species: Nb Ti

Wyckoff_letters: a d


species: Ca F

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: MCLC


species: F V

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a c

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

Wyckoff_letters: c c c

Wyckoff_letters: a c


species: Cr Li

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: 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_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

aflow_prototype_params_list_relax: a c/a


species: Co Pt

species_pp: Co Pt

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

lattice_system_orig: cubic

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Li Si

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

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

Wyckoff_letters_orig: e e g f

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

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

Wyckoff_letters: e e g f


species: Ca Cu

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: O Zr

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: a d d

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: a d d


species: O W

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-pyramidal

point_group_type_orig: polar

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-pyramidal

point_group_type: polar

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT


species: N Zn

species_pp: N Zn

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c c c c c c c c c c d d

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c c c c c c c c c d d

Wyckoff_letters: c c


species: F Li

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

aflow_prototype_params_list_orig: a c/a z2


species: Cd Pr

species_pp: Cd Pr


species: Mg O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a b b


species: F Zn

species_pp: F Zn

aflow_prototype_params_list_relax: a c/a x2


species: O Sn

species_pp: O Sn


species: Cu Hf


species: Cd V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: K O

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Ca Co

aflow_prototype_params_list_orig: a c/a x2


species: Ir Sn

species_pp: Ir Sn


species: Ag Hg

species_pp: Ag Hg


species: Co O

species_pp: Co O


species: Au Gd

species_pp: Au Gd


species: Nb O

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

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

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e e

Wyckoff_letters: e e e

Wyckoff_site_symmetries: m m m m

Wyckoff_site_symmetries: m m m


species: Cd Ru

crystal_class_orig: dihexagonal-pyramidal


sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Pt Sc

Wyckoff_letters_orig: a d


species: C Ru

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Ni Zr

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

point_group_structure_orig: cyclic

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: a i i i i i i i i i i

Wyckoff_letters_orig: i i 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

reciprocal_lattice_type: TRI

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

Wyckoff_letters: i i i i


species: Cu F

Bravais_lattice_relax: MCLC

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m

Bravais_superlattice_lattice_type: MCLC

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: Ca Mn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co K

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Dy O

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


species: Ru Si

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: b c d e e i i i i

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

Wyckoff_letters: b c d e e i i i i


species: Cu K

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Ag Ge


species: Al Sm


species: Hf O

aflow_prototype_params_list_relax: a c/a z2


species: Co Li


species: Li Ni


species: F V

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: F Fe

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Fe O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: c f

Wyckoff_letters: c f f


species: Co W

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_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

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: O Tb


species: O Sc

Wyckoff_letters_orig: e e


species: Cr F


species: Cu I

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: S Zn

species_pp: S Zn

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

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


species: Pb S


species: Cd F

species_pp: Cd F

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: F Mn

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f

Wyckoff_letters: e e


species: I Ti


species: N V


species: Pb Te


species: O W


species: Mo Y


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Cs


Wyckoff_letters_orig: d d d

Wyckoff_letters_orig: c c d

Wyckoff_letters: d d d

Wyckoff_letters: c c d


species: Mn O

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: b b b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: b b b


species: Se Sn

species_pp: Se Sn

Wyckoff_letters: c g


Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Hg Ni

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Mg S

Wyckoff_letters_orig: a a


species: Ir O

species_pp: Ir O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c d


species: Ga Ir

Wyckoff_letters_orig: a e e e e

Wyckoff_letters: a e e e e


species: Ag Ir

species_pp: Ag Ir


species: Co F

species_pp: Co F

sg:
Pnma #62
Cmce #64
Cmce #64


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c


species: Cu Mg


species: Ca Tc


species: Ca K

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Al Ru

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Pb S

Wyckoff_letters_orig: e e


species: Cr O


species: Ca Cu


species: Os Ti


species: Ca Pb


species: Mg Pb


species: Pb Rb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Co Fe

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mn V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co W


species: Cr Mo


species: Cr Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu Mn


species: Ni Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Mo

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Co Ti


species: Cr Fe

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Cr Mn


species: Fe Mn


species: Mn Ti


species: Mn Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ti V

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: V W


species: Hg K

point_group_Schoenflies_orig: T

point_group_type_orig: enantiomorphic

point_group_structure_orig: alternating

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hg Rb


species: Ca Ta


species: K Rb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Nb


species: Mg Ta


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb Pb

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hg Li

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: F Pb


species: O Pb

crystal_class_orig: trigonal-trapezoidal


species: O Yb

species_pp: O Yb

Wyckoff_letters_orig: e g


species: Co Dy

Wyckoff_letters: c d e


species: Gd V


species: W Zn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: I Ta

Wyckoff_letters_orig: e e e e f f f f f f f

Wyckoff_letters_orig: f f f

Wyckoff_letters: e e e e f f f f f f f

Wyckoff_letters: f f f


species: Ce Cr

Egap_DOS_type: metal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ce Pr

species_pp: Ce Pr


species: Co Sm

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Gd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Dy Fe

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Er Eu


species: Nd Ni


species: Pr Sm


species: Pr V


species: Hg I

species_pp: Hg I

Egap_DOS_type: insulator

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ag I

species_pp: Ag I


species: I Zr

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

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i i i i i 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 Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr Pd


species: F V

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Hg V


species: La Ti

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: La Y

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Pd Tc


species: Au Ir

species_pp: Au Ir


species: Hf Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pd Ta


species: Cu La

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo Zr


species: Rh Sc


species: La Nb


species: Mo Rh


species: Pt Sc


species: Nb Pt


species: Cd Re


species: Ag Cu

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Rh Ti


species: Ru W


species: Al O

species_pp: Al O


species: Hf Mo


species: Os Sc


species: Fe Hg


species: Hf Pt


species: Fe Rh

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Co I

species_pp: Co I

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


species: Fe I


Egap_DOS_type: half-metal

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: d i i

Wyckoff_site_symmetries: 2/m m m


species: I K


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


crystal_class_orig: diploidal

crystal_class: diploidal


species: I Li

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Ni

Wyckoff_letters_orig: i i


species: Ge I


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i


species: Hg I


Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: I Pb

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: Fe Nb

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mo Tc


species: Nb Zr

crystal_class_orig: dihexagonal-dipyramidal


species: Cu I

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal

point_group_type: enantiomorphic


Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


species: I Zn

species_pp: I Zn


species: Hg La

species_pp: Hg La

crystal_class: hexoctahedral


species: Ag Hf

crystal_class: ditrigonal-scalahedral


species: Hg Ru

crystal_class: dihexagonal-dipyramidal


species: Mo Nb


species: Cr La

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Cr Nb


species: Re Ru


species: Fe O

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Hf Tc

crystal_class_orig: hexoctahedral


species: Hg Nb

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Mn Os

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Ta W

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nb Ta


species: Ta V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Hf Mo


species: Mo Zr


species: Nb Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ta Zr


species: Ag Cd

species_pp: Ag Cd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Pd


species: Ir Pd


species: Nb V

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Cmcm #63
Cmcm #63

aflow_prototype_params_list_relax: a b/a c/a y2


species: Cr Zr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ge Pt


species: K Mg

Wyckoff_letters_orig: e e


species: Ag Cr


species: La Mo

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd Ir

species_pp: Cd Ir


species: La Zr


species: Er Nd


species: Ir Re


species: Rh Ru


species: S Si

species_pp: S Si

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: monoclinic-prismatic


species: Cu Pm


species: Hf Pt


species: Cr Li


species: Fe Mo


species: Co O

species_pp: Co O

sg2:
Pnma #62
Pnma #62
Cmce #64


species: Fe Li


species: Ca Ni

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mg O

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: i i

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


species: Fe Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ti

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a


species: O Sr


species: F Fe

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: Ca Li


sg:
Pnma #62
Immm #71
Immm #71


species: Cu Sc


species: Au Cd

species_pp: Au Cd

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li O

Wyckoff_letters: e e


species: Pb Se


species: Cr K


species: Co K


species: O Ta


species: Bi I

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Tb

point_group_Schoenflies: T

point_group_structure: alternating


species: Cr Ni

Wyckoff_letters_orig: c i

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

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


species: Ho O

Wyckoff_letters_orig: f f f k

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters: f f f k

Wyckoff_letters: c d e f k k


species: Cu F

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: e b

aflow_prototype_params_list_relax: a b/a c/a alpha beta gamma


species: Li Ti


species: Al Si

species_pp: Al Si


species: Hg W


species: Cr W


species: I Tc


species: Dy Ir

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Se Zn

species_pp: Se Zn

Wyckoff_letters_orig: i i i i


species: O Ti

crystal_class_orig: orthorhombic-pyramidal


species: Fe Li

Wyckoff_letters_orig: b e

Wyckoff_letters: b d


species: Co Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg Tc

Wyckoff_letters: c e d


species: As Zn

species_pp: As Zn


species: Co Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Au Sc


Wyckoff_letters: c h

Wyckoff_letters: d h


species: Fe Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Se


species: Cr Mn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: I Ti

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: Pb S

Wyckoff_letters_orig: i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: O W

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Ni O

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c


species: Ca Fe


species: Cd Cs

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: O Sn


species: I Mn

sg:
Cmce #64
Pmma #51
Pmma #51

sg2:
Cmce #64
Cmce #64
Pmma #51


species: Pb Te

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ge Te

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Cu F

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


crystal_class_orig: monoclinic-prismatic


species: Au V


species: Mo Y


species: Cd Zn

species_pp: Cd Zn


species: Li Pb

Wyckoff_letters_orig: e e e e f g i

Wyckoff_letters: e e e e f g i


species: Fe O

Wyckoff_letters_orig: d c

Wyckoff_letters: c d


species: Li O


species: Ag Bi


species: F Si

species_pp: F Si

crystal_class_orig: ditrigonal-scalahedral

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

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


species: Nb O


species: O W

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Au Pd


Wyckoff_letters: c c c


species: F Mn


species: O Ti


species: F Sn

species_pp: F Sn


Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: Si Ta

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g g


species: Ca F


species: Mg S

crystal_class: hexoctahedral


species: F V

crystal_class_orig: rhombohedral

crystal_class: ditrigonal-scalahedral


species: Se Y


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c d

Wyckoff_letters: a b d

Wyckoff_letters: a c d


species: Cr F

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c k

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b f


Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


species: Br Ta


species: I Tc

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a


species: F Fe

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

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: Fe I


species: O Pd

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c e j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c e j


species: O Pt

species_pp: O Pt


species: Ni O

crystal_class_orig: diploidal

Wyckoff_letters_orig: a d

crystal_class: diploidal

Wyckoff_letters: a d


species: Ca Ni

sg:
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: O Sr

sg:
Pbcn #60
Cmce #64
Cmce #64

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: I Mg


species: Ce O

species_pp: Ce O

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: I V

Wyckoff_letters_orig: e e


species: Cu Mg


species: Ca Cl

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: c a


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: a g f j

Wyckoff_letters: c b

Wyckoff_site_symmetries: mmm mmm mmm 2mm

Wyckoff_site_symmetries: mmm mmm

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


species: O Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Li

crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: I Mn

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Nb O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu Ho

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Mg N

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ca Tc


species: Ir W

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mn O


species: O Pb


species: In P


species: Li Tc

sg:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters: a e


species: O Sr

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


species: Li O


species: O Tc


Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Au Mo

sg:
Pnma #62
Pnma #62
Pnma #62


species: La Se

species_pp: La Se


species: Mo N


species: Co K

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Cu F


species: Hf N


species: F Ti


species: Co Fe

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Zn


species: Al Tb

Wyckoff_letters: c c


species: Mo Ni


species: V W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Re

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: La Tc

Wyckoff_letters_orig: c c


species: Nb O


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: a i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Cu Mo

Wyckoff_letters_orig: b f


species: Co Cu


species: Cr Cu

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal


species: Cr Fe


species: Cr Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d


species: Cu V


species: Cu Zn


species: Fe Ti


species: Fe V


species: Mn Mo


species: Ni Ti


species: Ti W

Wyckoff_letters_orig: a e


species: Co Ti


species: Co W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Ti

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Fe Ni


species: Fe W

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Ni W


species: Ni Zn

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cl Ta


species: F Pb

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Hg Mn


species: Hg Se

species_pp: Hg Se

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Hg Ho


species: Hg In


species: Hg K


species: Hg Rb


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca Cs


species: Ca Rb

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: K Ta


species: Mg Ta

Wyckoff_letters: a b


species: Pb Ta


species: Rb Ta


species: Cl Pb


species: F Nb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cl Nb

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h

Wyckoff_letters: i i i j j j

Wyckoff_letters: a d g h


species: Al O

species_pp: Al O


species: Cu Eu


species: Nd Pr

species_pp: Nd Pr


species: Cl K


species: Ca F

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a


species: Ce Pr

species_pp: Ce Pr


species: Ce V


species: Co Ho


species: Cr Ho


species: Cu Yb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Er Ti


species: Eu Ni


species: Fe Pm


species: Tb Ti


species: Tb Zn


species: Al I

species_pp: Al I

crystal_class_orig: monoclinic-prismatic


species: I Pb


crystal_class_orig: ditrigonal-scalahedral


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ge I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Rb


species: Ag Pd


species: Cr Rh

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cu Pd

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Ta


species: Hg Y

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Re Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Gd

species_pp: Co Gd


species: Fe Ta


species: Ir Pt

species_pp: Ir Pt


species: Hf Ru


species: Ir Rh

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: La Zr

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Os Pd


species: Ru Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: La Rh

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ru Zr


species: Al O


species: Au Os


species: Eu Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ir V


species: Os V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Nb Pd


species: Fe Re


species: Co I

species_pp: Co I

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a


species: Cr I


Wyckoff_letters_orig: b c

crystal_class: hexagonal-trapezoidal


species: Fe I


species: I K

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e


crystal_class: hexoctahedral


sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: I Li

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


species: I Mg

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g l

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g l


Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: I Ni

Wyckoff_letters_orig: n m

crystal_class: orthorhombic-bipyramidal


species: Be I

Wyckoff_letters_orig: a a a b b

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

Wyckoff_letters: a a a b b

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


species: Ba I

crystal_class: ditrigonal-scalahedral


species: I Pb

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c c c c c c c c c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c c c c c c c c c c

Wyckoff_letters: c c c


species: Ho Ni

crystal_class: ditetragonal-dipyramidal


species: Pt V


species: Cu I

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ga I

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ag Ti


species: Co Ru


species: Fe Hf


species: Hg Mo

crystal_class_orig: ditetragonal-dipyramidal


species: Rh Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au Cu

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Sc Ti


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nb Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Si

species_pp: O Si

Wyckoff_letters_orig: g g


species: Ag Zn

species_pp: Ag Zn


species: Fe Os


species: Sc Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Y Zr


species: Hg W


species: Cu Os

crystal_class_orig: hexoctahedral


species: Mo Nb

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mo Se


species: F Nb


species: La Tc


species: Cd Mn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Re V


species: Rh Ti

crystal_class: monoclinic-prismatic


species: Rh W

sg:
Immm #71
Immm #71
Immm #71


species: Fe Tc


species: Hf Pd


species: Fe O

sg:
Pmm2 #25
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: a d f

Wyckoff_letters: e e f

Wyckoff_letters: a d f


species: Ge Zr

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: g g g


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Cr F

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a


species: Mn Zr

Wyckoff_letters_orig: a d


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ni O


species: Au Mo


species: Cd F


species: O W

Wyckoff_letters_orig: a e f

Wyckoff_letters: c e f


sg2:
Pnma #62
Pnma #62
Cm #8

Wyckoff_letters_orig: c d


species: Hf Pt

Wyckoff_letters: a d


species: F Sr

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Zn


species: Al Co

species_pp: Al Co

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

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

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

Wyckoff_letters: g g g g h


species: Co O

species_pp: Co O

Wyckoff_letters: c c c


species: Ca Li


species: Ir Zr

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ag Rh

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Au Y

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a b

Wyckoff_letters: a a b c e


species: K O

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

crystal_class: monoclinic-domatic


species: Ag Bi


species: I Nb

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: O Sn

species_pp: O Sn


species: O Tc


species: Li Tc

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ni O

Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: Li Mg


species: Ge H


species: Cr Nb

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Br Sb

species_pp: Br Sb

Wyckoff_letters_orig: e i

Wyckoff_letters: e i


species: S Sn

species_pp: S Sn

crystal_class_orig: trigonal-pyramidal


species: F Mg

sg:
Pnma #62
Cmce #64
Cmce #64


species: F Ni

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: O Tb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Tb

Wyckoff_letters_orig: a e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: a e e e

Wyckoff_letters: e e e e e e


species: Hf Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe V


species: Fe O

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Mn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cu Ir

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: K Rh

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Ti

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


species: O Sr


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Al Pd


species: Co Fe


species: Co Li

crystal_class_orig: ditrigonal-dipyramidal


species: La V


species: Br Ca

Wyckoff_letters_orig: m n


species: Ni Sc


species: O Yb

species_pp: O Yb


species: O Pt

species_pp: O Pt


species: Pd Rh

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: C Ru


species: Mn Os


species: O Ta

Wyckoff_letters_orig: c c

Wyckoff_letters: c h


species: Co K


species: Ca Co


species: Fe Ta

sg2:
Immm #71
Immm #71
Immm #71


species: Hg W


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: j j


species: Sb Te

species_pp: Sb Te

Wyckoff_letters_orig: a c i i

Wyckoff_letters: a c i i


species: I Ta

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: O Sn

crystal_class_orig: triclinic-pedial

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

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

crystal_class: triclinic-pedial

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


species: O V

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: a a a a c b d d

crystal_class: trigonal-pyramidal

Wyckoff_letters: d d d d d d

Wyckoff_letters: a a a a c b d d


species: Ni O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Fe P

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c c d e

Wyckoff_letters_orig: a b e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c c d e

Wyckoff_letters: a b e


species: O Tc


species: Mn O

Wyckoff_letters_orig: a c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c


species: Ti Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ca O


species: Co S

species_pp: Co S

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c e

Wyckoff_letters: a f


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: I V

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Cr Li

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ni V


species: O W

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h i

Wyckoff_letters_orig: g h

Wyckoff_letters: g h i

Wyckoff_letters: g h


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: d a


species: O Zr

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: c i

Wyckoff_letters: d i


species: F Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: B Si

crystal_class: hexoctahedral


Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Ru V


species: Fe O

Wyckoff_letters_orig: a c


species: Li O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


species: Cl Li


species: Mg S


species: Cr Ni

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: C Re


species: I Mn

crystal_class_orig: orthorhombic-bipyramidal


species: I Tc

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Ca Ni


species: Mn O

sg2:
Pmm2 #25
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c f

Wyckoff_letters: a l

Wyckoff_letters: d k


species: Fe Os

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Hf Sb

Wyckoff_letters: c f


species: Cd O

species_pp: Cd O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a b b


crystal_class: dihexagonal-dipyramidal


species: Ca F

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f f f


species: Al Nb


species: I Zn

species_pp: I Zn


species: Ge Hf

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

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


species: Sn Te

species_pp: Sn Te

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: h h

crystal_class: tetragonal-scalenoidal


species: Li Mn


species: F Fe

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: Ir O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: I Ni

crystal_class: ditrigonal-scalahedral


species: Te Zn

species_pp: Te Zn

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: tetrahedral


species: Fe Mg

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Mg

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b d


species: Ni O

Wyckoff_letters_orig: a e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e


Wyckoff_letters_orig: a e i

Wyckoff_letters: d b i


species: As Sr

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_letters: b b

Wyckoff_letters: a b


species: Br N

species_pp: Br N

Wyckoff_letters_orig: f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: f f


species: H V

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: d i

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: d i


species: Co F

species_pp: Co F

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: H Pd


species: Cu Mg

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: O Zr

Wyckoff_letters: i f i


species: Hf S


species: Nb O

Wyckoff_letters_orig: c d


species: K O

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Sc


species: O Ti


species: O Re

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: Ni V


species: Cu K


species: F Ti


species: Cr Ni


species: Li Zn


species: O W

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: F Ni

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O V


species: O Ru

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Ca Cr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Pb

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Mg Nb


species: O Ta


species: Co Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Cu


species: Cr Mo


species: Cr W


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Mo


species: Cu Ni


species: Cu Ti


species: Fe Ti


species: Fe V


species: Fe W


Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Mn Mo


species: Mn Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: V W


species: Co Cr


species: Co Mo


sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Cr Fe


species: Fe Mn


species: Mn W


species: Ti V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg K

Wyckoff_letters: c d


species: Hg Li


species: Hg Mg


species: Hg S

species_pp: Hg S


species: Cs Rb


species: K Rb


species: K Ta

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ca Cs


species: Nb Pb

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cl Nb

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


species: O Pb

sg:
Pnma #62
Pnma #62
Pnma #62


species: F Pb

Wyckoff_letters_orig: g h j k n

Wyckoff_letters: g h j k n


species: O Sm

crystal_class_orig: ditetragonal-pyramidal


species: O Yb

Wyckoff_letters_orig: a b


species: Dy Er


species: Co Gd

species_pp: Co Gd


species: Ho Zn


species: Fe Yb


species: Cr Pr


species: Eu Ni


species: Ho Pm


species: Pm V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I In


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: I Zr

crystal_class_orig: triclinic-pinacoidal

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

crystal_class: triclinic-pinacoidal

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


species: Ag Co

species_pp: Ag Co


species: Ag Y


species: Au Ta

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hf Os


species: Ir Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mo Rh

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu Rh


species: Fe Nb


species: Hf W


species: Pt Y


species: Ta Zr


species: Ag La

species_pp: Ag La

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Pt Ti

Wyckoff_letters: a c


species: Cd Rh

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pt Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ru Sc

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ta Y


species: Cd W


species: N Ta

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ru Zr


species: Ta Ti


species: Mg O


species: Au La

species_pp: Au La

Wyckoff_letters_orig: a c


species: Co Ta

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Nb Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca I

crystal_class_orig: diploidal


species: Co I

species_pp: Co I

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


sg2:
Pbca #61
Pbca #61
Pbca #61


species: I K

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: I Li


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Mg

crystal_class_orig: monoclinic-prismatic


species: I Ni

crystal_class: dihexagonal-pyramidal


species: Be I


species: I In

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hg I

species_pp: Hg I


Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n

Wyckoff_letters: d a


sg:
Pma2 #28
Pmma #51
Pmma #51


species: I Pb

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Ag Y

crystal_class_orig: dihexagonal-dipyramidal


species: Au Tc

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: C Sc


species: Fe Re


species: Rh W


species: Y Zn


species: I Zn

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: Cs I

Wyckoff_letters_orig: e e


species: Cu Re


species: Lu O

species_pp: Lu O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Re Ta

crystal_class_orig: ditrigonal-scalahedral


species: Mo Ta


species: Ni Re

crystal_class: diploidal


species: Re Rh


species: Cr La

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Ni


species: Cr I


species: Cu Ta

crystal_class: hexoctahedral


species: Ir Ta

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pd Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Rh V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Br Sr


species: Ag O


species: Hf Ta

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Au Rh

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


Wyckoff_letters_orig: a f


species: Cd Nb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Rh Tc


species: La Nb


species: Cd Ti


species: Os Zr


species: Hf Re


species: Hg Rh


species: Co F

Wyckoff_letters_orig: m n

Wyckoff_letters: m n


species: Ca Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: F Ti

Wyckoff_letters_orig: c d d d

Wyckoff_letters_orig: a b d

Wyckoff_letters: c d d d

Wyckoff_letters: a b d


species: Li O

sg:
Ama2 #40
Cccm #66
Cccm #66

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca O


species: Fe K


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ca Ti


species: Ru Zn


species: Mn Te


species: Ca Li


species: Ca Cu


species: I Ta


species: Cu Te


species: I Ti

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ca K


species: Mg O

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: O Ru


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Sn

species_pp: O Sn

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: g e n

Wyckoff_letters_orig: h f n

Wyckoff_letters: g e n

Wyckoff_letters: h f n


species: Cu Mg

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Pt Y


species: Mo W

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mn O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a


species: Ca Cr


species: Hf O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu F

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e


species: Co Li

crystal_class: dihexagonal-dipyramidal


species: Ca Hg

Wyckoff_letters_orig: e i

Wyckoff_letters_orig: e e e f g i

Wyckoff_letters: e i

Wyckoff_letters: e e e f g i


species: F Ti


species: Mg Si

crystal_class_orig: triclinic-pedial

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

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

crystal_class: triclinic-pedial

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

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


species: Ni O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b


species: Cr F

Wyckoff_letters: a a


species: Pd Y

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral


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: I Nb


species: Dy O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Mg


species: Mo Sc


species: F V

sg:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a

Wyckoff_site_symmetries: m m m m m m


species: Cr O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Wyckoff_letters: d h

Wyckoff_letters: g h


species: Ca Li

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Fe H

Wyckoff_letters_orig: c e g

Wyckoff_letters: c e g


species: Co K

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Sc V


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Cu 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

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i

Wyckoff_site_symmetries: 2/m m m m m


species: Ir Y

crystal_class_orig: hexoctahedral


species: Ca Zn


species: Fe Mg


species: O W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb W


species: Fe W


species: I Ti


species: Bi O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


species: Cr W

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Nb Ru


species: Ba Cl

Wyckoff_letters_orig: a b


species: Dy Sn

Wyckoff_letters_orig: a e f

Wyckoff_letters_orig: b e e e f f f

Wyckoff_letters: a e f

Wyckoff_letters: b e e e f f f


species: Pd Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Ta

crystal_class_orig: tetrahedral

Wyckoff_letters: a b b


species: Tc Zr


species: Fe Rh


species: Cr Hf


species: Cr Li


species: O Tc


species: Al N

species_pp: Al N

crystal_class_orig: dihexagonal-pyramidal


species: K Mg


species: O W

Wyckoff_letters_orig: a b c e

Wyckoff_letters: a b c e


species: Ca V


species: Ni O


species: O Sr

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Ti

Wyckoff_letters_orig: e e


species: Cr O


species: H W


species: Ag Rh


species: F Rb


species: Pt Zn

species_pp: Pt Zn


species: Mn O

Wyckoff_letters_orig: h k

Wyckoff_letters: a b

Wyckoff_letters: h k


species: Ca Cr


species: Pb Se

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_letters: g i

Wyckoff_letters: i i j


species: Mg O

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Fe K


species: Ca Li


species: Pd W

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Li Ni


species: Ca Fe


species: B Li

Wyckoff_letters_orig: n o p

Wyckoff_letters: n o p


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca O


species: Se Tb


species: La Tc

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Au F

species_pp: Au F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Tb

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: d c e f k k

Wyckoff_letters: f f f k


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: c c c

Wyckoff_letters: a c

Wyckoff_letters: c c c


species: Cd Cs


Wyckoff_letters: b c


species: O W

Wyckoff_letters_orig: a b


species: Li Ti


species: Co Mn

Wyckoff_letters_orig: a c


species: O Sr


species: Cd Ti


species: F Zn

species_pp: F Zn


species: Cr Nb


species: Nb O


species: Fe Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Pb


species: K O

Wyckoff_letters_orig: a a

Wyckoff_letters: c a

Wyckoff_letters: c b


species: Cr O


species: Co Mg

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: Cd O

species_pp: Cd O


species: Bi Ti


species: Mn O


Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: f h

Wyckoff_letters_orig: b c

Wyckoff_letters: f h


Wyckoff_letters_orig: n m


species: F Tl


species: I Tc


species: N Se

species_pp: N Se

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: f f

Wyckoff_letters: e e f

Wyckoff_letters: f f


species: Mg Nb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mg Pb


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo W


species: Co Ni


species: Co W

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cr Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cu Fe


species: Cu Ni

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu W


species: Fe V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Ni


species: Mo Ti


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ti W


species: V W

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Co Cu

Wyckoff_letters: a b


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Ni


species: Ni Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ni W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ni Zn


species: Ti V


species: F Mg


species: Cl Mg


species: Hg Pt

species_pp: Hg Pt


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: c i

Wyckoff_letters: b e


species: Hg Ho

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Li


species: Hg Rb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg Yb

species_pp: Hg Yb


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: e e e e


species: Cl Nb


species: F Nb


species: Mg Ta


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Nb Rb

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cl Pb

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Cl Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ho O


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Sm


species: Cr Gd


species: Cu Pr


species: Er Ti


species: Pm Sm


species: Cr Nd


species: Ce Ti


species: Co Ho

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Yb

species_pp: Co Yb


species: Cr Tb


species: Dy Pm


species: Er V


species: Er Zn


species: Fe Pm


species: Gd Zn

species_pp: Gd Zn


species: Yb Zn

species_pp: Yb Zn


species: I Pb


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Cu Mn


species: Mo Pt

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ni Tc

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Os Ti


species: Sc V


species: Ni Pt


species: Au Mn


species: Ag Pd

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cu Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Tc Y


species: V Zr

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ta Tc


species: Pd W

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Re Zn


species: Ag Y


species: Cd Sc

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Tb


species: Ir Y

crystal_class_orig: diploidal


species: Ca I

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: Cr I

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: I K


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


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a b


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I Ni

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Be I

sg:
Pbcn #60
Pbcn #60
Pmna #53

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: I Si

species_pp: I Si


species: I Zr


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c d d d d

Wyckoff_letters: a c d

Wyckoff_letters: c d d d d


species: I In

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a


species: Hg I

species_pp: Hg I


species: I Pb

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Hf Hg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu I


species: I Zn

species_pp: I Zn

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c


Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b d f

Wyckoff_letters: e d


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g


species: Cs I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cd Tc


species: Eu O

species_pp: Eu O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c e j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c e j


species: Hg Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ru Tc

Wyckoff_letters_orig: a b


species: Gd V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb Ru

crystal_class: diploidal


species: Os Re

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Sc Zn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co Rh


species: Hf Mn

Wyckoff_letters_orig: b c

crystal_class: hexoctahedral

Wyckoff_letters: b c


species: Sc W

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Hf V

crystal_class: ditrigonal-scalahedral


species: Ni Os

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ti Zr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Hf Ti

Wyckoff_letters_orig: a d


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Nb V


species: Ta Ti


species: Cr Tc


species: Mg Si


species: La Os

crystal_class: tetrahedral


species: Cr Ta

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Hg Y


species: Pd Pt


species: Re Sc

Wyckoff_letters_orig: b d


species: Hg Ru


species: Mg S

crystal_class_orig: ditetragonal-pyramidal


species: Rh Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Fe O

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57


species: Co F

species_pp: Co F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: B Rh

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: Cu V

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Dy N

Wyckoff_letters: a d


species: F Rb


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cd O

species_pp: Cd O


species: O Tc

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b


species: Ca Mn

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

crystal_class: ditetragonal-dipyramidal


species: Cr Ti

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Y Zn

crystal_class_orig: hexoctahedral


species: N Pd


species: Au Zn

species_pp: Au Zn

crystal_class: orthorhombic-bipyramidal


species: Mn O


species: P Zn

species_pp: P Zn

Wyckoff_letters_orig: c d f

Wyckoff_letters_orig: g g g

Wyckoff_letters: c d f

Wyckoff_letters: g g g


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a d g h


species: Cu F

crystal_class_orig: tetrahedral


species: Pr Si

species_pp: Pr Si

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


species: Cl Pt

species_pp: Cl Pt

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Eu Zn

species_pp: Eu Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ni O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: S Y


species: Cd Co

species_pp: Cd Co


species: Nb Ti


species: Ca Li


species: Fe La


species: Pd Sn

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Tc


species: I Tc


species: Cr F

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: O Zr

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ca Tc


species: Sc V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ca Zn


species: F Ni


species: Co Nb


species: Hg Tc


species: Hg Ta

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hf La


species: Fe Li


species: Ca V


sg:
Pccn #56
Pccn #56
Ibam #72

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: F Mn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Ni Sn

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: In O

sg:
Pbcn #60
Pbcn #60
Pbcn #60


species: Ca Cu

Wyckoff_letters: c d e


species: Cr O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co F

Wyckoff_letters_orig: a a


species: C Mg

sg2:
Pnma #62
Pnma #62
Imm2 #44


species: I Ni


species: O Sn


species: I Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: n n

Wyckoff_letters: c b e


species: O Rh


species: Xe Y


species: I K


species: Ca K

Wyckoff_letters: a d


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni O

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Cd O


species: Nb Re

sg:
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: S Sn

species_pp: S Sn


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c c c b b b b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c c b b b b


species: O Tb

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: b c


species: Ca Tc


species: Co O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: F Mn


species: F Fe


species: Ag Bi


species: Hg Nb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: F Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: O Sn


species: Cl Eu

species_pp: Cl Eu

Wyckoff_letters: c c


species: Cd Ru

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Re

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Hf O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: V Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd Y


species: Nb S

Wyckoff_letters_orig: a h h h h h

Wyckoff_letters_orig: h h

Wyckoff_letters: a h h h h h

Wyckoff_letters: h h


species: Ag Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li Mg


species: La Ni


species: O Tl

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe W


species: Au F

species_pp: Au F

crystal_class_orig: triclinic-pinacoidal


species: Rh Y


species: I Tc

crystal_class_orig: diploidal


species: F Ni


species: Pt Ta


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c


species: Cr Os

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb Si

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb O

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: O W

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

Wyckoff_letters_orig: g g g g

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

Wyckoff_letters: g g g g


species: Co Li


species: S Zn

species_pp: S Zn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a b b b

Wyckoff_letters: a a b b b


species: Cr Te


species: Co Mn


species: Co F


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: O Tc

Wyckoff_letters_orig: a a


species: Li O

crystal_class_orig: tetragonal-dipyramidal


species: F Tl


species: Mn O

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: d c


species: Ca Ti

crystal_class_orig: dihexagonal-dipyramidal


species: F Sr

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Cu Mg

crystal_class_orig: orthorhombic-bipyramidal


species: Ge Se

sg:
Pbcn #60
Ibam #72
Ibam #72


species: In O

Wyckoff_letters: a b


species: O V

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Ca Mg

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Fe O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g j

Wyckoff_letters: g h

Wyckoff_letters: g j


species: Nb O


species: K Li


species: Fe Hf

crystal_class_orig: hexoctahedral


species: Fe Ru


species: Li Mg


species: C Y

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Zr

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c c c

Wyckoff_letters: a b c c c


species: Mg O

Wyckoff_letters: a a


species: Mn P

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g g


species: Rh W

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: I 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: I Ta

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Ca Pb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Li Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: O Ta

Wyckoff_letters_orig: c c g g

Wyckoff_letters_orig: a c

Wyckoff_letters: c c g g

Wyckoff_letters: a c


species: Cr Fe

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn Zn


species: Co Fe

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Mn


species: Co Mo


species: Co Ni


species: Co Ti

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Co V


species: Cr Mo

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Cr W


species: Cu Mn

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu W


species: Fe Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Mn Ni


species: Ni W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ti W


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: V W

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cu V


species: Fe Mn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Mo Zn


species: Co W

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: O Pb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a c d

Wyckoff_letters: a c d


species: Hg Li


species: Hg Ho


species: Hg In


species: Hg K


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


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Rb


species: Cs Mg


species: K Rb

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Li Rb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Sm


species: Mn Nd


species: Mn W


species: Ce Co

species_pp: Ce Co


species: Eu Mn


species: Er Fe


species: Ho Mn


species: Ce Cu


species: Mo Zn


species: Ce Ni


species: Ce V


species: Eu Pm

species_pp: Eu Pm


species: Fe Pr


species: Hf Ta


species: Ho Sm


species: Mn Sm


species: Pm Pr

species_pp: Pm Pr


species: Sm Ti


species: Cs I


species: I Pb


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


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: Fe Zr


species: Pd Y


species: Os Zn

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Sc Tc

Wyckoff_letters_orig: b e

Wyckoff_letters: b c


species: La Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Pb


species: Hg La

species_pp: Hg La


species: Ni Sc

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Mn Rh

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf V


species: Nb Y


species: Cd Cr


species: Fe Ir

Wyckoff_letters: b e


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Zn Zr


species: Ca I

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: e e


Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: a d c

Wyckoff_letters: c h


species: Co I

species_pp: Co I


species: Cr I

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: Fe I


species: I Li

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

Wyckoff_letters: a d g h


species: I Mg

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


Wyckoff_letters_orig: j j

Wyckoff_letters: j j


Wyckoff_letters_orig: b c


species: I Ni


species: Be I


species: I Zr

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Ag I

species_pp: Ag I


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: I In

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: I Sn

species_pp: I Sn


species: I Pb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Nb Os

crystal_class: hexoctahedral


species: Re Tc


species: Ta Y

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: W Y

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cu I

crystal_class: ditrigonal-scalahedral


crystal_class: ditetragonal-dipyramidal


species: I Zn

species_pp: I Zn


Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd Re

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Re


species: O Sr

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cr Sc

crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ag Pd

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd Cr


species: Ni Re


species: Pt V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Er Ti


species: Hg La


species: Pd Sc

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cu Rh

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ir Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe Ru


species: Hf Ta

crystal_class_orig: diploidal

crystal_class: diploidal


species: Mo Nb

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Ta Ti


species: Hf Ti

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb Ta


species: Ta V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ir Pt

species_pp: Ir Pt


species: Cd Os

crystal_class_orig: ditrigonal-scalahedral


species: Co Hf


species: Tc Zn

crystal_class_orig: tetrahedral


species: Ru Ta


species: Ti Y


species: Ir Ni

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Pd Zr


species: La Rh

crystal_class_orig: dihexagonal-pyramidal


species: I V

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Ca Co


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O Pb

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Lu P

species_pp: Lu P


species: O Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g


species: I Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Mn

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Ni Zr


species: Mn Y


species: Ca Mn


species: Fe S

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Mg O

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Sn Te

species_pp: Sn Te


species: O Sn

species_pp: O Sn

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: O Si

species_pp: O Si

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Li Ni


species: Li Tc

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ni O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a c


species: Os W


species: Cs Pb

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Sr

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: La Os


Wyckoff_letters_orig: a b


species: O Rh

crystal_class: ditrigonal-dipyramidal


species: O V

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mg Ni


species: Fe O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: I Tc


species: Ir Ni

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: I Zn


species: Fe Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu O

crystal_class_orig: trigonal-pyramidal


species: O Zn

species_pp: O Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a


species: Ge Ni


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Ni

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Ru

Wyckoff_letters: b d


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Mg O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i


species: Mn Ni


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: O Re

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: a e f f f


species: Sc Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Ta

Wyckoff_letters_orig: e e f f

Wyckoff_letters_orig: e e f

Wyckoff_letters: e e f f

Wyckoff_letters: e e f


species: O Ti

crystal_class_orig: monoclinic-domatic

Wyckoff_letters: a a


species: Ru Sc


species: Li Si

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a c c c c c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a c c c c c c

Wyckoff_letters: c c c


species: Mo Os

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O V

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: g c


species: Ni O

Wyckoff_letters_orig: a a


species: Ir P

species_pp: Ir P


species: C H

species_pp: C H

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Cu W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: N Nb

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca O

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Tc Y

sg:
Pmma #51
Pmma #51
Pmma #51

crystal_class_orig: orthorhombic-bipyramidal


species: Fe Li


species: Fe O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: e e f f f

Wyckoff_letters_orig: e e f f f f

Wyckoff_letters: e e f f f

Wyckoff_letters: e e f f f f


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Mg O

sg:
Imm2 #44
Immm #71
Immm #71

sg2:
Imm2 #44
Immm #71
Immm #71

Wyckoff_letters_orig: a c c

Wyckoff_letters: a f e

Wyckoff_letters: c e f


species: Cr O


species: Cr Li

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb W


species: V Zr


species: Hg O

species_pp: Hg O

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Cr Y


species: O V


species: I V


species: Ca F

Wyckoff_letters_orig: e e e e

Wyckoff_letters: c c


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Nb


species: O Y

crystal_class_orig: ditrigonal-scalahedral


species: Cu K

sg:
Pnma #62
Pmmn #59
Pmmn #59


species: Li V

crystal_class_orig: hexoctahedral


species: V W


species: Cu Mg

Wyckoff_letters: e e


species: Mn O

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: g g


species: Pd Rh


species: Cr Pd


species: As O

species_pp: As O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: O Zr


species: Li Mg


species: Hf Sb

Wyckoff_letters_orig: c g g

Wyckoff_letters: c g g


species: K Mg

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Mo N


species: Ag Os

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: I K


species: Pd Pt

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: I Li


species: Ag Fe

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Tc

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Bi I


species: Co O


species: Au Ti


species: Ca Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Sn Te


species: F Mn

Wyckoff_letters_orig: a e i

Wyckoff_letters: c b i


species: Ru Sc


species: Cu Li


species: Te Zr

Wyckoff_letters_orig: a h


species: Cr O

Wyckoff_letters: e a


species: O Pr

species_pp: O Pr

sg2:
Pnma #62
Immm #71
Immm #71


species: Ca Li


species: Cd O

Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: d a


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

Wyckoff_letters_orig: a b l

Wyckoff_letters: a b l

Wyckoff_site_symmetries: mmm mmm 2mm

aflow_prototype_params_list_relax: a b/a c/a x4


species: Ag Pd

crystal_class_orig: diploidal


species: Ag Er


species: Ni Pb

aflow_prototype_params_list_relax: a c/a


species: Li Ni

Wyckoff_letters: c d e


species: Mn O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: O Sn


species: Au Zr


species: Ca Ni


species: Co La

species_pp: Co La

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Y

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca K


species: Br K


species: O Sc

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Ba S


species: F Fe

Wyckoff_letters_orig: e e e

Wyckoff_letters: f e


species: I Ta

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

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-pyramidal

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

Wyckoff_letters: a a a a a


species: Pb Se

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Pb Te


species: La Re

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au Pd

crystal_class: hexoctahedral


species: V W

aflow_prototype_params_list_relax: a c/a x2


species: Cr K

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ti Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hf Mn

Wyckoff_letters_orig: c d e


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b c


species: B Pr

Wyckoff_letters_orig: e h j

Wyckoff_letters: e h j


Wyckoff_letters: c d e


species: O Ti


species: O Ta

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co F

species_pp: Co F

crystal_class_orig: monoclinic-prismatic


species: Cr Li


species: Co Rh


species: F Ni

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ta Ti

crystal_class: dihexagonal-dipyramidal


species: Mn O

crystal_class: ditetragonal-dipyramidal


species: Ag Pd


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


Wyckoff_letters: c e d


species: K Pb


species: Mg Nb


species: I Ta


species: Mn V


species: Co Cr

Wyckoff_letters_orig: c d


species: Cr Ti


species: Cu Mn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Mo


species: Fe Mo

Wyckoff_letters_orig: b f


species: Fe V


species: Mn Ni


species: Mo Ni


species: Ti V


species: V Zn

crystal_class: ditrigonal-scalahedral


species: Co Cu


species: Co Ti

crystal_class: orthorhombic-bipyramidal


species: Cu Fe


species: Cu Ni


species: Cu Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Zn

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Fe Mn


species: Fe Ti


species: Mn Mo


species: Mn Zn


species: Mo Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ni Zn


species: Cl Mg

Wyckoff_letters_orig: a a

crystal_class: diploidal


species: Hg Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Rb

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


species: Hg Tl


species: Hg Li


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a c

Wyckoff_letters: a c

aflow_prototype_params_list_relax: a c/a x3


species: Ca Nb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca Rb


species: Cs K


species: Cs Rb


species: K Nb


Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_relax: a c/a z3


species: Cl 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

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


species: Cl Nb

Wyckoff_letters_orig: c d d d

Wyckoff_letters_orig: a b d

Wyckoff_letters: c d d d

Wyckoff_letters: a b d


species: O Yb

species_pp: O Yb

crystal_class_orig: tetragonal-scalenoidal


species: Cu Dy


species: Er Ni


species: Cu Tb


species: Nd Ti

aflow_prototype_params_list_relax: a c/a z2


species: Cr Er


species: Ho Ni


species: Ho Mn


species: Cl Mg

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


species: Co Ho


species: Ce V


species: Dy Mn


species: Dy Ni

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Fe Tb


species: Ho V


species: Ho Zn


species: Mn Sm

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Tb V


species: I Ni

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

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


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ge I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sb

species_pp: I Sb


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Hg Os

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Zn Zr


species: Hf Tc

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Os Ti

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cu Os

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pd V


species: Au Ta

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters: c c


species: Co Pd

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ir Sc


species: Mn Nb


species: Ni Ru


species: Co Y

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Mn Sc

crystal_class: tetrahedral


species: Ag Co

species_pp: Ag Co

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Au Co

species_pp: Au Co

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni Rh


species: Cd Cu


species: Ca I


species: Co I

species_pp: Co I

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

crystal_class: monoclinic-prismatic

Wyckoff_letters: c b e m

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


species: Fe I

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


Wyckoff_letters_orig: c c


species: I K

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Li

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c c c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c c c


species: I Mg


Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: I Zr


Wyckoff_letters_orig: a f


sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I In


species: I Sn

Wyckoff_letters_orig: c d d d

Wyckoff_letters_orig: a b d

Wyckoff_letters: c d d d

Wyckoff_letters: a b d


species: I Sb


species: Ba I


species: Hg I

species_pp: Hg I


species: I Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cu I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


species: Cs I

Wyckoff_letters_orig: b a


species: Ta Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe O

Wyckoff_letters_orig: e f


species: Hg W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Zn

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Os Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Hf Ru


species: Au Pt

species_pp: Au Pt

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: Hf W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ir Y


species: Fe Hf


species: Ta W

Wyckoff_letters_orig: a d


species: Ta V


species: Hf V


species: Ta Ti


species: Hf Ti

Wyckoff_letters: a f

aflow_prototype_params_list_relax: a b/a c/a


species: Nb Os


species: Nb Ti


species: Cd Hg

species_pp: Cd Hg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: Ti Yb


species: Hf Y


species: Hg Rh


species: Ag Fe


species: La Re

crystal_class: tetragonal-dipyramidal


species: Ni Sc


species: Cs S


species: Hg Pd

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: F Fe

Wyckoff_letters_orig: e e

Wyckoff_letters: c c


species: F V

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Bi O


species: Ca O

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l