


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

crystal_class: orthorhombic-bipyramidal


species: Mo Pt


species: Nb Re


species: Au Rh


species: Au Cu

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Fe Os


species: Ta V


species: Co Pt

species_pp: Co Pt


species: Os Sc


species: Tc Zn


species: Ag Ni

crystal_class_orig: dihexagonal-pyramidal


species: Cd Re


species: Cu Ir

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hg Zr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Mo Zr


species: Au Ni


species: Au Sc


species: Bi Cs


species: Hf Zr

Wyckoff_letters_orig: a h


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ca I

sg:
Pbcm #57
Cmcm #63
P4/mmm #123

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a c f l

Wyckoff_letters: a c h p

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: Cr I

Egap_DOS_type: half-metal

Wyckoff_letters: c b


species: Fe I

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m


species: I Li

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: a f


species: I Mg

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Be I


species: I Si

species_pp: I Si

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i i


species: I Sb

species_pp: I Sb

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: I Pb

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ag Au

species_pp: Ag Au

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ag Y

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Fe Pt


species: Ir Mo


species: Ag Cd

species_pp: Ag Cd

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Ti

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: Re Rh

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: La Mo


species: Fe Pm


species: Hf Ir


species: Ni Re

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Au Tc


species: Fe Ru

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ir Tc


species: Nb Zn


species: Cd Ru


species: Cr Ir

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O W

Wyckoff_letters_orig: g h k

Wyckoff_letters: g h k


species: Cr La


species: Fe La


species: W Zr


species: Hf Mo

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Nb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Nb Ta


species: Nb V


Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Nb W


species: Ta Zr


species: V Zr


species: Sr Te

Wyckoff_letters_orig: c f


species: Cd Ti


species: Hg Re


species: Ag Nb


species: Hg Mo


species: Co La

species_pp: Co La


species: Pd Tc


species: Cr K


species: C Ti


species: Co K

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: I Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: Ca Mg

Wyckoff_letters_orig: d g


species: Ca Cr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Ru


species: Nb Ru

Wyckoff_letters_orig: c c c


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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


species: O V


species: Li O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m

Wyckoff_site_symmetries: m m m m


species: Bi O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Mn O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a b b


species: Cu Li

Wyckoff_letters_orig: a c


species: Ce Rh


species: O Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Al Zr

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b k

Wyckoff_letters: a h

Wyckoff_letters: b k


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Nb Y

Wyckoff_letters_orig: b g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: N Rh


species: O Sc


species: N Te

species_pp: N Te


Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a


species: Ga N

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ca Co

Wyckoff_letters: a c


species: F Fe

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Au Nd

species_pp: Au Nd


species: Cr O


species: Au V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Ta


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu K


species: I Ti


species: Li Ni

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: I Mn

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: d a


species: Cr Fe

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Li

Wyckoff_letters_orig: d g


species: Te Zn

species_pp: Te Zn


species: Nd Se

species_pp: Nd Se


species: Fe Zn


species: Hf O

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: h i

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: h i


Wyckoff_letters_orig: a c


species: Ge O

crystal_class_orig: orthorhombic-bipyramidal


species: Cd W


species: Au Ni


species: La Y


species: K Li

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Re Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pb Te

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Co Mg

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Fe

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Hg Re


species: F V


species: I V

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Ag Bi

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O V

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

Wyckoff_letters_orig: a c i i i i i i

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

Wyckoff_letters: a c i i i i i i


species: Re Y

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Al H

species_pp: Al H

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


crystal_class_orig: ditetragonal-dipyramidal


species: Pt Si

species_pp: Pt Si

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: Mn N


species: F Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


crystal_class_orig: hexoctahedral


species: Bi Rb


species: Pb S

crystal_class_orig: ditrigonal-scalahedral


species: Ca Ni

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cr W


species: Bi O

Wyckoff_letters_orig: a a


species: O Ti


species: I Tc


species: Dy Tc


species: Co Mg

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

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Fe Mg

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Pd Ta


species: O Tc


species: Ag Os

Wyckoff_letters_orig: a d


species: O W


species: Ba Se


species: F Fe

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ag Nb


species: Ca F


species: Fe O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Li


species: Ca O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Co O

species_pp: Co O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c c c c


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e e


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Tb Zn


species: Li Mg


species: O Sc

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j

Wyckoff_letters: a h i

Wyckoff_site_symmetries: m m 1


species: F Sm

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b f i

Wyckoff_letters: b c k


species: Ir Tc

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Mg S


species: Ca Si

Wyckoff_letters_orig: c c


species: Au Zr


species: Mn Pd

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Ni


species: As Ni

Wyckoff_letters: c c


species: O Re

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Ca Mn

Wyckoff_letters: a d


species: P Ru


species: Ca Fe


species: Ca O

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Cu O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: d a


species: Nb O

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: c c c d e

Wyckoff_letters: c c c d e


species: I Ti

Wyckoff_letters_orig: a d

crystal_class: ditetragonal-dipyramidal


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: c e g

Wyckoff_letters: c e g


species: O Si

species_pp: O Si

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


species: Co H

species_pp: Co H


species: Ca Mg


species: I Li


species: Bi Mg

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Ag Ru

crystal_class_orig: diploidal

crystal_class: diploidal


species: Co W

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Pt V

Wyckoff_letters_orig: c d

crystal_class: hexoctahedral


species: Nb V


species: Ru Sb

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Se Si

species_pp: Se Si

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Ca K

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mo Ta

Wyckoff_letters_orig: b e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b e


species: Nb Ni


species: Fe Ti


species: Mn O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: Mg O


species: Cr O


Wyckoff_letters_orig: g l

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g l


species: Au Ga

Wyckoff_letters_orig: a d f g i i

Wyckoff_letters_orig: e h

Wyckoff_letters: a d f g i i

Wyckoff_letters: e h


species: Cd O

species_pp: Cd O


species: N Se

species_pp: N Se

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i


species: O Ta

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c


species: C Mg

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: i a


species: Co Cr


species: Cu W


species: Fe W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co Cu

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral


species: Co Fe

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Cu Zn


species: Fe Mn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Fe Mo


species: Ti V


Wyckoff_letters: c c


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Ni


species: Cr Fe


species: Cr W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Ni

crystal_class_orig: dihexagonal-pyramidal


species: Fe V


species: Fe Zn


species: Mo V

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Mo W


species: Ni V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cl Nb

sg:
Pnma #62
Pnma #62
Cmmm #65


species: F Ta

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


species: Hg K

Wyckoff_letters_orig: b f m m

Wyckoff_site_symmetries_orig: mmm 2mm .m. .m.

Wyckoff_letters: b f m m

Wyckoff_site_symmetries: mmm 2mm .m. .m.


species: Hg Ho


species: Hg Li

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Hg Rb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Hg Se

species_pp: Hg Se


species: Hg Yb

species_pp: Hg Yb


species: O Pb

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a b b


species: Ca Rb


species: Li Rb


species: Li Ta


species: Nb Rb


species: Cl Cs

crystal_class_orig: ditetragonal-dipyramidal


species: Dy Ti


species: Fe Gd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Sm

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Yb


species: Gd Ni


species: W Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Dy Mn


species: Dy Er

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe Sm

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Pr


species: Cu Sm


species: Pm Pr

species_pp: Pm Pr


species: Pm V


species: Pm Zn

species_pp: Pm Zn


species: Pr Sm


species: Ag I

species_pp: Ag I


crystal_class: dihexagonal-pyramidal


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Sr

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Au Zn

species_pp: Au Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ru Tc


species: Nb Ni

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: C Mo

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: b f

Wyckoff_letters: a f

Wyckoff_letters: b f


species: Ru Ti


species: Hg Mo

crystal_class_orig: ditrigonal-scalahedral


species: La Re


species: Au Ta


species: Ti Zr

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Au Cd

species_pp: Au Cd

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cr Os

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Os


species: La Ru

Wyckoff_letters_orig: a i


species: Cr Hf

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


crystal_class_orig: hexoctahedral


species: Ni Zr


species: Ca I


Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_letters: c b e m

aflow_prototype_params_list_orig: a b/a c/a x6

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


species: Co I

species_pp: Co I

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr I

Wyckoff_letters_orig: a d


species: Fe I


species: I K


species: I Li

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Be I

Wyckoff_letters_orig: a a


species: Ge I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: I Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ag I

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: I Sb

species_pp: I Sb


species: Ba I

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a b

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a b

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


crystal_class: ditetragonal-dipyramidal


species: I Pb

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

Wyckoff_letters_orig: b b c c c c

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

Wyckoff_letters: b b c c c c


Wyckoff_letters: a a


species: Hf Mo


species: Sc V


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g


species: Al I

species_pp: Al I


species: Fe Pd

Wyckoff_letters_orig: a h


species: Mo Sc


species: Fe Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Tc Zn


species: Cu Pt


species: La Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni Y

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ir Pt

species_pp: Ir Pt


species: Pd Sc


species: Ru Ta


species: Ag W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ce Gd

species_pp: Ce Gd


species: Mo Re


species: Ta V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ta W

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Mo Nb

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Mo Zr


species: Nb Zr


species: Ta Ti


Wyckoff_letters: c g


species: Cd Re


species: Ir Ta


species: Ag Y


species: Ce Eu

species_pp: Ce Eu


species: Hf Re


species: Nb Zn


species: Cu Se


species: Ir Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: d a


species: Ca V


species: Bi O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Nb


species: Nb Pt

crystal_class: diploidal


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a a a a b b

Wyckoff_letters: a a a a b b


species: Bi Fe


species: O Sr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Cu Pt


species: B Tc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Al O

species_pp: Al O


species: Mg O


species: La O

species_pp: La O


species: Ni Re

Wyckoff_letters: a c


species: Cd O

species_pp: Cd O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i i i i

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: i i i i i i

Wyckoff_site_symmetries: m m m m m m


species: Cr Os


species: Ca Co

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: I Nb


species: Ru Zn


species: Ni O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i

Wyckoff_site_symmetries: 2/m m m m m


species: Cd F

species_pp: Cd F

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


species: Au W


species: O Os


species: F Mg

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters: c c


species: Sc Zr


species: Ca Ni

Wyckoff_letters_orig: a h


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Hg Zr


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Fe Sc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: La Pt

species_pp: La Pt


species: N Pd


Wyckoff_letters_orig: c c


species: B P


species: Mg O

sg:
Fmm2 #42
Fmmm #69
Fmmm #69

sg2:
Fmm2 #42
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: d c e

Wyckoff_letters: h g o


species: Al Dy

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Bi

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: O Tb


species: O W

Wyckoff_letters_orig: a c d

Wyckoff_letters: a c d


species: Cu Li

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Fe Ru

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Mg Te

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Lu N

species_pp: Lu N


species: Ni O

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: a h

Wyckoff_letters: h h


species: O Zr

Wyckoff_letters_orig: a e f f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: a e f f f


species: Pr Te

species_pp: Pr Te

Wyckoff_letters: a c


species: Hg Nb

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: S Zn

species_pp: S Zn


species: Li O

crystal_class: hexoctahedral


species: Cl W

Wyckoff_letters_orig: i i i j j j j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j j j j

Wyckoff_letters: g j


species: Co O

species_pp: Co O

sg:
Pbcm #57
P4/mmm #123
Cmmm #65

sg2:
Pnma #62
Cmmm #65
Cmmm #65

crystal_class: orthorhombic-bipyramidal


species: Rh Sn

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

point_group_Schoenflies: T

point_group_structure: alternating


species: Ca O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: Hf Ni

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: b e i i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: b e i i i i i i


species: Cu O


species: O Zn

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: Nb Tc


species: Co K


species: Ir Te

species_pp: Ir Te


sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: Ru Sc

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mo O

sg:
Pmmn #59
Pmmn #59
Cmmm #65

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: La Os


species: As Se

species_pp: As Se

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: V W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ge O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ni O

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: c c

Wyckoff_letters: a d


Wyckoff_letters_orig: a a


species: Cr Mg


species: Nb Te


crystal_class: dihexagonal-dipyramidal


species: Au Pd

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g


species: O W

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: K Li

Wyckoff_letters: c c


species: I Zn

species_pp: I Zn


Wyckoff_letters: a b b


species: I Ta

Wyckoff_letters_orig: e f


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Zr


species: C N

species_pp: C N


species: Ca Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: La S

species_pp: La S


species: Fe O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f h


species: Cu O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


crystal_class_orig: diploidal


species: Cr Li

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: As O

species_pp: As O

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: Ca Li

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral


species: Pd Tc

crystal_class_orig: orthorhombic-bipyramidal


species: O Re

crystal_class: ditrigonal-dipyramidal


species: Li 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 K

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: I V

Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

Wyckoff_letters: a c h p

Wyckoff_letters: b g


species: O V

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: F Ni

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Pb S


species: Pb Te

Wyckoff_letters_orig: c c


species: Si Yb

species_pp: Si Yb

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: d e

Wyckoff_letters: i m

Wyckoff_letters: d e


species: Mn Sc


species: Ca Ni

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Ca F


species: Mg O

Wyckoff_letters_orig: e e e

Wyckoff_letters: c d


species: O Ti

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: e e

Wyckoff_letters: e e f

Wyckoff_letters: e e


species: Cd Cs

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca Mn


species: O Zr

Wyckoff_letters: e e e


Wyckoff_letters_orig: g h k

Wyckoff_letters: g h k


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au Ir

species_pp: Au Ir

crystal_class_orig: ditetragonal-dipyramidal


species: I Tc

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: F Ti

Wyckoff_letters: c c


species: Ca O

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: a c

Wyckoff_letters: c f


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Bi Ti

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


species: Hg Ta

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


crystal_class_orig: ditrigonal-scalahedral


species: I Li

crystal_class_orig: hexoctahedral


species: Fe Rh


species: As B

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: Au Zn

species_pp: Au Zn

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: S Zn


species: O Si

species_pp: O Si

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a

Wyckoff_letters: a a


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: K O

Wyckoff_letters_orig: a b


species: S Zr


species: O V


species: Hf O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: O Tc


species: Mg Xe


species: O Os


species: Ca Zn

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: F Sc

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Pt Si

species_pp: Pt Si

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e e e


species: Ir Os


species: Fe Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ca Li


species: Mg O

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4

aflow_prototype_params_list_relax: a c/a z4


species: F Ti

sg:
Cmcm #63
Cmcm #63
P6/mmm #191

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f g h

Wyckoff_letters_orig: a d

Wyckoff_letters: c f g h

Wyckoff_letters: a d


species: I Mg


species: Co F

species_pp: Co F

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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

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


sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Fe H

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g i j j

Wyckoff_letters: g i j j


species: Ca Tc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mg Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cr Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Mo


species: Mo Ni

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co V


species: Co Zn

species_pp: Co Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cr Fe

crystal_class: ditetragonal-dipyramidal


species: Cu Fe


species: Cu Mn


species: Cu Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu V

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe Mn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe Ti


species: Mo V


species: Ti W


species: Co Fe

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr Cu


species: Cu Zn


species: Fe Mo

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Zn


species: Mo Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg In


species: Hg Li


sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Hg Rb

crystal_class: diploidal


species: Hg Se

species_pp: Hg Se


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ca Ta

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: K Nb


species: Mg Rb


sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb Pb


species: Nb Rb

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cl Nb


species: Er Ti


species: Er Yb


species: Co Er

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ce Mn


species: Dy Mn


species: Dy Pr


species: Er Tb


species: Fe Sm

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ho Ni


species: Ni Sm


species: Ag I

species_pp: Ag I

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Pt

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Mo


species: Nb Ni


species: Ni Y


species: Pt Ru

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: V Zn


species: Ag Cu

crystal_class_orig: ditrigonal-dipyramidal


species: Os Pt


species: Co Pt

species_pp: Co Pt


species: Cr Y


species: Hg Pt

species_pp: Hg Pt

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Ir Ni


species: Hf Y


species: Hg Ni


species: Os Zr


species: Rh Ru

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca I

crystal_class: monoclinic-prismatic


sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Co I

species_pp: Co I


crystal_class_orig: tetragonal-trapezoidal


species: Cr I

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I K


species: I Ni

Wyckoff_letters_orig: a c d f

crystal_class: hexoctahedral

Wyckoff_letters: a c d f


species: Ba I


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: I Pb


species: Co O

species_pp: Co O


species: Rh Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: W Zr


species: Cu I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: c f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Pt

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ni Sc

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Os Zr


species: Cd Rh


species: Sc Zn


species: La Ru

crystal_class: dihexagonal-dipyramidal


species: Cu Y


species: Fe Re


species: Au Ni

Wyckoff_letters: b f


species: Hf Mo

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hf Nb


species: Mo Zr

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Nb Sc

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Nb V

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Ta V

Wyckoff_letters_orig: c e


species: Hg Ir

species_pp: Hg Ir


species: Hf Pd


species: Ag Tc


species: Cr Ta


species: Cu Ir


species: Hf Y


species: Li Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co F

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: I Mg

crystal_class: ditrigonal-scalahedral


species: F Tl

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

crystal_class_orig: orthorhombic-bipyramidal


species: Ni O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f


species: Nb O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Nb

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ir Mn

Wyckoff_letters_orig: c d


species: Ca P

Wyckoff_letters_orig: a g h

Wyckoff_letters_orig: i i j

Wyckoff_letters: a g h

Wyckoff_letters: i i j


Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Pt

species_pp: O Pt

Wyckoff_letters_orig: g i


species: Cu F


species: Li Zn


species: I Li


species: Re Rh

Wyckoff_letters_orig: a d


species: Cd O

species_pp: Cd O


species: Co Li


species: Cd V

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: K Mg


species: Cu K

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

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: P Sn

species_pp: P Sn

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c

Wyckoff_letters: a c

Wyckoff_letters: c c


species: H V

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: g i j m

Wyckoff_letters_orig: d h

Wyckoff_letters: g i j m

Wyckoff_letters: d h


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: I Mn

Wyckoff_letters_orig: a f

Wyckoff_letters: c f


species: O Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: O Si

species_pp: O Si

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: f i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: f i


species: N V


crystal_class_orig: dihexagonal-dipyramidal


species: O Pd

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


Wyckoff_letters_orig: g l

Wyckoff_letters: g l


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ti W


species: Ca Ti

Wyckoff_letters: a d


species: Au Ir

species_pp: Au Ir

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Al N

species_pp: Al N


species: Mn Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Au Mg

Wyckoff_letters_orig: b k

Wyckoff_letters: b k


species: F Zn

species_pp: F Zn


species: C Zr


species: Fe V

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mn O


species: O Re

Wyckoff_letters_orig: a b b


species: Bi O

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: g g

Wyckoff_letters: a n


species: Al H

species_pp: Al H

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Cr K

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O Ta

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: c d e f k k

Wyckoff_letters: f f f k


species: Dy Se


species: Li O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Fe O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: K Mg

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Mg O

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: K O

Wyckoff_letters_orig: a b

Wyckoff_letters: c a


species: O Sr

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: I Tc


species: Mo Nb


species: Br Ca


species: B Nd

Wyckoff_letters_orig: e h j

Wyckoff_letters: e h j


species: Ag Co

species_pp: Ag Co

crystal_class_orig: hexoctahedral


species: Pt S

species_pp: Pt S


species: Cu F

Wyckoff_letters_orig: a a a b

Wyckoff_letters_orig: a b b b c c c c

Wyckoff_letters: a a a b

Wyckoff_letters: a b b b c c c c


species: Cr O


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: f f f f f f

Wyckoff_letters_orig: e f f

Wyckoff_letters: f f f f f f

Wyckoff_letters: e f f


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: I Mg

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: Cu Mn

crystal_class_orig: tetrahedral


species: Mo Re


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co F

species_pp: Co F

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: c c


species: F Zn


species: I Ti


species: Cr Ni


species: Fe K


species: Cu Mo


species: Ir Y

crystal_class: ditrigonal-dipyramidal


species: Mo Pt

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Zr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i

Wyckoff_letters: d i i i


species: F V

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Zn Zr


species: Au Sr

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Co Li

crystal_class: tetrahedral


species: I Mn


species: Pb Se

Wyckoff_letters_orig: b b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b b b


species: O Zn

crystal_class_orig: diploidal


species: O Ru


species: Nb Ni

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Y


species: O Sr

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: La Rh

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: c c d

Wyckoff_letters: c d d

Wyckoff_letters: c c d


species: Mg O

crystal_class_orig: trigonal-trapezoidal


species: Ca V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Mn


species: Mg Mn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: W Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Li Ti


species: Cr Os


species: Ir Nb

Wyckoff_letters_orig: c c


species: I Nb


species: Bi O

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: F Ti

Wyckoff_letters_orig: a d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a d


species: O Sn

species_pp: O Sn

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: a c d e

Wyckoff_letters: a c d e


species: Ti V


species: Cu La

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: h g

Wyckoff_letters: a h

Wyckoff_letters: h g


species: O Re

Wyckoff_letters_orig: c d


species: Hf Pd

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: F Mn

aflow_prototype_params_list_orig: a c/a y2


species: Co O

species_pp: Co O

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: H Sc


species: Ca Cl

Wyckoff_letters_orig: m n


species: Fe K


species: F Fe


species: Cu F

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cu Li

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Ta

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a b

Wyckoff_site_symmetries: .m .m


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cr V

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Li Ni


species: Mn O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cl K


species: Fe O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: Cr O


species: Os Zr


species: Cr Ir

Wyckoff_letters: c d


species: Au Pt

species_pp: Au Pt

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mo Y


species: Cu Rh

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Au Ta


species: Ca Tc


species: O Sn


species: Ca Ti


species: Re V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: La Sn

species_pp: La Sn

Wyckoff_letters_orig: h j k p p r r

Wyckoff_letters_orig: a b g h j l m n n o q

Wyckoff_letters: h j k p p r r

Wyckoff_letters: a b g h j l m n n o q


species: Ca Cr

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: I Li


species: Cr F

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I V

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: Pb Se


species: V Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca K

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Bi O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: O Ta

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: d d d e

Wyckoff_letters: d d d e


species: Ca Pb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Mn


species: Co Mo


species: Co Ni


species: Cr Fe

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Ni


species: Cu Ti

Wyckoff_letters: c d e


species: Cu W


species: Fe Mn

crystal_class_orig: ditrigonal-dipyramidal


species: Mn V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mo Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo W

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ni Ti

Wyckoff_letters: c e d


species: Ti Zn


species: V Zn


species: Co Cr


species: Co Fe


species: Co W


species: Co Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Mn


species: Cr Mo


species: Cr Ti

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cr Zn


species: Cu Zn


species: Mn Ni

crystal_class_orig: tetragonal-dipyramidal


species: Mn Ti

crystal_class_orig: dihexagonal-dipyramidal


species: Mo V


crystal_class_orig: ditetragonal-dipyramidal


species: V W

crystal_class_orig: ditrigonal-scalahedral


sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cl Ta

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i j j j

Wyckoff_letters: a c g h


species: F Pb

crystal_class: hexoctahedral


species: Hg K

crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Rb


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


species: K Nb


species: K Ta

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Li Rb


species: Li Ta

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Nb Pb

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e


species: F Nb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i i i


species: Ce Ti


species: Cr Er


species: Cu Pm


species: Cu Tb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: O Sm

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Fe Tb

crystal_class: dihexagonal-dipyramidal


species: Co Ho


species: Pr V


species: Co Dy


species: Co Er


species: Cr Pr


species: Er Eu


species: Er Mn


species: Fe Yb


species: Ho Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mn Nd

Wyckoff_letters: d e


species: Sm Ti


species: I In

crystal_class: orthorhombic-bipyramidal


species: Al I

species_pp: Al I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hg I

species_pp: Hg I


species: I Rb


species: Au Ru


species: Hg Mn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Au Ta

Wyckoff_letters: d g


species: Hf Zr

crystal_class: ditrigonal-scalahedral


species: Ag Hg

species_pp: Ag Hg


species: Ag W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Hg Pt

species_pp: Hg Pt


species: Au Zr


species: Cr Os


species: Ru Ta


species: Os Ti


species: Dy Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Os Pd


species: V Y


species: Nb Sc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb Tc


species: Hg Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ir Mn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ca I

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Cr I

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe I

aflow_prototype_params_list_relax: a b/a c/a y2


species: I K

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: I Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Mg

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Ni

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f

Wyckoff_letters: c f


species: I Rb

sg2:
Pnma #62
Pnma #62
Immm #71


species: I Zr

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Sn

species_pp: I Sn

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

Wyckoff_letters_orig: a a b

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

Wyckoff_letters: a a b


species: I Pb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


sg2:
Pnma #62
Pnma #62
Pnma #62


species: Nb V


species: Cu I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c

Wyckoff_letters: m n

Wyckoff_letters: b c


species: Ga I


species: I Sr


species: Cs I


species: Co Re


species: Tc Y

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Y Zr


species: Cd La

species_pp: Cd La

Wyckoff_letters_orig: a e

Wyckoff_letters: a c


species: Os Re


species: Ag Cu

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Au Cu

Wyckoff_letters_orig: a c


species: Cd Re


species: Co Tc


species: Mn Ta


species: Mo Pt


species: Mo Te


species: Tc Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Re

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Nb S

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: Nb Zr

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Mo Nb


species: Nb Ta


species: Ta Y


species: Ta Zr

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: V Zr


species: Au Ir

species_pp: Au Ir


species: Co Ru


species: Cr Pd


species: Fe Hg

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hf Nb


species: Rh Zn


species: Rh Sc


species: Zn Zr


species: Hg Re

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cd Rh

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Pd

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr F

Wyckoff_letters_orig: a c g h

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters: a c g h

Wyckoff_letters: i i i j j j


species: Re Sc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe Mg


species: Cr O


species: Li Tc


species: I Ni


species: O Sn

Wyckoff_letters_orig: a b c e

Wyckoff_letters: f a d


species: Ag Ru


species: F Fe

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c b b

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

Wyckoff_letters: c c c b b


species: O Sr

Wyckoff_letters_orig: a a a a b b

Wyckoff_letters: a a a a b b


species: Ba Zn

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


Wyckoff_letters_orig: a a


species: Ag Ir

species_pp: Ag Ir

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I V


species: O Sc

crystal_class: triclinic-pinacoidal


species: O Tc

Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e

Wyckoff_letters: e e


species: Fe O

crystal_class_orig: diploidal

crystal_class: diploidal


species: V Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Nb O

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: I Tc


species: Ca Cl


species: Li O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Mn O


species: O Zn

species_pp: O Zn

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Cr Li

Wyckoff_letters_orig: a e


species: K Mg

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Au Ca


species: I Ni


species: O Ta

Wyckoff_letters_orig: f h

Wyckoff_letters_orig: b c

Wyckoff_letters: f h

Wyckoff_letters: b c


species: Li Mn


species: Hf Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd La


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg Te

crystal_class_orig: trigonal-trapezoidal


species: Ce Cl

species_pp: Ce Cl

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Cd Mn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Mn


species: Cr Mg


species: Mo O

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: O V

crystal_class: orthorhombic-pyramidal


species: Sn Te

species_pp: Sn Te


species: Au Os


species: O Sn

species_pp: O Sn


species: O Ti

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: d a

Wyckoff_letters: c a f


species: Ca F

Wyckoff_letters_orig: a a


species: I Tc

Wyckoff_letters_orig: a b b

Wyckoff_letters: a d


species: Li O


species: Pb Te

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: K O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Mg O


species: O Tc

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ba P

Wyckoff_letters_orig: e g g h i i

Wyckoff_letters_orig: f g h h i

Wyckoff_letters: e g g h i i

Wyckoff_letters: f g h h i


species: F Ru


species: Al Hf


species: Ga Sc

Wyckoff_letters_orig: a d


species: Cu Mo

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Cr Li


species: Nb O

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: I Nb


species: Ni Ti

Wyckoff_letters_orig: a b f

Wyckoff_letters: a b f


species: Al Th

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I V


species: Nb Ni

crystal_class: tetrahedral


species: Tc Zr


species: I Mg


species: B Y

Wyckoff_letters_orig: l m n

Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: l m n

Wyckoff_letters: d e


species: C Co

species_pp: C Co

Wyckoff_letters_orig: a c f h

Wyckoff_letters: a c f h


species: Cr S

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: O Sr


species: O Pt

species_pp: O Pt


species: F Sr

Wyckoff_letters_orig: c c


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Re Y


species: O V

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e


species: Co O

species_pp: Co O

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-domatic

Wyckoff_letters: a b c


species: Co F

species_pp: Co F

Wyckoff_letters: c c


species: Bi O

Wyckoff_letters: a d


species: Nb O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i


species: Cu Hg


species: Cr Mg


species: I Ti

Wyckoff_letters_orig: a d


species: Sn Te


species: Hf Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Sc

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ta W


species: Os Pt


species: O Sn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: K Mg


species: Au Ti


Wyckoff_letters_orig: h g o

Wyckoff_letters: g h o


species: I Mg


species: B Ho

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e h j

Wyckoff_letters: e h j


species: O Pd

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd Mn


species: Fe Sc

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Ru Tb


species: F Hf

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I O

species_pp: I O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: I Ni

crystal_class_orig: ditrigonal-scalahedral


species: I Tc


species: Tc Y


species: Hf Ni

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Cd Ti


species: Ag Bi

crystal_class_orig: hexoctahedral


species: Cr O

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 b b b

Wyckoff_site_symmetries_orig: m m m m m m m m 1 1 1

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

Wyckoff_site_symmetries: m m m m m m m m 1 1 1


species: Li Mn


species: Co Mg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: I Ta

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f


species: Li V


species: Nb Ti

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: F Ti


species: Mg O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ce Sn

species_pp: Ce Sn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ir Nb

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Li O

crystal_class_orig: orthorhombic-pyramidal


species: Pt Te

species_pp: Pt Te

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ce Sb

species_pp: Ce Sb


species: Co Nb

Wyckoff_letters_orig: a h


species: F V


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f f f


species: Mo W

Wyckoff_letters_orig: a c


species: Fe Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Rh


species: Hg Y


species: Co O

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: O Ta

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c a


species: Sn Te


species: Rh V

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e


species: O Si

species_pp: O Si

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Pd

Wyckoff_letters_orig: c d


species: Co K


species: Ni O


species: Ca Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters: a c

Wyckoff_letters: a b d


species: Fe O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i


species: O Ti


species: Pb Rb


species: Li Pb

Wyckoff_letters_orig: h i


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: a a


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g


species: F W

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


Wyckoff_letters_orig: g j

Wyckoff_letters_orig: g h

Wyckoff_letters: g j

Wyckoff_letters: g h


species: Cu Mn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Cr

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Co Fe


species: Cu Mo

Wyckoff_letters_orig: b d

crystal_class: hexoctahedral

Wyckoff_letters: b d


species: Fe Ti


species: Mn Mo


species: Cr Cu


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr V


species: Cu W


species: Cu Zn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe Mn


species: Fe Mo

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Fe Ni


species: Mo W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: a d

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a d


species: Ni Ti


species: Ni Zn


species: Cl Mg

sg:
Pbcn #60
Pbcn #60
Cmcm #63

Wyckoff_letters_orig: c c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c d


species: Cl Nb

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Nb

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Hg Ho

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg K

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Li


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te

crystal_class: ditrigonal-scalahedral


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cs Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Rb


species: Pb Ta


Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Eu O

species_pp: Eu O


species: Mo V

crystal_class_orig: orthorhombic-bipyramidal


species: Gd Mn


species: Mn Pm


species: Fe Ho


Wyckoff_letters_orig: g i i

Wyckoff_letters: g i i


species: Ho Ti


species: Fe Nd


species: Ce Cr


species: Dy Tb


species: Eu Ni


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72


species: Co I

species_pp: Co I


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Bi La


species: Hf Hg

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: N Tc


species: Os Re


species: Pd Y

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ag Au

species_pp: Ag Au


species: Hf Ta

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Hg

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


species: Cr Ir

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ir V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mn Os


species: Cd Cu

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd Pd


species: Hg Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ir Nb

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: La W


species: Pd Pt


species: Pt Zr


species: Ru Ti

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ru Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe O


species: Co Ta


species: Ca I

sg2:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c


species: I Ni

Wyckoff_letters: c c


crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal


species: Be 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: I Si

species_pp: I Si

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

Wyckoff_letters_orig: a a b

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

Wyckoff_letters: a a b


species: Ag I

species_pp: Ag I


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: I In

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

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: I Sn


species: Hg I

species_pp: Hg I

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Ir Pd

crystal_class_orig: dihexagonal-dipyramidal


species: La Pt

species_pp: La Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu I


species: Ni Ru


species: Cr Y


species: Cd La

species_pp: Cd La


species: Hf Y

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Au Ru


species: Hf Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Au Tc


species: Cu Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe Os

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ir Mo

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Hg

crystal_class_orig: ditrigonal-scalahedral


species: Pd W

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Co Sc


species: Hf V


species: Hf Mo

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf W

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


crystal_class_orig: hexoctahedral


species: Nb Ti

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ta W


species: Nb Ta


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cs Hg

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cr Ir


species: Ag Pd


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Sc Ti


species: Nb O


species: I Te

species_pp: I Te

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: F V


species: La Y

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ir Y

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Be Zn

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Cr Rh


species: Bi Se


species: Mg O

sg:
Pnma #62
Pnma #62
Pnma #62


species: B Mn


species: O V

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a


species: Cr Mg


Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: I Mg


species: Fe O

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Co Mg

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Os Zr


species: Ag Bi

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Mn

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: O Tb

crystal_class: ditetragonal-dipyramidal


species: B Li

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c c

Wyckoff_letters_orig: d e

Wyckoff_letters: a c c

Wyckoff_letters: d e


species: C N

species_pp: C N


species: Ca Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca Ti


species: Bi O


species: I Nb

Wyckoff_letters_orig: a a a a b b

Wyckoff_letters: a a a a b b


crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f

Wyckoff_letters: c f f


Wyckoff_letters_orig: a b


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sr

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a c


species: C Mo


species: Ca Zn


species: Be Pt

Wyckoff_letters_orig: f i j

Wyckoff_letters: f i j


species: Rb S

crystal_class_orig: monoclinic-prismatic


species: O Ru

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i

Wyckoff_letters: c i i

Wyckoff_site_symmetries: 2/m m m


species: Ti V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a


species: Cd Ti

crystal_class_orig: orthorhombic-bipyramidal


species: O Rh

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a d g

crystal_class: tetragonal-scalenoidal


species: Co Mo


species: Cd Zr


species: Os Ru


species: Br Ca


species: F Mn

Wyckoff_letters_orig: a g

crystal_class: hexoctahedral

Wyckoff_letters: a g


species: Ir Y

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Tc


species: Li Ti


species: K O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Sc

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Nd Sb

species_pp: Nd Sb

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: Re S

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Fe Li

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71

crystal_class: orthorhombic-bipyramidal


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hg Sr


species: Ag Bi


species: Br O

species_pp: Br O

crystal_class_orig: ditrigonal-pyramidal


species: I V

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Rh Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li Mn


species: C Li

sg2:
Cmce #64
Pmmm #47
Pmmm #47


crystal_class: ditrigonal-scalahedral


species: Ni Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Ti


species: Ca Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Pb


species: F Sr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Bi O

Wyckoff_letters_orig: a b


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: F Mn

sg2:
Ibam #72
Ibam #72
Ibam #72


species: F Ni


species: Ag Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Mg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Re

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: F Tl


species: Co K


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Fe


species: As Co

species_pp: As Co

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a c f k

Wyckoff_letters_orig: f f g g j k

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a c f k

Wyckoff_letters: f f g g j k


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Co Mg


species: Sc Zr

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb O


species: Fe O

Wyckoff_letters_orig: e i

Wyckoff_letters_orig: a e i

Wyckoff_letters: e i

Wyckoff_letters: a e i


species: Cr Mo

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: O Rh

crystal_class: diploidal


species: Mg O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Bi O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: c f

Wyckoff_letters: e f f


species: Br Zn

species_pp: Br Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: F Ni

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: Cr Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca O

Wyckoff_letters: i i i i


species: Cu O


species: Li Zn


species: Cr V


species: S Th


species: Co O

species_pp: Co O


species: F Mn

Wyckoff_letters_orig: a a


species: Cr K

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O Si

species_pp: O Si

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: V W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hf V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: H S

species_pp: H S

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

Wyckoff_letters_orig: a b

Wyckoff_letters: c a


species: Fe Mg


species: Mo V

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters: a e


species: Co K


species: I Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sb

species_pp: O Sb


species: Li O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: K Li


species: Fe O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd Nb


species: O Os

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Y Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Bi Ti


species: O Pt

species_pp: O Pt


species: Ca Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Mn

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Rh Ru

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Mn Ta

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sn

species_pp: O Sn

crystal_class: trigonal-trapezoidal


species: K O


species: Bi O

Wyckoff_letters_orig: b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b


species: Cd O


species: Hf Ta

Wyckoff_letters_orig: a b


species: Ba Sb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Fe


species: F Ni


species: Mg Pb

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c


species: O Ta

Wyckoff_letters_orig: g i i

Wyckoff_letters: g i i


species: K Pb


species: Mg Nb


Wyckoff_letters_orig: b c

Wyckoff_letters: c c

Wyckoff_letters: b c


species: Mo W


species: V Zn


species: Co Fe


species: Fe Mo


species: Fe W


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Ni


species: Ni W


species: Ti Zn


species: Co Mo


species: Co Ti


species: Co W


species: Cu Fe


species: Cu Mn


species: Cu Ti


species: Fe Mn


species: Fe Ti


species: Mn W

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cl Nb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cl Mg

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: i i i

Wyckoff_letters: i a


species: Hg Ho


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cl Li

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Ta


species: Cs Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mg Rb


species: Mg Ta

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Pb Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Rb Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters: c e d


species: F Ta

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: Er O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b

Wyckoff_letters: b a


species: Dy Ho


species: Ho Tb


species: Eu Zn

species_pp: Eu Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Pb

crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pedial

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: Er Ho


species: Er Mn


species: Ce Co

species_pp: Ce Co

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ce Nd

species_pp: Ce Nd


species: Ce Sm


species: Cr Sm


species: Cu Gd


species: Dy Ni


species: Mn Pm

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nd Zn

species_pp: Nd Zn


species: Ni Yb


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Au Hf

crystal_class_orig: hexoctahedral


species: Co Os

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Hf W

crystal_class: ditetragonal-dipyramidal


species: La Nb

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Ti Zr


species: Ag V

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Nb Y

sg:
Immm #71
Immm #71
Immm #71


species: Hf Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb Ni

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Os Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ru Zn


species: Au Fe

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Sc Zn


species: Au Mn


species: Cu Pt


species: Mo Re

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Pd Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Os Ru

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co Rh

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Cr Er

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: c b

Wyckoff_letters: a g f j

Wyckoff_site_symmetries: mmm mmm

Wyckoff_site_symmetries: mmm mmm mmm 2mm

aflow_prototype_params_list_relax: a b/a c/a x6


Wyckoff_letters_orig: a a


species: Co I

species_pp: Co I

Wyckoff_letters_orig: b d h

Wyckoff_letters: b d h


species: I K

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: I Li

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


Wyckoff_letters: c e b m

Wyckoff_letters: d a


species: I Mg


species: I Ni


species: Be I


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c

Wyckoff_letters: c c c c


species: Cd I

species_pp: Cd I

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: I Pb

Wyckoff_letters: c c


species: Cd Re


species: Ni Sc


species: Ga I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cs I

Wyckoff_letters: a b


species: Hg Sc

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Ir Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pd Tc

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ag Cu

aflow_prototype_params_list_relax: a c/a


species: Fe Ru


species: Ho Zn

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn Nb

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c


species: Ag Mn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Hf La

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: I K

Wyckoff_letters_orig: a a


species: Os Ta


species: Y Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Ti

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: O Ti

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a


species: Cd Mn

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d