species: Se Sn

species_pp: Se Sn


species: Mo Nb

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: S Ta

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Cd O

species_pp: Cd O

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: e e

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: e e


sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

point_group_type_orig: polar

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: a a a b b b b b b

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

point_group_type: polar

point_group_structure: cyclic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: a a a b b b b b b

Wyckoff_letters: a a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m m


species: Mn O

crystal_class_orig: ditrigonal-dipyramidal

point_group_structure_orig: dihedral

crystal_class: ditrigonal-dipyramidal

point_group_structure: dihedral

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Hg Ru

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Ni Os


species: Co F

species_pp: Co F

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: Cr Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sr

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

point_group_type_orig: enantiomorphic

point_group_structure_orig: symmetric

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

point_group_Schoenflies: O

point_group_type: enantiomorphic

point_group_structure: symmetric

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Cr O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Bravais_lattice_orig: TET

lattice_variation_orig: TET

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: g g

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: j h


species: Cr Li

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: F Mg

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c c b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c b


sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Bravais_lattice_orig: MCLC

Bravais_lattice_relax: MCLC

Bravais_lattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m

Bravais_lattice_lattice_type: MCLC

Bravais_superlattice_lattice_type: MCLC

reciprocal_lattice_type: MCLC

Wyckoff_letters: a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m


species: Co O

species_pp: Co O


species: O Sn

species_pp: O Sn

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

crystal_class_orig: orthorhombic-pyramidal

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: Te Zn

species_pp: Te Zn

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

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Ca Mg

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Ca Li

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC


sg:
Pnma #62
Pnma #62
Pnma #62


species: Bi O

crystal_class_orig: dihexagonal-pyramidal


species: O Ru

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Wyckoff_letters_orig: b e

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Wyckoff_letters: b e

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: O Sb

species_pp: O Sb

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Cd O


species: Ca Zn

Bravais_lattice_orig: BCT

crystal_class_orig: tetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Bravais_lattice_lattice_type: BCT

reciprocal_lattice_type: BCT

aflow_prototype_params_list_relax: a c/a x2


crystal_class_orig: monoclinic-prismatic

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: f f


species: Cr K


species: Fe O

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: K Li

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: I Tc

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: i i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m

Wyckoff_site_symmetries: m m


species: Co F


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a c


species: Au La

species_pp: Au La

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ti Zr

Wyckoff_letters_orig: c i

Wyckoff_letters: d i

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

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


species: O V


Wyckoff_letters_orig: e e


species: Eu O

species_pp: Eu O

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC


species: Ba P

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I V

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: Bi Cs


species: La Rh


species: O Sn

sg2:
P4/ncc #130
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: g g

Wyckoff_letters: i h


species: O W

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Mn Ti

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Li Ni


Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: b c

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: b c


species: Ca V


species: F Mn

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI


species: Cr Mg


sg:
Pnma #62
Imma #74
Imma #74

sg2:
Pnma #62
Imma #74
Imma #74


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: Ca Co


species: Mg Nb


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


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Pb Rb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe W


species: Co Fe

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Co V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Fe


species: Cu Ni


species: Cu Ti


species: Cu W


species: Fe Mo

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Mn Mo


species: Mn V


species: Ni Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni Zn

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


species: Ti Zn


species: V Zn


species: Co Mn

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Co Mo

Wyckoff_letters_orig: c d


species: Co Ti


species: Cr Cu

sg:
Immm #71
Immm #71
Immm #71


sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Cr Ni


species: Cr Ti


species: Cu Fe

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Zn

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Fe Ni


species: Fe Zn


species: Mn W


species: Mn Zn


crystal_class: tetragonal-dipyramidal


species: Mo Ti


species: Mo W


species: W Zn

Wyckoff_letters: c d


species: Cl Cs

crystal_class: dihexagonal-pyramidal


species: Cl Pb

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Cs Hg

crystal_class_orig: diploidal

Wyckoff_letters_orig: a f g g g g h

crystal_class: diploidal

Wyckoff_letters: a f g g g g h


species: Hg Ho

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Hg Mg

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


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

crystal_class_orig: orthorhombic-bipyramidal


species: Hg Rb

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

crystal_class: orthorhombic-bipyramidal


species: Hg S

species_pp: Hg S


sg:
Pnma #62
Cmcm #63
Cmcm #63


species: Hg Te

species_pp: Hg Te

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

Wyckoff_letters_orig: a f

Wyckoff_letters: a e

aflow_prototype_params_list_orig: a b/a c/a


species: Ca Rb

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal

aflow_prototype_params_list_orig: a c/a x2


species: Ca Ta

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cs Ta


species: K Rb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: K Ta

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Li Rb


species: Li Ta

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Nb Pb


crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: F Ta

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: c a


species: O Sm


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Eu Ni


species: Dy Fe

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Eu V


species: Ce Ho


species: Mn Yb


species: Dy Sm


species: Ce Gd

species_pp: Ce Gd


species: Cu Er

Egap_DOS_type: metal


species: Dy Eu


species: Er Zn


species: Mn Sm


species: Nd Ni


species: Tb Ti


species: Ag I

species_pp: Ag I

Egap_DOS_type: insulator

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a


species: Cs I


species: I Pb


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Ag Mn


species: Cd Rh


species: Cd Zr


species: Nb Tc


species: Os Sc


species: Rh Zr


species: Mn Pt


species: Sc V

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ag Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Sm V

Wyckoff_letters: c d e


species: Au Sc

Wyckoff_letters_orig: c i

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a b/a c/a x3


species: Pt Sc

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: La Mo


species: Cr Ru

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg O


species: Ca I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


species: Co I

species_pp: Co I

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e

Wyckoff_site_symmetries: m m m


Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


species: Cr I


Egap_DOS_type: half-metal

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: I K


species: I Mg

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b

point_group_Schoenflies: T

point_group_structure: alternating

Wyckoff_letters: c c

Wyckoff_letters: a b b


species: Be I

Wyckoff_letters_orig: a e i

Wyckoff_letters: d b i


species: I Rb


species: Ag I

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

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

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


Wyckoff_letters_orig: b c

Wyckoff_letters_orig: m n

Wyckoff_letters: b c

Wyckoff_letters: m n


Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a b g g

Wyckoff_letters: c g

Wyckoff_letters: a b g g


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Cd I

species_pp: Cd I

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: I In


species: Hg I

species_pp: Hg I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: I Pb


Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd Fe

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3


species: Mn O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Os V


species: Cu I


species: Ga I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hf Sc


species: Y Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Au W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: La Re


species: Cs O


species: Mn Pt


species: F Sm

crystal_class_orig: dihexagonal-pyramidal


species: Hf Os


species: La Ti


species: Ta W


species: Hf W


species: Os Pt


species: Hf Ta

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


species: Hf V


species: Ta Zr


species: W Zr


species: Cu Y


species: Nb W

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ta Ti

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ta V


species: Cr Dy

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ir Pt

species_pp: Ir Pt

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Sc Si


species: Co K


species: Hf Ru


species: Hg V


species: Ir Sc


species: Fe Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Al Ca