species: O Sm V

Wyckoff_letters_orig: a a a a a a b b b

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a

Wyckoff_site_symmetries_orig: .m .m .m

Wyckoff_letters: a a a a a a b b b

Wyckoff_letters: b b b

Wyckoff_letters: a a a

Wyckoff_site_symmetries: .m .m .m


species: Ce O V

species_pp: Ce O V_sv

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

point_group_type_orig: centrosymmetric

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: cubic

crystal_system: cubic

crystal_class: hexoctahedral

point_group_type: centrosymmetric

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


species: Ni O Sm

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c

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: O Pm V

species_pp: O Pm V_sv

crystal_class_orig: tetragonal-disphenoidal

point_group_structure_orig: cyclic

crystal_class: tetragonal-disphenoidal

point_group_structure: cyclic


species: Ho O Ti

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: trigonal

crystal_class_orig: trigonal-pyramidal

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: a a a a c c c b b b

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: a c b

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: rhombohedral

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: c c d d d

Wyckoff_letters: g g g

Wyckoff_letters: a d


species: Ho O V


species: O Sm Ti

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

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: g h

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: h g


species: I K Nb

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

Wyckoff_letters_orig: e e f f

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: m m

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: c d


species: Cu Ho O

Egap_DOS_type: metal

crystal_class_orig: tetragonal-scalenoidal

point_group_structure_orig: dihedral

crystal_class: tetragonal-scalenoidal

point_group_structure: dihedral

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Cu Fe O

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: MCLC

Wyckoff_letters_orig: b c i 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: b c i i i

Wyckoff_letters: i i i i i


species: Er O V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe O Sr

Egap_DOS_type: insulator

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: b b b b b b b b

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

crystal_class: trigonal-pyramidal

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: b b b b b b b b

Wyckoff_letters: b b

Wyckoff_letters: b b b b


species: Mg Ni O

sg:
Cccm #66
Cccm #66
Cccm #66

sg2:
Cccm #66
Cccm #66
Cccm #66

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

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_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_system_orig: orthorhombic

Wyckoff_letters_orig: k l

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: k l


species: Cu Dy O

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Cu Eu O

species_pp: Cu_pv Eu O


species: Cs I Pb

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Bravais_lattice_orig: ORC

lattice_variation_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: c c c

Wyckoff_letters: c c c


species: Co O Tb

species_pp: Co O Tb_3

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

crystal_class_orig: ditrigonal-scalahedral

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 c/a


species: Cr O Tb

crystal_class_orig: tetragonal-trapezoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: a b b b

crystal_class: tetragonal-trapezoidal

point_group_type: enantiomorphic

Wyckoff_letters: a b b b


species: Ce O V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a k

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a k


species: Bi O Ti

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

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


Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC


species: Ca Co O

species_pp: Ca_sv Co O

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC


species: Mg O Zr

Bravais_lattice_orig: MCLC

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC


species: Ca Mn O


species: Nb O Sc

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Ca Ni O

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Wyckoff_letters: a a


species: O V Zn

species_pp: O V_sv Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O Zr

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

crystal_class: ditrigonal-pyramidal


Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

Wyckoff_letters_orig: a i j

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: a i j


species: O Sc V

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Co O Sc

species_pp: Co O Sc_sv

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Co O Zn

species_pp: Co O Zn

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL


species: O Sr W


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Fe Ni O

Wyckoff_letters_orig: a i

Wyckoff_letters: a i

Wyckoff_site_symmetries: m m


species: Mg Se Zn

species_pp: Mg_pv Se Zn


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: i i i j

Wyckoff_site_symmetries_orig: m m m 1

Wyckoff_letters: a h

Wyckoff_letters: i i i j

Wyckoff_site_symmetries: m m m 1


crystal_class_orig: ditrigonal-pyramidal


species: Ni O Zr


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: d a

Wyckoff_letters: g h

Wyckoff_letters: a d


species: Ca Nb O

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Nb O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O Ti W

crystal_class: ditrigonal-scalahedral


species: Ge Pb S

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a d


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: ditetragonal-dipyramidal


species: O Sr Zr


species: Nb O Sr


species: Mn O W


species: Mn Ni O


species: Cl Cr Rb

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: a f

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i

Wyckoff_letters: a f


species: Mg O Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Br Cr Li

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Cd O Sc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: F Hf Na

crystal_class: hexoctahedral


species: Cd Nb O

species_pp: Cd Nb_sv O

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: F Mn Ti

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Pb Te Zn

species_pp: Pb_d Te Zn

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a

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

Wyckoff_letters_orig: a a a b b b

Wyckoff_site_symmetries_orig: m m m

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

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a

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

Wyckoff_letters: a a a b b b

Wyckoff_site_symmetries: m m m

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


species: Mn O Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Cd O

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Ca O V

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c g h

Wyckoff_letters: i j

Wyckoff_letters: c g h


species: Mg O V

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

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: a g

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a g


species: O Sc V

crystal_class: ditetragonal-dipyramidal


species: Nb O Sc

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Fe O V


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: b c e

Wyckoff_site_symmetries_orig: mmm mmm mmm

aflow_prototype_params_list_orig: a b/a c/a


species: Co Nb O

species_pp: Co Nb_sv O


species: Ni O W

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b c d e e e e

Wyckoff_letters_orig: a b c d

Wyckoff_letters: e e

Wyckoff_letters: a b c d e e e e

Wyckoff_letters: a b c d


species: Br Cd K

species_pp: Br Cd K_sv


species: Cr O Ti

Wyckoff_letters_orig: i h

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: h i


species: Mg O Ti

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: d d f g

Wyckoff_letters_orig: a d

Wyckoff_letters: d d

Wyckoff_letters: d d f g

Wyckoff_letters: a d


species: Nb O Zn

species_pp: Nb_sv O Zn

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a


species: Au Ca F

species_pp: Au Ca_sv F

Wyckoff_letters_orig: g g l

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: g g l


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: Ni O Zn

species_pp: Ni_pv O Zn


species: I Li Ta

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a e e e

Wyckoff_letters: a f d


species: Ir O Tb

species_pp: Ir O Tb_3

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca Cr O

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a b b

Wyckoff_letters: a a b b

Wyckoff_letters: a b b


species: Co Mn O

species_pp: Co Mn_pv O


species: Ag Bi I

species_pp: Ag Bi_d I

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Wyckoff_letters: e e e e


species: O Sc V


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: O Sr W

crystal_class_orig: orthorhombic-bipyramidal


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: Cd Mn O

species_pp: Cd Mn_pv O


species: Ca O Sc


species: Cr Nb O

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b f


species: Fe O Sc

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: rhombohedral


species: O Sn Zn

species_pp: O Sn Zn

crystal_class: monoclinic-sphenoidal


species: Mg Ni O

crystal_class: orthorhombic-pyramidal


species: Nb O Sr


species: Co Cr O

species_pp: Co Cr_pv O


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O W Zr

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal


species: Ca Nb O

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: b e

Wyckoff_letters: c f


species: Ni O Sr

crystal_class_orig: ditrigonal-scalahedral


species: Cr O Sc

crystal_class_orig: hexoctahedral


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: i h


species: O Sc W


species: Cr O Ti


species: Mn O Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni O Ti


species: Cr O V

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Ca Li O


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca Mg O

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

aflow_prototype_params_list_relax: a b/a c/a x3


Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i


species: Cr O W

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Pb Se Sn

species_pp: Pb_d Se Sn

sg:
I4/mcm #140
Fmmm #69
Fmmm #69

sg2:
I4/mcm #140
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a h

Wyckoff_letters: f i h

aflow_prototype_params_list_orig: a c/a x4


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Sr Ti


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m m m


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Ca Cr O


Wyckoff_letters: c e


species: Ca O V


species: Mg Ni O


species: Mg Nb O

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni O Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O W

Wyckoff_letters_orig: c f


species: Mg O Ti


species: Pb S Zn

species_pp: Pb_d S Zn

crystal_class_orig: rhombohedral


species: Nb Ni O


species: Mg O Zr


species: Fe Nb O

Wyckoff_letters_orig: c c c c


species: O V W


species: Ca Mn O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Br Rb Zn

species_pp: Br Rb_sv Zn

Wyckoff_letters_orig: c c c d

Wyckoff_letters_orig: c d

Wyckoff_letters: c c c d

Wyckoff_letters: c d


species: F Sr Tl


species: O Sr Ti

Wyckoff_letters: a h


species: O W Zn


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cd O W

species_pp: Cd O W_pv

crystal_class: hexagonal-trapezoidal


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class: ditrigonal-scalahedral


species: O V Zr

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


species: Cd Ni O

species_pp: Cd Ni_pv O


species: O Sc Ti


species: Mg Te Zn

species_pp: Mg_pv Te Zn

Wyckoff_letters_orig: c e f

Wyckoff_letters_orig: a e

Wyckoff_letters: c e f

Wyckoff_letters: a e


species: O Ti V


species: Nb O W

crystal_class_orig: ditetragonal-dipyramidal

aflow_prototype_params_list_relax: a c/a


species: Mg O V


species: Cl Hg Ta

species_pp: Cl Hg Ta_pv


species: Fe Nb O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: u u


species: Ca O Sc

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: Ca Fe O


species: Mn O V


species: Cr O Ti


species: Cr O Sc

crystal_class_orig: dihexagonal-pyramidal


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Co Mg O

species_pp: Co Mg_pv O


species: Ca O Zr


crystal_class_orig: monoclinic-domatic

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

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: 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_letters: a a a b b b


species: Co O Zn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca Cl Rb

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: S Sn Zn

species_pp: S Sn Zn

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i i i i

Wyckoff_letters: i i i


species: O Sn Zn

species_pp: O Sn Zn


species: Ca Mn O


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters: b h

aflow_prototype_params_list_relax: a b/a c/a x4


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ho O Sn

species_pp: Ho_3 O Sn

Wyckoff_letters_orig: a f

crystal_class: hexoctahedral

Wyckoff_letters: a f


Wyckoff_letters_orig: h p

Wyckoff_letters_orig: b f

Wyckoff_letters: h p

Wyckoff_letters: b f


species: Nb O Sc


species: Cd Nb O

Wyckoff_letters: d i


species: Nb O Sr


species: Ca Mg O


species: Cr Nb O


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mn Ni O

Wyckoff_letters_orig: b c e


species: O Sr W


species: O Sc V


species: Cr O V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe O V

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: Fe O W

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b b b

Wyckoff_letters: b b

Wyckoff_letters: a b b b


species: Mg O Ti


species: Fe Mg O

Wyckoff_letters_orig: d i


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Cl Li Sr

Wyckoff_letters: e e e


species: O Sn Zr

species_pp: O Sn Zr_sv


species: Bi O Ti

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


species: O Sc Sr

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Mg O Sc

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters: f e e


species: Fe O Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni O V


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sc Zr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: a a a

crystal_class: ditrigonal-pyramidal


species: Ca O Zr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Ca O Ti

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O W Zr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: O Sr V


species: Ge S Zn

species_pp: Ge_h S Zn

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Cr Mn O


species: Mn Ni O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: h p

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a f

Wyckoff_letters: h p


species: Cd O Sc


species: O Sc Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe O Sr

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca O Sr

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Fe Mn O

crystal_class: ditetragonal-dipyramidal


species: Cr Mg O

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Br K Ni

Wyckoff_letters_orig: e l

Wyckoff_letters: e l


species: Ni O Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg O Zn

species_pp: Mg_pv O Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a e g

Wyckoff_letters_orig: b e

Wyckoff_letters: a e g

Wyckoff_letters: b e


species: Co Mg O

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr Nb O


species: O V Zn

species_pp: O V_sv Zn


species: O Sn Zn


species: O Ti W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn O Sn

species_pp: Mn_pv O Sn


species: Fe O W


species: Ca Cr O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c g


species: Cr O Ti


species: Mg Ni O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

Wyckoff_letters: b c

Wyckoff_letters: d h


species: Fe O Zn

species_pp: Fe_pv O Zn


species: Fe O V

Wyckoff_letters_orig: c h p

Wyckoff_site_symmetries_orig: mmm 2mm ..m

Wyckoff_letters: c h p

Wyckoff_site_symmetries: mmm 2mm ..m


species: Mn O Sc


species: O Sn Ti

species_pp: O Sn Ti_sv

crystal_class: dihexagonal-dipyramidal


species: Ni O Sn

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cr O Zr


species: Mg O Sn

species_pp: Mg_pv O Sn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a b


species: Fe Nb O

sg2:
Pmmn #59
Imm2 #44
Immm #71


species: Co Mn O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Mn O Sr


species: Ni O Zr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: b d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: b d


species: Nb O Zn

species_pp: Nb_sv O Zn


species: Ca O W

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Cr Ni O


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co O V

species_pp: Co O V_sv


species: Mg O Ti


species: F O W

species_pp: F O W_pv

Wyckoff_letters_orig: i i j j j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j j j

Wyckoff_letters: g i


species: Cd Mn O

species_pp: Cd Mn_pv O


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Cd Cr O

species_pp: Cd Cr_pv O


species: O Sn V

species_pp: O Sn V_sv


species: Ag Ce Sn

species_pp: Ag Ce Sn

crystal_class: dihexagonal-pyramidal


species: Ni O Sn

species_pp: Ni_pv O Sn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mg O Sn

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a d


species: Co Cr O

species_pp: Co Cr_pv O


species: Fe O Zn

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Mg O Sr


species: Fe O Zr

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Fe O Sr

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mg O Zr

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: C Cu Zr


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: O Sc V

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: i i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i i


species: Mn O Sc


species: Cr Mn O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ni O Sc

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


crystal_class: ditrigonal-scalahedral


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: O Os Sn

species_pp: O Os_pv Sn

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Cr O Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: i i

Wyckoff_letters: a i i i

Wyckoff_site_symmetries: 2/m m m m


species: F Hg Sc

species_pp: F Hg Sc_sv


species: O W Zr


species: Cd Cr O

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Ca Co O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Fe O


species: O Sn Zr

species_pp: O Sn Zr_sv


species: O Sr W


species: Cr O Sr


species: Co O Sn

species_pp: Co O Sn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f


species: Ca Nb O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Co Ni O

species_pp: Co Ni_pv O


species: O Sn Zn

species_pp: O Sn Zn


species: Ca O Sr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn O W


species: Cr O W


species: Mg O V

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Ca I Li

crystal_class_orig: orthorhombic-bipyramidal


species: Nb O W

sg:
Cmcm #63
Pmmm #47
P4/mmm #123


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Fe O Sn

species_pp: Fe_pv O Sn

aflow_prototype_params_list_relax: a c/a x4


species: Mg O Zr


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca Fe O

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


Wyckoff_letters_orig: b f

Wyckoff_letters_orig: h p

Wyckoff_letters: b f

Wyckoff_letters: h p


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: O Sr W

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Ca Mn O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Fe O W


species: Bi Cs I


species: Ca O Zr


species: O Sc Ti

Wyckoff_letters_orig: a a a a a

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: a i i

Wyckoff_letters: c i i

Wyckoff_site_symmetries: 2/m m m


species: Fe Mn O


species: Nb O Zr


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class: hexoctahedral


species: O Sn Ti

species_pp: O Sn Ti_sv

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Nb O Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Bi O Ti

Wyckoff_letters_orig: g i i j

Wyckoff_letters_orig: i i

Wyckoff_letters: g i i j

Wyckoff_letters: i i


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: b c


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: a e


species: Cd O W

species_pp: Cd O W_pv

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: h g


species: O Ti Zr

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Br Mn Tl

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c l

Wyckoff_letters: a h


species: Ca F Sb

species_pp: Ca_sv F Sb

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: O Sr Zr


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Fe O W

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c h p

Wyckoff_letters: a f

Wyckoff_letters: c h p


species: Br Rb V

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: a b c f

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: d b a c

Wyckoff_letters: i i i i


species: Cr O Sr

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Mn O Zr

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters: i i i i i i i i i


species: O Ru Yb

species_pp: O Ru_pv Yb

crystal_class_orig: hexoctahedral


species: O Ti V

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a

crystal_class: dihexagonal-dipyramidal


species: Cr Ni O


species: Ni O Sn

species_pp: Ni_pv O Sn


species: O Sc Zr


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Ti W

Wyckoff_letters_orig: a e g

Wyckoff_letters_orig: b e

Wyckoff_letters: a e g

Wyckoff_letters: b e


species: Co O Sn

species_pp: Co O Sn


species: O Sr Ti


species: O Ti Zr

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i


species: Mg O V


species: Co Fe O

species_pp: Co Fe_pv O


species: Mg O Zr

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Cr O Ta

Wyckoff_letters_orig: i j i i g

Wyckoff_letters_orig: c a

Wyckoff_letters: i j i i g

Wyckoff_letters: c a


Wyckoff_letters_orig: a f


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: b d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b d


species: Mg O Zn

species_pp: Mg_pv O Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Co O Ti

species_pp: Co O Ti_sv


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca Mg O


species: Cr Mg O


species: Cr O V


species: Mg O Ti

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: f a

Wyckoff_letters_orig: i d

Wyckoff_letters: f a

Wyckoff_letters: i d


Wyckoff_letters: a c


species: Ca I Li

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Li Rb


species: I Na Ta

Wyckoff_letters_orig: a c


species: Cs I Mg

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Cs Na O

crystal_class_orig: tetragonal-scalenoidal


species: Cs Nb O


species: I Mg Ta

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Li Nb


species: Al Ba F

species_pp: Al Ba_sv F

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c c c

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

Wyckoff_letters: c c

Wyckoff_letters: c c c c c c

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


species: K O Si

species_pp: K_sv O Si

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: b h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i

Wyckoff_letters: b h


species: Mn O Sr

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a a b b b

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating

Wyckoff_letters: a a b b b


species: Cl Mg Nb


species: Cl Nb Rb


species: Mg O Pb

sg:
Pnma #62
Cmmm #65
Cmmm #65

sg2:
Pnma #62
Pnma #62
Pmmn #59

Wyckoff_letters_orig: c c d

Wyckoff_letters: f e


species: O Rb Ta

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Nb Pb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: b e

crystal_class: rhombohedral


species: Ba Ho S

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: I Li Pb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e g h

Wyckoff_letters: e g h


species: O Pb Rb


species: Ca O Ru

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Cl Li Nb

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

Wyckoff_letters_orig: i i

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

Wyckoff_letters: i i


species: K Nb O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e


species: Cu O V

Wyckoff_letters_orig: b f


species: Er O V

Wyckoff_letters_orig: a c c d

Wyckoff_letters_orig: a c

Wyckoff_letters: a c c d

Wyckoff_letters: a c


species: Ni O Yb

species_pp: Ni_pv O Yb

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sm Ti

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a a


species: Mn O Tb

Wyckoff_letters: c c


species: Cu Dy O

crystal_class: ditrigonal-scalahedral


species: Cu O Tb

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


species: Cu Er O


species: Cr O Pm

species_pp: Cr_pv O Pm


species: Ce Fe O

species_pp: Ce Fe_pv O

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: Ca Mg O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a e


species: Co Mn O

species_pp: Co Mn_pv O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: Cr O Ti

Egap_DOS_type: half-metal

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i i i i


species: Cu Mn O


Wyckoff_letters_orig: f g g g g

Wyckoff_letters_orig: a d f g

Wyckoff_letters: f g g g g

Wyckoff_letters: a d f g


species: O Pm V

species_pp: O Pm V_sv

Wyckoff_letters: b f


species: Cd Cs I

species_pp: Cd Cs_sv I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ce O Ti

species_pp: Ce O Ti_sv


species: Ca O Sr

Wyckoff_letters_orig: e f

Wyckoff_letters: e h


species: Co O Sn

species_pp: Co O Sn

sg2:
Fddd #70
Fddd #70
Fddd #70

crystal_class_orig: orthorhombic-bipyramidal


species: Co O Zn

species_pp: Co O Zn


species: Ca Cr O

Wyckoff_letters_orig: m n

Wyckoff_letters: a e

Wyckoff_letters: m n


species: Fe Ni O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Cu F

species_pp: Co Cu_pv F

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b a a c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a a c


species: Ca O V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Fe O


species: O W Zr

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Ge S Zn

species_pp: Ge_h S Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Nb O Sc


species: Cr O V


species: Co O V

species_pp: Co O V_sv


species: Mg O Ti

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: i i i


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Bi O Ti

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Ca O Ti

Wyckoff_letters_orig: a e


species: K O Te

species_pp: K_sv O Te

Wyckoff_letters_orig: e e e e e e e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e e e e e e

Wyckoff_letters: e e e e


species: Fe Nb O


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: b f

Wyckoff_letters_orig: h p

Wyckoff_letters: h p


species: Nb O Ti


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe Mg O


species: Co O Ti

species_pp: Co O Ti_sv

crystal_class: tetragonal-scalenoidal


species: Mn Ni O

crystal_class: orthorhombic-bipyramidal


Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ni O W

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: O Pb Rh

sg2:
Imma #74
Imma #74
Imma #74


species: O Sr Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co O Zn

crystal_class: ditetragonal-dipyramidal


species: Mg Ni O


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: a i i i

Wyckoff_letters: a i i i


species: Nb O W

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

crystal_class: hexoctahedral

Wyckoff_letters: a f


species: Nb O Zr


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters: a e


species: Ca Mn O


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: a d

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: a d

Wyckoff_site_symmetries: mmm mmm


species: Co O Zr

species_pp: Co O Zr_sv


species: Cr Nb O


species: O Sc Ti


species: Cd Mn O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Co O W

species_pp: Co O W_pv


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: c h p

Wyckoff_letters: c h p


species: Cr Mn O


species: O Ti W

Wyckoff_letters_orig: i i i


species: Ge Sn Te

species_pp: Ge_h Sn Te

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mg O V

crystal_class_orig: dihexagonal-dipyramidal


species: Ca O Ti


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: b d

Wyckoff_letters: i i

Wyckoff_letters: b d


species: Cd Cs I

species_pp: Cd Cs_sv I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Br Li Mn

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k

Wyckoff_letters: b f


species: O Ti Zr

sg2:
Immm #71
Immm #71
Immm #71


species: Fe O V

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca Mn O


species: Fe Mg O

crystal_class_orig: ditrigonal-scalahedral


species: Cr O Ti


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Co O Sc

species_pp: Co O Sc_sv


species: Bi O Ti

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: O W Zr

crystal_class_orig: ditetragonal-pyramidal


species: Mg O Sc


species: O V W

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mn O Sr


species: Mn O V

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: Nb O V


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Mn O Ti

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

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

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


species: Ca Cd O

species_pp: Ca_sv Cd O

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: f i

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Wyckoff_letters: c e

Wyckoff_letters: f k


species: Ca O Sr

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mn O W

crystal_class: dihexagonal-dipyramidal


species: Cd Cl Ga

species_pp: Cd Cl Ga_h

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: O V Zr


species: Cr O Sc


species: Ca Ni O

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: O Pr Ti

species_pp: O Pr Ti_sv


species: Nb O Zr


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Cr Mn O

Wyckoff_letters_orig: b e e

Wyckoff_site_symmetries_orig: -1 m m

Wyckoff_letters: b g


species: Fe O Ti

crystal_class: orthorhombic-pyramidal


species: Ca O Ti


species: Fe O Zr


species: Cr O Zn

species_pp: Cr_pv O Zn


species: O Sc V


Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Cr Ni O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i


species: Fe Nb O


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: a b


crystal_class: ditrigonal-scalahedral


species: Ca Cd O


species: Ge Mn O


species: Ca Co O

species_pp: Ca_sv Co O


species: Co Mg O

species_pp: Co Mg_pv O


species: Ca O V


species: Pb Sc Se

Wyckoff_letters_orig: c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c


species: Cr Mg O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b i

Wyckoff_letters_orig: i i i

Wyckoff_letters: c n

Wyckoff_letters: m n n


species: Ni O Zn

species_pp: Ni_pv O Zn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: f h i


species: Ca O Zr

Wyckoff_letters: a b


species: O Pb Ti

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: d h

Wyckoff_letters: c b


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Nb O V

crystal_class: tetragonal-dipyramidal


species: Mg O W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Fe O Sr


species: O Ti W

Wyckoff_letters_orig: b c e


species: O W Zr


species: Mg Nb O

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Cd O Sn

species_pp: Cd O Sn

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: a h


species: Cd O Sc

species_pp: Cd O Sc_sv

sg2:
Cmce #64
Cmce #64
Cmce #64

crystal_class_orig: orthorhombic-bipyramidal


species: Mg O Sc


species: Ca Nb O

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Nb O Sc


species: Fe O Zn

species_pp: Fe_pv O Zn

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Fe O V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr O Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class_orig: orthorhombic-pyramidal


species: O Sc V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Li Mg N


species: Ca I Li

Wyckoff_letters: a a a a


species: Mn O Sc


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: Mg O Zn

species_pp: Mg_pv O Zn

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Mg Pb Te

Wyckoff_letters_orig: a e


species: Cd O Zn

species_pp: Cd O Zn


species: Ca Cr O

crystal_class_orig: diploidal

Wyckoff_letters_orig: f h

crystal_class: diploidal

Wyckoff_letters: f h


species: O Sc Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: d i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: d i


species: Fe Ni O

crystal_class_orig: hexoctahedral


species: O Os Pd

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: d d

Wyckoff_letters: a c


species: Co Mg O

crystal_class_orig: ditrigonal-scalahedral


species: O V Zn

species_pp: O V_sv Zn


species: Cr Mn O

crystal_class: ditetragonal-dipyramidal


species: O Sc Sr


species: Nb O Sr


species: O Sr Zr

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c c


species: O V W

crystal_class_orig: monoclinic-prismatic


species: O Ti Zn

species_pp: O Ti_sv Zn


Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i

Wyckoff_letters: i i j


species: O Sr V

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: g i i j

Wyckoff_letters: i i

Wyckoff_letters: g i i j


species: Cr O V


species: O W Zn

species_pp: O W_pv Zn


species: Co Mn O

species_pp: Co Mn_pv O


crystal_class_orig: monoclinic-domatic

crystal_class: monoclinic-domatic


Wyckoff_letters_orig: b f

crystal_class: hexoctahedral


species: Ca F Sc

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cd O Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Mg O

sg:
Pnna #52
Cmcm #63
Cmcm #63

sg2:
Pnna #52
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: d e

Wyckoff_letters: c f


species: Mg O Zr


species: Cr Ni O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca O Zr

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mn O Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e e

Wyckoff_letters: f f f

Wyckoff_letters: e e


species: Cd Mg O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j

crystal_class: dihexagonal-dipyramidal


sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: c a m

Wyckoff_site_symmetries_orig: mmm mmm ..2

Wyckoff_letters: c a m

Wyckoff_site_symmetries: mmm mmm ..2


species: Fe O W

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: Cr O W

sg:
Imma #74
Imma #74
Imma #74


species: O Sr Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni O Ti

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: a c

Wyckoff_letters: c c d

Wyckoff_letters: a c


species: O V Zr


species: O Ti V


species: Fe Nb O


species: Cr Si Tb


species: Co O Sr

species_pp: Co O Sr_sv


species: Ni O Zr


species: O Sc Sr


species: Au Li Sn

species_pp: Au Li_sv Sn

crystal_class_orig: dihexagonal-dipyramidal


species: Ca O Sc


species: Co Mn O

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cr O V

Wyckoff_letters_orig: i i


species: Mg O Sc

Wyckoff_letters_orig: a b b b

Wyckoff_letters_orig: b b c c c c c c

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b b

Wyckoff_letters: b b c c c c c c

Wyckoff_letters: a b c


species: Cr Nb O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: a i

Wyckoff_letters: a e


species: Ag O Pt

species_pp: Ag O Pt

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: d h

Wyckoff_letters: c a

Wyckoff_letters: m n

Wyckoff_letters: d h


species: O Sr W

crystal_class_orig: ditetragonal-dipyramidal


species: Cd O V

species_pp: Cd O V_sv

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: c i

Wyckoff_letters: i i j


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class_orig: tetragonal-dipyramidal


species: Mn O Ti

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: Cd O Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr Fe O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cd Mn O

species_pp: Cd Mn_pv O

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b b


species: Mg O Ti

Wyckoff_letters_orig: c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c


species: Co O Sc

species_pp: Co O Sc_sv


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe O Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mg O W

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c d

Wyckoff_letters: a c

Wyckoff_letters: c c d


species: O Zn Zr

species_pp: O Zn Zr_sv


species: O Pd Ti

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Fe O V


species: Cd O Sc

species_pp: Cd O Sc_sv


Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Fe O Sr

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a


species: Cr Nb O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Mn O Zr


species: Co Mn O


species: O W Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb O V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: b g

Wyckoff_letters: e f l


species: Nb O Sn

species_pp: Nb_sv O Sn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: d h


species: Ni O Sn

species_pp: Ni_pv O Sn


species: O Sc Sn

species_pp: O Sc_sv Sn


species: Mg O W


species: Ce Sn Zn

species_pp: Ce Sn Zn


species: Nb O Ti

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: a d


species: Co Ni O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ni O Ti

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: ditrigonal-scalahedral


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


crystal_class_orig: tetragonal-scalenoidal


species: Mg O V


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: F Mg Sc

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Mg O Zn

species_pp: Mg_pv O Zn

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: O Sc Ti

Wyckoff_letters_orig: h p

Wyckoff_letters_orig: a f

Wyckoff_letters: h p

Wyckoff_letters: a f


species: Fe O V

Wyckoff_letters_orig: c a


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters: b c


species: Ca O Ti

sg:
Immm #71
Immm #71
Immm #71


species: Fe O W

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Ca Fe O

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Cr O Zn

species_pp: Cr_pv O Zn


Wyckoff_letters_orig: a a a


species: O Sc Sr

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Nb O Zn

species_pp: Nb_sv O Zn

crystal_class_orig: ditrigonal-pyramidal


species: O Sc Sn


species: Co Ni O

species_pp: Co Ni_pv O


species: F Hf N

species_pp: F Hf_pv N

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Fe O Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co Cu O

species_pp: Co Cu_pv O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Mg O Sc


species: Nb O Ti

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c


species: Bi O Ti

Wyckoff_letters_orig: d i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: d i


species: Ca Co O

species_pp: Ca_sv Co O


species: O Sr Ti

Wyckoff_letters_orig: a i


species: Ca O W


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j


species: Ca Cr O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Nb O W

crystal_class: tetragonal-dipyramidal


species: Cr Mn O


species: Mg O Sr

crystal_class: ditetragonal-dipyramidal


Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Mn O Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co O W

species_pp: Co O W_pv


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd O Sc

species_pp: Cd O Sc_sv

sg:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic


species: Co Mn O

species_pp: Co Mn_pv O


species: Mn O Sn

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f f


species: Cr O Sr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr Fe O


species: Ca O V

crystal_class_orig: ditetragonal-dipyramidal


species: Cd O Zn

species_pp: Cd O Zn


species: O Ti V

Wyckoff_letters_orig: c g

Wyckoff_letters: c i


species: Mg O V


species: Cl Li Ni

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: a f

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i

Wyckoff_letters: a f


species: Nb Ni O

crystal_class: orthorhombic-bipyramidal


species: Ca O W

Wyckoff_letters_orig: a b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b b


species: Mn Nb O

crystal_class: hexoctahedral


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: e g


species: Fe Mg O


species: O Sc W

Wyckoff_letters_orig: i i

Wyckoff_letters: i i

Wyckoff_letters: a i


species: Mg O Sr

aflow_prototype_params_list_relax: a b/a c/a


species: O Sr Zr


species: Cr O Zr

Wyckoff_letters_orig: b i i i

Wyckoff_letters: b i i i


species: Fe O Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Ti W

crystal_class: dihexagonal-dipyramidal


species: Ca Cr O

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Mn O

species_pp: Cd Mn_pv O


species: Br Rb Zr

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a d

Wyckoff_letters: e g

Wyckoff_letters: a d


species: Cd O W

species_pp: Cd O W_pv


species: Ca O Sr


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: a b d

Wyckoff_letters: b c


species: Ca Mn O


crystal_class_orig: orthorhombic-bipyramidal


species: Cr Mn O


species: Co Ni O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mn O Ti

sg:
Cmcm #63
Cmmm #65
Cmmm #65

sg2:
Cmcm #63
Cmcm #63
Cmmm #65

Wyckoff_letters_orig: f g

Wyckoff_letters: j g


species: Ni O Sr


species: Cd Fe O


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: F Li Zr

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: c e


species: Cd Co O

species_pp: Cd Co O

sg:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f f f g g

Wyckoff_letters: d f

Wyckoff_letters: e f

Wyckoff_letters: f f f g g


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: a b


species: O Sr W


species: Ni O W

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mn Nb O

Wyckoff_letters_orig: b c


species: Nb O Sr


species: Cd O W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Cu O

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: I K Ta

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: g g

Wyckoff_letters: i j

Wyckoff_letters: a c


species: I K Rb

Wyckoff_letters_orig: a c c

Wyckoff_letters_orig: c c

Wyckoff_letters: a c c

Wyckoff_letters: c c


species: I K Na

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: d i


species: Al Cu Zr

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC


species: Co O Sr

species_pp: Co O Sr_sv


species: Er Fe Ge


species: O Si Y

species_pp: O Si Y_sv

Wyckoff_letters_orig: e e e f f

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e f f

Wyckoff_letters: e e


species: O Pb Te

species_pp: O Pb_d Te

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e e e e

Wyckoff_letters: e e e e e


species: In Ni Y

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: b c


species: K S Y


species: Ag I O

species_pp: Ag I O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: Ba S Y

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: C Ga Sc


species: Ni Ti V


species: Li O Rb

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: h i


species: Mn P Tb

crystal_class_orig: trigonal-dipyramidal

Wyckoff_letters_orig: j j k k

Wyckoff_letters_orig: a j k

Wyckoff_letters_orig: c f

crystal_class: trigonal-dipyramidal

Wyckoff_letters: j j k k

Wyckoff_letters: a j k

Wyckoff_letters: c f


species: Na Nb O

Wyckoff_letters_orig: a c g

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a c g

Wyckoff_site_symmetries: mmm mmm 2mm


species: Nb O Rb


species: I K Nb

sg:
Pnma #62
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c c


species: F Nb Pb

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

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a


species: K Nb O

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Nb Rb

Wyckoff_letters_orig: f e g

Wyckoff_letters_orig: b a

Wyckoff_letters: e f g

Wyckoff_letters: a b


species: Cs I Nb

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: I Na Pb


species: Ca O Ta

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Li Nb O


species: Ga Ni O

sg2:
Pban #50
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: c a

Wyckoff_letters_orig: h g m

Wyckoff_letters: h g

Wyckoff_letters: c a

Wyckoff_letters: h g n


species: Co Er O

species_pp: Co Er_3 O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ce Ni O

species_pp: Ce Ni_pv O

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: a d g

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: b d

Wyckoff_letters: a d g


species: Cl K Rb

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Ca Cs F

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr O Tb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: O Pr V

species_pp: O Pr V_sv

Wyckoff_letters_orig: h n

Wyckoff_letters_orig: a b c

Wyckoff_letters: h n

Wyckoff_letters: a b c


species: Fe O Zr

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: b b

crystal_class: rhombohedral


species: O Pm Ti

species_pp: O Pm Ti_sv

crystal_class_orig: ditrigonal-scalahedral


species: Gd O Sm

species_pp: Gd O Sm_3

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Co O Pm

species_pp: Co O Pm


species: Cr O V

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cr O Sc


species: Nb O Ti


species: O W Zn

species_pp: O W_pv Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: b c i i i


species: Mn O Zn

species_pp: Mn_pv O Zn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i i


species: O Sr Ti

crystal_class_orig: tetragonal-scalenoidal


species: F Li Sc

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cr O Zn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

Wyckoff_letters: b i


species: Cl Na Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Mg O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a b

Wyckoff_letters: b a

Wyckoff_letters: a b b a


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Mg O Ti

Wyckoff_letters_orig: b i


species: Ca Mn O


species: O Sc Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O Ti

crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a

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


species: Co O Sc

species_pp: Co O Sc_sv


species: O Ti Zn

species_pp: O Ti_sv Zn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mg O V

crystal_class_orig: ditrigonal-pyramidal


crystal_class_orig: ditetragonal-dipyramidal


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: c g h

Wyckoff_letters_orig: i j

Wyckoff_letters: d g h

Wyckoff_letters: i j


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Mg O Sc


crystal_class_orig: rhombohedral


species: Mg Se Zn

species_pp: Mg_pv Se Zn


species: Mn O Sr

Wyckoff_letters_orig: h g i

Wyckoff_letters: h g i


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: a f

Wyckoff_letters: e f f f f

Wyckoff_letters: e f


species: Cl Hf Na

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: e g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: f j


species: Hf O Tb

crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: b c e


species: Ca Cd O

Wyckoff_letters_orig: c f f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f f


species: Fe O Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Sc W


species: Ca Mg O


species: Co O Sr

species_pp: Co O Sr_sv


species: O Sr Zr


Wyckoff_letters: g h i


species: Ca O Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


species: Fe Mn O

Wyckoff_letters: c a


species: Ni O Sr

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters: e g


species: F Hf Hg

species_pp: F Hf_pv Hg

crystal_class: tetragonal-scalenoidal


species: Mn O Sc


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: c h

Wyckoff_letters: b d

Wyckoff_letters: c h


species: Mg Mn O

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Cr O Sr

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: O V W


species: Co O V

species_pp: Co O V_sv


species: Cr Nb O

sg:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a


species: Co Ni O

species_pp: Co Ni_pv O

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ca Cd O


species: Ni O Zn

species_pp: Ni_pv O Zn


Wyckoff_letters_orig: i i i

Wyckoff_letters: e e e


species: Bi O Ti

sg:
Imm2 #44
Immm #71
Immm #71

sg2:
Imm2 #44
Immm #71
Immm #71

crystal_class_orig: orthorhombic-pyramidal


species: Cd Co O

species_pp: Cd Co O

crystal_class: dihexagonal-dipyramidal


species: Pb Te Zn

species_pp: Pb_d Te Zn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Mg Nb O

crystal_class_orig: monoclinic-prismatic


species: Cd O V

species_pp: Cd O V_sv

sg2:
Immm #71
Immm #71
Immm #71


species: Cd O Sn

species_pp: Cd O Sn


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g

Wyckoff_letters: b g g


species: Cd O Zn

species_pp: Cd O Zn

crystal_class_orig: tetragonal-dipyramidal


species: Cr O V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: As Be Li


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Mg S Sn

species_pp: Mg_pv S Sn

crystal_class: tetragonal-dipyramidal


species: Ca Mg O

crystal_class_orig: monoclinic-domatic


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i


species: Cr Nb O

crystal_class_orig: tetragonal-scalenoidal


species: Fe O V

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a b

Wyckoff_letters: a a b b


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Co O Ti

species_pp: Co O Ti_sv

crystal_class: orthorhombic-pyramidal


species: Ge Sb Zr


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: b a a a b a

Wyckoff_letters_orig: a b a

Wyckoff_site_symmetries_orig: 1 m m m 1 m

Wyckoff_site_symmetries_orig: m 1 m

Wyckoff_letters: b a a a b a

Wyckoff_letters: a b a

Wyckoff_letters: a a

Wyckoff_site_symmetries: 1 m m m 1 m

Wyckoff_site_symmetries: m 1 m


species: Cd Fe O

species_pp: Cd Fe_pv O


species: F Ni Rb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b a a c

Wyckoff_letters: b a a d


species: Pb Sn Te

species_pp: Pb_d Sn Te

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class: ditrigonal-pyramidal


species: Ni O Sr

crystal_class: ditrigonal-scalahedral


species: Cr Mn O

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Mn O V

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn O Sc


species: Mn O Sn

species_pp: Mn_pv O Sn

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Ca O W


species: Mg O W


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: b k

Wyckoff_letters: g h n


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Ni O

crystal_class_orig: dihexagonal-dipyramidal


Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Co O Sn

species_pp: Co O Sn

crystal_class: rhombohedral


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Nb O Zr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: O Sc Sn

species_pp: O Sc_sv Sn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a


species: Co P V

species_pp: Co P V_sv

sg:
Pnma #62
Pnma #62
Pnma #62


species: Ca Mn O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca Fe O

Wyckoff_letters_orig: a c

crystal_class: hexoctahedral

Wyckoff_letters: a c


species: Cr Fe O


species: Cr O Zr

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: c d g

Wyckoff_letters: a e

Wyckoff_letters: e e

Wyckoff_letters: c d g


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: b d

Wyckoff_letters: i i

Wyckoff_letters: b d


species: Nb O Zn

species_pp: Nb_sv O Zn


species: Fe O W


species: Cd O W

species_pp: Cd O W_pv

sg2:
I4/mcm #140
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a h

Wyckoff_letters: f h i


species: F Rb Sc

crystal_class: orthorhombic-sphenoidal


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: a b


species: Mn O Sc

Wyckoff_letters_orig: c e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c e


species: Br Cs Re

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c c c


species: O Sn Zn

species_pp: O Sn Zn


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Ca Cr O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Co O V

species_pp: Co O V_sv

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: h p

Wyckoff_letters: a f

Wyckoff_letters: h p


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Bi O Ti

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a d

Wyckoff_letters: c h

Wyckoff_letters: a d


species: O Sr W

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: Co O Sn

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: b k

Wyckoff_letters: g h n


species: Mg O V

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cl Cs Mn

Wyckoff_letters_orig: c l

Wyckoff_letters: c l

Wyckoff_letters: a h


species: Fe O Ti

sg2:
Cmce #64
Cmce #64
P4/mmm #123


crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a


species: Ca Fe O

Wyckoff_letters_orig: i i i


species: Br Hf Li

crystal_class_orig: hexoctahedral


species: Eu O Tb

species_pp: Eu O Tb_3


species: O Zn Zr

species_pp: O Zn Zr_sv

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: O Sc V


species: Ba Fe O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b b

Wyckoff_letters: a a

Wyckoff_letters: b b

Wyckoff_letters: a a b b b


species: Mn O Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: i i j


species: Nb Ni O

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Au Rb Sn

species_pp: Au Rb_sv Sn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Ti Zn

species_pp: O Ti_sv Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca Cd O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ni O Ti

Wyckoff_letters_orig: i i i j

Wyckoff_site_symmetries_orig: m m m 1

Wyckoff_letters: i i i j


species: Ca O W


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Ni O Sr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Sn Sr

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd O V

species_pp: Cd O V_sv


species: O V W


species: Fe O Sc


species: Mg O W

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Nb O W

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: i i i


species: Cu F Ga

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ca Mg O


species: Cr O W

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cd O W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sc Zr

Wyckoff_letters_orig: c a


species: Ca Nb O


species: Nb O Zn


species: Cr Nb O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca O W


species: Ca Fe O

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i i i i i i


species: O Sn V

species_pp: O Sn V_sv


sg:
Cmcm #63
Pmma #51
Pmma #51


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: c c


species: O Sc Ta


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe Mg O


species: Fe Nb O

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Se Sn Zn

species_pp: Se Sn Zn

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: O Ti Zn

Wyckoff_letters: c f


species: Ca Mg O

crystal_class_orig: trigonal-trapezoidal


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu O Zr

crystal_class_orig: monoclinic-prismatic

Wyckoff_site_symmetries_orig: m m


species: O Sc Zr


species: Bi O Ti

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: i f

Wyckoff_letters: i f


species: Nb O Ti


species: Mg O Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d c

Wyckoff_letters: e h

Wyckoff_letters: b g

Wyckoff_letters: d c


species: Ca O Sr

Wyckoff_letters_orig: c f


species: Bi Cr O

Wyckoff_letters_orig: b e e


species: O Zn Zr


species: Co O Zn

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Pb Sn Te

species_pp: Pb_d Sn Te

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 Sn W

species_pp: O Sn W_pv


Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j


sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Cd Co O

species_pp: Cd Co O


species: Cd Ni O

species_pp: Cd Ni_pv O

sg:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Ge Mg S


species: Co O W

species_pp: Co O W_pv

sg:
I4/mmm #139
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Br Cu Ti

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: c d

Wyckoff_letters: a b


species: Cr O Sc

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ca Mg O


species: O Sc V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr O V


species: Cr Fe O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

Wyckoff_letters: b i


species: Ni O Zr


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j j j

Wyckoff_letters_orig: h i

Wyckoff_letters: g i

Wyckoff_letters: i i j j j

Wyckoff_letters: h i


species: Ca O Zr

Wyckoff_letters_orig: e f

Wyckoff_letters: c f


species: Cr O Sr


species: Br Cu Fe

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: a f

Wyckoff_letters: e l

Wyckoff_letters: a f


species: O Sc W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe O Sc

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cr Ni O

crystal_class_orig: tetragonal-dipyramidal


species: Fe Ni O

Wyckoff_letters_orig: b i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ge Pb S

Wyckoff_letters_orig: e g


species: Bi O Ti

crystal_class_orig: tetragonal-pyramidal

crystal_class: tetragonal-pyramidal


species: Ca Nb O

crystal_class: tetragonal-dipyramidal


species: Mg Mn O

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: O Sc Ti

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: O W Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca Cr O

Wyckoff_letters_orig: c f


species: O Sn Ti


species: Mn Ni O

Wyckoff_letters_orig: a b


species: Cr O Ti

Wyckoff_letters_orig: a a


species: Mn O Sr

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a b b a


species: Cd Ni O

Wyckoff_letters_orig: a c


species: Ca O Ti


species: Mn Nb O


species: Ca Co O

sg:
Cm #8
Cm #8
Cm #8

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_site_symmetries_orig: m m m m m m m m m 1 1 1

Wyckoff_letters: a a a b b b

Wyckoff_letters: a a a

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


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class_orig: triclinic-pinacoidal


species: Mg O V

crystal_class: monoclinic-prismatic


species: Ca O Sc


species: Cd O Sn

species_pp: Cd O Sn


species: O Sc W


species: Mn O W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn O V


species: O V W


species: Mn O Sn

species_pp: Mn_pv O Sn


species: Ca O Zr


species: Co O Sc

species_pp: Co O Sc_sv


species: Ca Mn O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: d g

Wyckoff_letters: a e

Wyckoff_letters: d g


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m


species: Ir O Pb

species_pp: Ir O Pb_d

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b c c

Wyckoff_letters: b b

Wyckoff_letters: a b c c


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters: a c


species: Ca O Ti

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: i h


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h

Wyckoff_letters: i i j

Wyckoff_letters: a h


species: Cr O Ti

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca Fe O

Wyckoff_letters_orig: a b b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b b


species: F Na Ta

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k

Wyckoff_letters: b f


species: Ag Bi I

species_pp: Ag Bi_d I


sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cr Ni O

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: O Sn Zn

species_pp: O Sn Zn

crystal_class: ditrigonal-scalahedral


species: Co O Sn

species_pp: Co O Sn


species: Fe Mg O

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Cs O S

species_pp: Cs_sv O S

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e e e

Wyckoff_letters: e e e e


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co Fe O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


Wyckoff_letters_orig: f f


species: Cr O W


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Fe Mn O

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O V W

Wyckoff_letters_orig: e f h k k

Wyckoff_letters_orig: a b f f k

Wyckoff_letters: e f h k k

Wyckoff_letters: a b f f k


species: Ca Mg O


species: O Sr Zr

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Ni O W


species: Mn Ni O

crystal_class: triclinic-pinacoidal


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: a f

crystal_class: hexoctahedral

Wyckoff_letters: a f


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: Cs F Sn

species_pp: Cs_sv F Sn


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: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Nb O Sr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d


crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: O Sn V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg O Ti

crystal_class: orthorhombic-bipyramidal


species: O Sn Zr

species_pp: O Sn Zr_sv

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Fe Mn O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a c

Wyckoff_letters: j i


species: Ni O Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg O Sc

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Nb O W


species: Cr O Ti


species: Co O W

species_pp: Co O W_pv


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Cr Ni O

crystal_class_orig: hexoctahedral


species: Cd O Sr


species: Cd O Sc

species_pp: Cd O Sc_sv

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a


species: Ca I Ta


species: Mn O W


species: Co O Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: b c


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: O Ti W

Wyckoff_letters_orig: a a a

Wyckoff_letters: a b a

Wyckoff_letters: b a


species: Mg S Sn

species_pp: Mg_pv S Sn

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h

Wyckoff_letters: i i j

Wyckoff_letters: a h


species: Fe O Sr

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Sn Ti

species_pp: O Sn Ti_sv

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Nb O Ti


species: Mg O Ti

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i i


species: Nb O Sn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co O Sn

species_pp: Co O Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Fe Ni O

Wyckoff_letters_orig: b c e

Wyckoff_site_symmetries_orig: mmm mmm mmm


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a f

Wyckoff_letters: e e

Wyckoff_letters: a f


species: Cr Mg O


species: Ge Se Zn

species_pp: Ge_h Se Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Sr W

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: c e


species: Fe O Zn

species_pp: Fe_pv O Zn


species: Ca O Sn

species_pp: Ca_sv O Sn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca In Ni

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Mg Mn O


species: Fe O Ti

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: F Hg Mn

species_pp: F Hg Mn_pv

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: O Ti Zr


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


Wyckoff_letters_orig: b c i i i

Wyckoff_letters: b c i i i


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters: a c


species: Fe Mg O

Wyckoff_letters_orig: e e f

Wyckoff_letters: e e f


species: I Mg Pb

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: b c

Wyckoff_letters: i j

Wyckoff_letters: b c


species: Ca I K

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ca Na O

Wyckoff_letters_orig: a a c

Wyckoff_letters: a a c


species: K Nb O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cs F Li

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a a b b

Wyckoff_letters_orig: a a b

Wyckoff_letters: a b

Wyckoff_letters: a a a b b

Wyckoff_letters: a a b


species: Co Ge Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co In Tb


species: K Mo O

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: c d d e e

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

Wyckoff_letters: c d d e e

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


species: Lu S Tl

species_pp: Lu S Tl_d

crystal_class_orig: ditrigonal-scalahedral


species: Br Nb Se

species_pp: Br Nb_sv Se

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cd P Se

species_pp: Cd P Se


species: Li O Ta

Wyckoff_letters_orig: a c


species: Ca Cl Rb

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cl Na Ta

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: a e j k l

Wyckoff_letters_orig: c g

Wyckoff_letters: a e j k l

Wyckoff_letters: c g


species: I K Mg

Wyckoff_letters_orig: c d


species: Mg Na O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ba P S

species_pp: Ba_sv P S


species: C Ni Zr

crystal_class_orig: dihexagonal-dipyramidal


species: Nb O Ta


species: C Nb S

species_pp: C Nb_sv S


species: I Li Mg

Wyckoff_letters_orig: g i

Wyckoff_letters: g j


species: Mg O Pb

Wyckoff_letters_orig: e e f f

Wyckoff_letters_orig: b e

Wyckoff_letters: e e f f

Wyckoff_letters: b e


species: I Na Pb

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: O Pb Ta

Wyckoff_letters_orig: a e e e

Wyckoff_letters: a e e e


species: K Li O


species: F Nb Rb

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters: c d


species: Ca Cu O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c b


species: Mn O Pm

species_pp: Mn_pv O Pm

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b b b


species: O Pm Ti

species_pp: O Pm Ti_sv

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: B Mn W

Wyckoff_letters_orig: b a

Wyckoff_letters: b a


species: Ce Cr O

species_pp: Ce Cr_pv O


species: Ce O Ti

species_pp: Ce O Ti_sv

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cu O Pr

species_pp: Cu_pv O Pr


species: Gd O V

species_pp: Gd O V_sv

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal

Wyckoff_letters: c c c


species: Ce Mn O

species_pp: Ce Mn_pv O

Wyckoff_letters: c c


species: O Sm Ti

Wyckoff_letters_orig: c l

Wyckoff_letters: c l


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: a b i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: a b i i i

Wyckoff_letters: i i


species: Cs O Pb

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cr Er O

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: b c

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: b c


species: Cu Dy O


species: Cu Er O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: e f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a c

Wyckoff_letters: e f


species: Gd Mn O

species_pp: Gd Mn_pv O

crystal_class_orig: ditrigonal-pyramidal


species: Cs I Pb

sg:
Ccce #68
Ccce #68
Ccce #68

sg2:
Ccce #68
Ccce #68
Ccce #68

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: b e i

Wyckoff_letters: a e

Wyckoff_letters: b e i


Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: b i i i j j j

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: 2/m m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i i

Wyckoff_letters: b i i i j j j

Wyckoff_letters: i i i


species: Ca Cs O


crystal_class: ditrigonal-scalahedral


species: Nd O Sm

species_pp: Nd O Sm_3

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: e k

Wyckoff_letters: e n


species: Ce O Sm

species_pp: Ce O Sm_3

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Cu O

species_pp: Co Cu_pv O

crystal_class_orig: tetragonal-scalenoidal


species: Cu O Sb

species_pp: Cu_pv O Sb

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i i


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Sn W

species_pp: O Sn W_pv

crystal_class: ditrigonal-pyramidal


species: Mn Ni O

sg2:
Immm #71
Immm #71
Immm #71


Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Bi O Ti

Wyckoff_letters_orig: a b h

Wyckoff_letters_orig: c c h h

Wyckoff_letters_orig: c c

Wyckoff_letters: a b h

Wyckoff_letters: c c h h

Wyckoff_letters: c c


species: Co Nb O

species_pp: Co Nb_sv O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co O Sr

species_pp: Co O Sr_sv

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mn O Sr

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e e g

Wyckoff_letters_orig: e e

Wyckoff_letters: a e

Wyckoff_letters: c e e g

Wyckoff_letters: e e


species: O Sr Zr

crystal_class: orthorhombic-pyramidal


species: Co Ni O

species_pp: Co Ni_pv O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: c g

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: c g


species: O V W

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Cr Mg O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Mg Pb S


species: Nb O Zn

species_pp: Nb_sv O Zn


species: Mn O W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Sc Zn

species_pp: O Sc_sv Zn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: Ca Mn O


species: Ni O Zr

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i

Wyckoff_letters: a i

Wyckoff_letters: i i


species: Cr O Zr

Wyckoff_letters_orig: b c e

crystal_class: hexoctahedral


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Co O V

species_pp: Co O V_sv


species: Fe Ni O


species: O W Zn

species_pp: O W_pv Zn


species: Mn O Sr


species: Bi O Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: g g

aflow_prototype_params_list_relax: a b/a c/a z3


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: Fe O Zr

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Ca Cr O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: e e e f f

Wyckoff_letters: a b

Wyckoff_letters: e e e f f