species: Ni O W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Ti Zr

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

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: e f h k k

Wyckoff_letters_orig: a b f f k

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: e f h k k

Wyckoff_letters: a b f f k


species: Ni O Sn

species_pp: Ni_pv O Sn

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: a c

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: a c


species: Ni O Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

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

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c h p

Wyckoff_site_symmetries_orig: mmm 2mm ..m

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

Wyckoff_letters: a f

Wyckoff_letters: c h p

Wyckoff_site_symmetries: mmm 2mm ..m


species: Mn O Sc

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

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

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

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Cr O Sr

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a d

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Wyckoff_letters: a d


species: O Sn V

species_pp: O Sn V_sv

crystal_class_orig: hexagonal-pyramidal

point_group_structure_orig: cyclic

Wyckoff_letters_orig: b c c c c c

Wyckoff_letters_orig: b b c c

crystal_class: hexagonal-pyramidal

point_group_structure: cyclic

Wyckoff_letters: b c c c c c

Wyckoff_letters: b b c c


species: Fe O 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


species: Ca O Zr

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

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: 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: d d


species: Ca Mn O

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-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

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: Bi O Ti

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i

Wyckoff_letters: i i i i i


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: b f

Wyckoff_letters_orig: h p

Wyckoff_letters: b f

Wyckoff_letters: h p


species: Co O W

species_pp: Co O W_pv

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a a


species: Ca Ni O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g

aflow_prototype_params_list_relax: a c/a z3


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC


species: Cl Ga K

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: e g

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic

Wyckoff_letters: e g


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Fe O Zr


species: Mn O Zr

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Fe Mg O


species: Ca O Sc


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Br Hg Sr

species_pp: Br Hg Sr_sv

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

Wyckoff_letters: c l

Wyckoff_letters: a h


species: O Sc V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sc Sr

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: a d

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: a d

Wyckoff_site_symmetries: mmm mmm


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Cr O V

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

aflow_prototype_params_list_orig: a b/a c/a


species: Cr O Sn

species_pp: Cr_pv O Sn

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB


species: Ca Cd O

species_pp: Ca_sv Cd O

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ge Pb Te

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Ca O Ti


species: Co O Zr

species_pp: Co O Zr_sv

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

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: Mg Nb O


species: Ni O Sc

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

aflow_prototype_params_list_relax: a b/a c/a x3


species: O Sr Ti

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: O V Zr


species: Pb S Sn

species_pp: Pb_d S Sn

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Co F Li

species_pp: Co F Li_sv

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

crystal_class_orig: tetragonal-trapezoidal

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

Wyckoff_letters_orig: c g g g

crystal_class: tetragonal-trapezoidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: c g g g


species: Fe O W


species: O Pb S

species_pp: O Pb_d S

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: e f g

Wyckoff_letters_orig: c g

Wyckoff_letters: e f g

Wyckoff_letters: c g


species: O Sr W


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Co Mn O

species_pp: Co Mn_pv O


species: Mg Sn Te

species_pp: Mg_pv Sn Te


species: Mg O Sc


species: Mn O Sn

Wyckoff_letters_orig: g i i j

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: g i i j

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: Ni O W

Bravais_lattice_orig: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: h p

Wyckoff_letters: a f

Wyckoff_letters: h p


Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mg O Sr

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Nb O Zr


species: Ca Ir O

species_pp: Ca_sv Ir O


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Cr Ni O


species: Mn Ni O

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Wyckoff_letters_orig: i i i i

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Wyckoff_letters: g g


species: O W Zr


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mg Nb O

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i i i i


species: Li N Na

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

aflow_prototype_params_list_orig: a c/a


species: Fe O Sr


species: Ca Ni O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg Te Zn

species_pp: Mg_pv Te Zn

sg:
Pmmn #59
Pmmn #59
Immm #71

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Sc Zn

species_pp: O Sc_sv Zn


species: O Sc Sr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Nb O Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: S Sn Zn

species_pp: S Sn Zn


species: Mg O Zr


species: Ca Cr O

Wyckoff_letters_orig: a a c

Wyckoff_letters: e g


species: Mn O Sc

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Mg O V


species: Ca O Sr


sg:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c

Wyckoff_letters: h g


species: O Ti W

Wyckoff_letters_orig: a i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_site_symmetries: 2/m m m


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Cr O Sr

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Cr O Sn

species_pp: Cr_pv O Sn

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: g g

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL


species: Mg O Sr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Ni O

species_pp: Co Ni_pv O


species: B Bi O

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

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

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a

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


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Nb O Sr

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a b

Wyckoff_site_symmetries_orig: m m m


species: O Sr Zr

Wyckoff_letters_orig: h p

Wyckoff_letters_orig: a f

Wyckoff_letters: h p

Wyckoff_letters: a f


species: Cu Mg O

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i


species: Ni O W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Mn O

crystal_class_orig: dihexagonal-dipyramidal

aflow_prototype_params_list_orig: a c/a z3


species: Cr Cu O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: e e


species: O Sc Zr

crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Sn Te Zn

species_pp: Sn Te Zn

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mn O Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Sc W


species: Br Cr Rb

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ni O Zr


species: Mn O W


species: Fe O Zr

Wyckoff_letters_orig: a i i


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Cd Cr O

species_pp: Cd Cr_pv O

crystal_class_orig: ditrigonal-scalahedral


species: Nb Ni O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Mn O Sr

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Nb O V

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-dipyramidal


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

Wyckoff_letters: g g


species: Co Cr O

species_pp: Co Cr_pv O

crystal_class_orig: ditetragonal-dipyramidal


species: Co O Zn

species_pp: Co O Zn

crystal_class: orthorhombic-bipyramidal


species: Bi O Ta

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


species: Mg O Zn

species_pp: Mg_pv O Zn

crystal_class_orig: trigonal-pyramidal


species: Mg O Zr

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a

Wyckoff_site_symmetries_orig: m m m m m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a a a

Wyckoff_site_symmetries: m m m m m


species: Ca Cr O

Wyckoff_letters_orig: c h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c h


species: Cr Ni O


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co O Sc

species_pp: Co O Sc_sv


species: Ni O V

aflow_prototype_params_list_relax: a c/a


species: Ca Fe O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Ca O Zn

species_pp: Ca_sv O Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: Mg Pb Te

crystal_class_orig: rhombohedral


species: O Sc W

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a c d e

crystal_class: hexoctahedral

Wyckoff_letters: a f


species: Fe O Ti

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Fe O Sn

species_pp: Fe_pv O Sn


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: c d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d


species: O Sc Sn

species_pp: O Sc_sv Sn


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_site_symmetries_orig: 3m .m .m

Wyckoff_letters: a b b

Wyckoff_site_symmetries: 3m .m .m


species: Mg O Sc

Wyckoff_letters_orig: i i


species: Co Nb O

species_pp: Co Nb_sv O

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Mg S Sn

species_pp: Mg_pv S Sn


species: Ca Mn O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: a f


species: Ca Cd O

species_pp: Ca_sv Cd O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: c c


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Cu O Sr

Wyckoff_letters_orig: a g h

Wyckoff_letters: a g h


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ni O W


species: Mn O Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: B Nd Ru


species: Ge Mg Se


species: Bi O Ti


species: Cr Mg O

Wyckoff_letters_orig: g g

crystal_class: monoclinic-prismatic

Wyckoff_letters: g g


species: Nb O W

crystal_class_orig: tetragonal-dipyramidal


species: Ca O Ti

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

aflow_prototype_params_list_orig: a b/a c/a x3


species: Co O W

species_pp: Co O W_pv

crystal_class_orig: dihexagonal-dipyramidal


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Co Ni O

species_pp: Co Ni_pv O


species: Cd Cr O

species_pp: Cd Cr_pv O

crystal_class: orthorhombic-pyramidal


species: Cd Mn O

species_pp: Cd Mn_pv O


species: Mn O Sr


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: c a

Wyckoff_letters_orig: h g m

Wyckoff_letters: e c


species: Fe Nb O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: O Sr Ti


species: Co O Sn

species_pp: Co O Sn


species: Cl K Ta

Wyckoff_letters_orig: c g g g

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b d

Wyckoff_letters: e k i

Wyckoff_letters: a j


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters: a f


species: Nb O Ti

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Co O Sr

species_pp: Co O Sr_sv

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: a h

Wyckoff_letters: a h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Cr O V

crystal_class: rhombohedral


species: Fe O W

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Co O Zn

species_pp: Co O Zn


species: K O Ta


species: Na Nb O

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: O Pb Rb

Wyckoff_letters_orig: d d d d

Wyckoff_letters_orig: c b b a a

Wyckoff_letters_orig: c c b a

Wyckoff_letters: a d d

Wyckoff_letters: c d


species: I Li Rb

Wyckoff_letters_orig: e e e f

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m m 1

Wyckoff_letters: e e e f

Wyckoff_letters: e e

Wyckoff_letters: e e e

Wyckoff_site_symmetries: m m m 1

Wyckoff_site_symmetries: m m m


species: I Na Ta


species: Mg Na O

crystal_class_orig: orthorhombic-bipyramidal


species: Cs Nb O

Wyckoff_letters_orig: c d


species: Nb O Pb


species: Ag Sn Y

species_pp: Ag Sn Y_sv

crystal_class: dihexagonal-pyramidal


species: Mg O Ta

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Bi Cl Se

species_pp: Bi_d Cl Se


species: Cr Li S


species: O P Pd

species_pp: O P Pd_pv

sg:
Pmna #53
Pmna #53
Pmna #53

sg2:
Pmna #53
Pmna #53
Pmna #53

Wyckoff_letters_orig: g i

Wyckoff_letters: g i


species: Cr O Rb

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m m m

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: i i

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m m m


species: Au In Sr

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: H Sb Sm

species_pp: H Sb Sm_3

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ir P Pr

species_pp: Ir P Pr


species: N O Pt

species_pp: N O Pt

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c c c

Wyckoff_letters: c c c c c c


species: K O Pb

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: a c

Wyckoff_letters: b c

Wyckoff_letters: d h

Wyckoff_letters: a c


species: Li O Ta

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: a b

Wyckoff_letters: d c c


species: F Li Ta

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i i i i


species: Ca I Nb

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: K Nb O


species: Cd Hf O

species_pp: Cd Hf_pv O

crystal_class_orig: monoclinic-domatic

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

Wyckoff_letters_orig: 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 b b b b b b b b b b b b b

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


species: O Pb Rb


species: Na Nb O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li Nb O


species: Mg Mn O


species: I Mg Pb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Al Mn O

species_pp: Al Mn_pv O

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


species: Er O Tb

Wyckoff_letters_orig: a b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b b b


species: Mn O Sm

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h i

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h i


species: Cr O Sm

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e l

Wyckoff_letters: a f

Wyckoff_letters: e l


crystal_class: tetragonal-dipyramidal


species: Cl Cs K

Wyckoff_letters_orig: e g g

Wyckoff_letters: e g g


species: O Tb V

Egap_DOS_type: metal


species: Cu Er O


species: Cu O Ti

Egap_DOS_type: insulator

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a

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


species: Gd O V

species_pp: Gd O V_sv


species: Ni O Tb

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: c k

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: k l

Wyckoff_letters: c k


species: Cs I Pb

Wyckoff_letters_orig: g h i

crystal_class: orthorhombic-bipyramidal


species: Cu O Pr

species_pp: Cu_pv O Pr


species: O Sm Ti


species: Pd Sn Te

species_pp: Pd_pv Sn Te

crystal_class_orig: hexoctahedral


species: Fe O Zn

species_pp: Fe_pv O Zn

sg:
Cmcm #63
Pm #6
Cmcm #63

sg2:
Ama2 #40
Pm #6
Cmcm #63


species: Co Mg O

species_pp: Co Mg_pv O


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: Mn O Ti

Wyckoff_letters_orig: d g

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: d i


species: Fe O Sc

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b

Wyckoff_letters: a b

Wyckoff_letters: a a b


species: Cd Co O

species_pp: Cd Co O


species: Fe Mg O


species: O Sn V

species_pp: O Sn V_sv


species: O Sc V

Wyckoff_letters_orig: a a a

Wyckoff_letters: a h


species: O Sn W

species_pp: O Sn W_pv


species: O Sc W


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: a e e

Wyckoff_site_symmetries_orig: -1 m m

Wyckoff_letters: a g


species: Bi Ir O

species_pp: Bi_d Ir O


species: O Sc Sr

sg2:
Ama2 #40
Cmcm #63
Cmcm #63


species: F Hg Tl

species_pp: F Hg Tl_d

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Ti W

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: Cr Fe O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: b d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: b d


species: Ca Fe O


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Ge S Zn

species_pp: Ge_h S Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Sc Ti

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Cd O Sc

species_pp: Cd O Sc_sv

crystal_class_orig: ditetragonal-dipyramidal


species: Cr O Sc


Wyckoff_letters_orig: f f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f f

Wyckoff_letters: f f


species: Al Cd F

species_pp: Al Cd F

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cr Ni O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a

Wyckoff_letters: c c


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: ditrigonal-scalahedral


species: Bi O Ti


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class_orig: monoclinic-prismatic


species: Cl Hg Sb

species_pp: Cl Hg Sb

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e e

Wyckoff_letters: a e


species: Co O V

species_pp: Co O V_sv

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: b b b


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a


species: Mg O V

Wyckoff_letters_orig: c d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d


species: Co Nb O

species_pp: Co Nb_sv O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Ni O Zn

species_pp: Ni_pv O Zn

crystal_class: dihexagonal-dipyramidal


species: Nb O Pb

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c d

Wyckoff_letters: a c

Wyckoff_letters: c c d


species: Ca Fe O


species: Ca O Zn

species_pp: Ca_sv O Zn

crystal_class_orig: ditrigonal-pyramidal


species: Co Mg O

species_pp: Co Mg_pv O


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mn O Sc

crystal_class: hexoctahedral


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: i i j


species: Cr O W

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: S Sn Zn

species_pp: S Sn Zn

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a b

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating

Wyckoff_letters: a a b b

Wyckoff_letters: a b


species: Mg Pb Se

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Mg Se Sn

species_pp: Mg_pv Se Sn


species: Co O Zr

species_pp: Co O Zr_sv


species: Cd O Sc

crystal_class_orig: tetragonal-dipyramidal


species: Mn Nb O

Wyckoff_letters_orig: b e e

Wyckoff_letters: b e e


species: Ni O Sr


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Ce Ga Pt

species_pp: Ce Ga_h Pt


species: Ca O Zr


species: O Ti V

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i

Wyckoff_letters: a d


species: Bi O Ti


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: a a

Wyckoff_letters: b a


species: Cd Cr O

species_pp: Cd Cr_pv O


Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pinacoidal

Wyckoff_letters: d a

Wyckoff_letters: i i i


species: Cr O Ti


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O Sr Ti


species: Mn O Sn

species_pp: Mn_pv O Sn

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: b b c c

Wyckoff_letters_orig: b c c c c c

crystal_class: hexagonal-pyramidal

Wyckoff_letters: b b c c

Wyckoff_letters: b c c c c c


species: Ca Cr O


species: Cd O Sn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Br Hg Ni

species_pp: Br Hg Ni_pv


Wyckoff_letters_orig: a k

Wyckoff_letters_orig: k l

Wyckoff_letters: a k

Wyckoff_letters: k l


species: Ca O V


species: O Ti W


species: Nb O V

Wyckoff_letters_orig: a d


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Fe O Sc


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: c c c c

Wyckoff_letters: i i i i


species: Cr Ni O

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Fe Nb O

sg:
Cmmm #65
Cmmm #65
Cmmm #65

crystal_class_orig: orthorhombic-bipyramidal


species: O Sr W


species: Nb O Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Ni O


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Mn O Zr


species: Fe O Sr


species: Mg S Sn

species_pp: Mg_pv S Sn


species: Ca O Sr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd O Sn


species: Mn O Ti


species: Ca Mg O

crystal_class: ditrigonal-pyramidal


species: O Sc Zr

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a


species: Ir O Y

species_pp: Ir O Y_sv

Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e

Wyckoff_letters: e e


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Bravais_lattice_relax: ORCF

Wyckoff_letters_orig: a g

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

Wyckoff_letters: a g


species: Cd O Zn

species_pp: Cd O Zn


species: Mn Ni O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: rhombohedral


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a


species: Co Cr O

species_pp: Co Cr_pv O


species: I Li Ta

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cr Ni O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i

Wyckoff_letters: a i

Wyckoff_letters: i i


species: Ni O V


species: Cl Sn Tl

species_pp: Cl Sn Tl_d

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Fe O Sn

species_pp: Fe_pv O Sn

sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: Ca Fe O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: O V W

Wyckoff_letters_orig: c h p

Wyckoff_letters_orig: a f

Wyckoff_letters: c h p

Wyckoff_letters: a f


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Mg Nb O


species: Mn O Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr O Ti


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mn Nb O


species: Ge Pb Se

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

Wyckoff_letters: b c

Wyckoff_letters: d h


species: O Ti V


species: Cd Ni O

crystal_class: tetragonal-dipyramidal


species: Ni O Zn

species_pp: Ni_pv O Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: b g

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b g


species: Fe O Sr

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a b

Wyckoff_letters: c c

Wyckoff_letters: c c c

Wyckoff_letters: a b


species: Hf Lu O

species_pp: Hf_pv Lu O

crystal_class_orig: hexoctahedral


species: Co Nb O

species_pp: Co Nb_sv O


species: Co O Sr

species_pp: Co O Sr_sv

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: a a a b b b

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

Wyckoff_letters_orig: a a a

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

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a b b b

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

Wyckoff_letters: a a a

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


species: Fe O Sc

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mg O Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ni O Sc


species: Ca O Sr

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Mg O Sc

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: Nb Ni O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Mg Nb O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Pd Rh


species: Cr O V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O V Zr


species: Pb Se Sn

species_pp: Pb_d Se Sn

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Bi O Ti

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cd O V

species_pp: Cd O V_sv

crystal_class_orig: triclinic-pedial

crystal_class: triclinic-pedial


species: Mg Ni O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: a b c f

Wyckoff_letters: c b a d


crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Co O V

species_pp: Co O V_sv

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Fe O Ti


species: Nb O W

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co Fe O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b

Wyckoff_letters: c c c


species: O W Zr

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c d

Wyckoff_letters_orig: a c

Wyckoff_letters: c c c d

Wyckoff_letters: a c


species: Co O W

species_pp: Co O W_pv

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cl Hg Sn

species_pp: Cl Hg Sn


species: Fe Mg O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cr O Zn

crystal_class: ditetragonal-dipyramidal


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Br Nb Tl

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: a d

crystal_class: trigonal-trapezoidal

Wyckoff_letters: e g

Wyckoff_letters: a d


species: Pb S Zn

species_pp: Pb_d S Zn


species: Nb Ni O


species: Pb Se Zn

species_pp: Pb_d Se Zn


species: Mg Se Sn

species_pp: Mg_pv Se Sn

crystal_class_orig: rhombohedral


species: Mn Ni O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Ni O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: c g


species: O V Zn

species_pp: O V_sv Zn

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: f g


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: a b e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: a b e

Wyckoff_letters: e e e e


species: Eu O Si

species_pp: Eu O Si

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a

crystal_class: hexoctahedral

Wyckoff_letters: f a


species: Ca O V

crystal_class_orig: tetragonal-scalenoidal


species: Cd O Sr

species_pp: Cd O Sr_sv

crystal_class: tetragonal-scalenoidal


species: O Ti V

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h

crystal_class: monoclinic-prismatic

Wyckoff_letters: a h


species: Cr O Zr

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: b e

Wyckoff_letters: c f


species: Cr Nb O

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Co O V

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: diploidal

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

crystal_class: diploidal

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Al H La

species_pp: Al H La


species: Ca O Zn

species_pp: Ca_sv O Zn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters: a a


species: Mn O W

crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Mn O Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b c d

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


species: Nb O V


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Fe Mg O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mg Ni O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mg Pb S


species: Bi O Ti


species: Cr Ni O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Mg O

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a

Wyckoff_letters: b b b


species: Co Nb O

species_pp: Co Nb_sv O


species: Ca O Ti


species: Cr Nb O

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


sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i i i i i


species: O Pr Sb

species_pp: O Pr Sb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Fe Ni O


species: Mg O Sr

Wyckoff_letters_orig: a a

crystal_class: ditrigonal-pyramidal


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Co O Ti

species_pp: Co O Ti_sv


species: Mg Mn O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Cd O Sn

species_pp: Cd O Sn


crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: O Sn W

species_pp: O Sn W_pv


species: Cu F Sb

species_pp: Cu_pv F Sb

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Mg O W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sn Ti

species_pp: O Sn Ti_sv


species: F Li Na


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: d g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f

Wyckoff_letters: d g


species: Nb O W


crystal_class_orig: hexoctahedral


species: Mg O V


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: a g

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a g


species: Ca Nb O

sg:
Pbcn #60
Cmmm #65
Cmmm #65

sg2:
Pbcn #60
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: d d


Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Nb O V

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: O Sn Zr

species_pp: O Sn Zr_sv


species: Fe Mg O

Wyckoff_letters_orig: b f

Wyckoff_letters_orig: h p

Wyckoff_letters: b f

Wyckoff_letters: h p


species: Cd Ni O

species_pp: Cd Ni_pv O

sg:
I4/mmm #139
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g h n

Wyckoff_letters: a c

Wyckoff_letters: g h

Wyckoff_letters: g h n


species: Cr O Sc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co O Ti

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Mn O Sc


species: Se Sn Zn

species_pp: Se Sn Zn


species: Mn O Zr

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


species: O Sr V


species: Ni O Zn

species_pp: Ni_pv O Zn


species: Ca O Ti


species: O Sr Zn

species_pp: O Sr_sv Zn

sg:
Pnna #52
Cmcm #63
Cmcm #63

sg2:
Pnna #52
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: d e

Wyckoff_letters: c f


species: Ge Te Zn

species_pp: Ge_h Te Zn

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Mg Mn O

Wyckoff_letters_orig: i i j

Wyckoff_letters: e e n


species: Ni O V


species: Mg O W


species: Mg O V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Mg O

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: i i

Wyckoff_letters: b d

Wyckoff_letters: i i


Wyckoff_letters_orig: c f


species: Ca F Tl

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c d

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: c d


species: Nb Ni O


species: Cd Ni O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co O V

species_pp: Co O V_sv


species: Ge S Sn

species_pp: Ge_h S Sn


species: Fe Nb O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Se Sn Zn


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

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Nb O Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Sc V


species: Fe O Ti


species: Ge Mg S


species: Ca Cr O

Wyckoff_letters_orig: f f

Wyckoff_letters: a f

Wyckoff_letters: f f


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: m m n n o o

Wyckoff_letters_orig: a b c e o

Wyckoff_letters_orig: m n

Wyckoff_site_symmetries_orig: m m m m 1 1

Wyckoff_letters: n n m m o o

Wyckoff_letters: b a e c o

Wyckoff_letters: n m

Wyckoff_site_symmetries: m m m m 1 1


species: Mn O Sn

species_pp: Mn_pv O Sn


species: Fe O V

Wyckoff_letters_orig: a d


species: Ca O Sr


species: Mg O Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mg Se Zn

species_pp: Mg_pv Se Zn

Wyckoff_letters_orig: c e f

Wyckoff_letters: c e f


species: Mn O Sr


species: Cr O W


species: O Sr W

Wyckoff_letters_orig: d g

Wyckoff_letters: d i


species: Cr O Sc

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Sn Zn

species_pp: O Sn Zn

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cr O Ti

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: f e l

Wyckoff_letters: c g


species: Mn O Zn

species_pp: Mn_pv O Zn

crystal_class_orig: monoclinic-domatic


species: O Sc Zr

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters: a d


species: Ca Ni O


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Mg Ni O

sg:
Pmmm #47
Pmmm #47
Pmmm #47


species: Mn O W


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co Mn O

species_pp: Co Mn_pv O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a


crystal_class_orig: monoclinic-prismatic


Wyckoff_letters_orig: c g


species: Ca Nb O

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b b b

Wyckoff_letters: b b

Wyckoff_letters: a b b b


species: Ca O V

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O Ti Zn


species: Cr Mg O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Mg Pb Te

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: b i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: b i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: 2/m m m m


species: Ca Cr O

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Fe O Ti

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: O Sr Zr


species: F Hg Mg

species_pp: F Hg Mg_pv

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a b

Wyckoff_letters: c d

Wyckoff_letters: a b


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a e


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: a g g

Wyckoff_letters: a g g


species: O W Zr

Wyckoff_letters_orig: c a

Wyckoff_letters: a c


Wyckoff_letters_orig: a c m

Wyckoff_site_symmetries_orig: mmm mmm ..2

Wyckoff_letters: a c m

Wyckoff_site_symmetries: mmm mmm ..2


species: Co Fe O

species_pp: Co Fe_pv O

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd Mn O

species_pp: Cd Mn_pv O

crystal_class: ditetragonal-dipyramidal


species: Na Nb O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cs I Mg

Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a


species: I Nb Ta

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: a a a a a a a a


species: K O Ta

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters: a e


species: Li Nb O

sg:
Pbcn #60
Cmcm #63
Cmcm #63

sg2:
Pbcn #60
Cmcm #63
Cmcm #63

Wyckoff_letters: c g


species: Li O Pb

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Mg Na O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Mg O Ta

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Nb O Ta

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i i i i


species: Ni P V


species: Li O Se

species_pp: Li_sv O Se

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a


species: F Fe K

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Cl Na Nb

Wyckoff_letters_orig: g i i

Wyckoff_site_symmetries_orig: 2 m m

Wyckoff_letters: a h


species: Al Ge Ho


species: F Nb Ta

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: I Rb Ta


species: Cd S Ta

species_pp: Cd S Ta_pv


species: Na O Pb

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: O Pb Ta

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

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


species: I Mg Rb

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Ca I Na

Wyckoff_letters_orig: a h


species: Au La O

species_pp: Au La O


species: K Ni O


species: Cu O Tb


species: Er O Ti

Wyckoff_letters_orig: c d e e g

Wyckoff_letters_orig: a e

Wyckoff_letters: c d e e g


species: Er O Sm

Wyckoff_letters_orig: e k

Wyckoff_letters: e n


species: Mn O Pr

species_pp: Mn_pv O Pr

Wyckoff_letters_orig: a g g

Wyckoff_letters: a g g


species: Na O Ta


species: I Na Pb

Wyckoff_letters: i j


species: I Nb Pb


species: Ce Cr O

species_pp: Ce Cr_pv O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c c f f

crystal_class: rhombohedral

Wyckoff_letters: a f

Wyckoff_letters: c c f f


species: S Se Zn

species_pp: S Se Zn

sg:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_site_symmetries_orig: m m m m m m m m

Wyckoff_letters: a a a a a a a a

Wyckoff_site_symmetries: m m m m m m

Wyckoff_site_symmetries: m m m m m m m m


species: O Sm V


species: Mn O Zr

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: O Pr Sm

species_pp: O Pr Sm_3

Wyckoff_letters_orig: h h h

Wyckoff_letters: h h h


species: Cs I Pb


sg:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f f g

Wyckoff_letters: d f f g


Wyckoff_letters: a e


species: Ag Bi I

species_pp: Ag Bi_d I