species: Fe O Sr


species: Cd Ni O

species_pp: Cd Ni_pv O

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: a c

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

Wyckoff_letters: a c


species: O Sr W

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: tetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: tetragonal-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: Mn O Sn

species_pp: Mn_pv O Sn

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Cd O Sc

species_pp: Cd O Sc_sv

crystal_class_orig: tetragonal-scalenoidal

point_group_structure_orig: dihedral

crystal_class: tetragonal-scalenoidal

point_group_structure: dihedral


species: Br Cd Li

species_pp: Br Cd Li_sv

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

Wyckoff_letters: c l

Wyckoff_letters: a h


species: Co Mg O

species_pp: Co Mg_pv O

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

lattice_system_relax: orthorhombic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: MCLC

Wyckoff_letters: j g


species: Ca 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: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Ca O Zn

species_pp: Ca_sv O Zn

crystal_class_orig: dihexagonal-pyramidal

point_group_type_orig: polar

aflow_prototype_params_list_relax: a c/a x3


species: Cr Mn O

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

crystal_system: trigonal

crystal_class: ditrigonal-pyramidal

point_group_type: polar

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL


species: Mg Mn O

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

lattice_system_orig: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-pyramidal

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_system_orig: orthorhombic

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: O Sc Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

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

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: a a


species: Ca Co O

species_pp: Ca_sv Co O

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: O V W

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co O Sn

species_pp: Co O Sn


species: Fe Mn O

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 O Zr

sg:
Ima2 #46
Pnma #62
Pnma #62

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters: c d


species: Cd Mg O

species_pp: Cd Mg_pv O

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

Wyckoff_letters_orig: a c i

Wyckoff_letters_orig: b i j

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

Wyckoff_letters: a c i

Wyckoff_letters: b i j


species: Co Cr O

species_pp: Co Cr_pv O

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Wyckoff_letters: j i


species: Mg O W


species: Mg O Sr

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF


species: Ca Nb O


species: Ca Mg O

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: trigonal-pyramidal

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral


Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

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: e e

Wyckoff_site_symmetries_orig: m m

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m


species: Hg O Re

species_pp: Hg O Re_pv

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


Wyckoff_letters_orig: a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b b


species: Co Nb O

species_pp: Co Nb_sv O


Wyckoff_letters_orig: a i

Wyckoff_letters: a i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Mg Nb O

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

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: O Sc V

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m


species: Ca Cd O

species_pp: Ca_sv Cd O

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

reciprocal_lattice_type_orig: TRI

Wyckoff_letters: e e e e


species: Cr Ni O


species: O Ti V


species: Cr Mg O

Wyckoff_letters_orig: c g h

Wyckoff_letters_orig: i j

Wyckoff_letters: c g h

Wyckoff_letters: i j


species: Nb O Sr

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral

aflow_prototype_params_list_orig: a c/a x3


species: Co Ni O

species_pp: Co Ni_pv O

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

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


species: O Sc W

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters: c e


species: Cd O V

species_pp: Cd O V_sv

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

Wyckoff_letters_orig: i i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

Wyckoff_letters: i i i i i


species: Co Fe O

species_pp: Co Fe_pv O

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET


species: Cd Co O

species_pp: Cd Co O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Co O W

species_pp: Co O W_pv


species: Cr O Zr

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic


species: Mg O Zr


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Mg O Zn

species_pp: Mg_pv O Zn

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c b


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Cs I Rb

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a a a

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: a a a


species: I Li Ta

crystal_class_orig: orthorhombic-sphenoidal

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

crystal_class: orthorhombic-sphenoidal


species: Ca Na O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a b b

Wyckoff_letters: a b


species: I Li Rb

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Na Nb O

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x3


species: Nb O Pb

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Li O Pb

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters_orig: i i i

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i i

Wyckoff_letters: i i i


species: Mg O Ta

Wyckoff_letters_orig: g g g g

Wyckoff_letters: g g g g


species: Nb O Rb

Wyckoff_letters_orig: e f

Wyckoff_letters: c e


species: Cu O Te

species_pp: Cu_pv O Te

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Li Mn O


species: B La O

species_pp: B_h La O

crystal_class_orig: ditrigonal-pyramidal


species: Ca Cs I

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters: e f


species: Ca O Ta


species: F Na Nb

Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: I Pb Rb

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

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


species: Li O Rb

crystal_class_orig: tetragonal-dipyramidal


Wyckoff_letters_orig: a b e h

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: d c


species: K Li O

Wyckoff_letters_orig: c e


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: C O Zn

species_pp: C O Zn


Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: K Nb O

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: Cs I Nb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cs Nb O

Wyckoff_letters_orig: c d


species: Ca F Nb

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a a a


species: Co Nb O

Wyckoff_letters: a c f h

Wyckoff_letters: i i i i i i


species: Cu Mg O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e e

Wyckoff_letters: a e

Wyckoff_letters: c e e


species: Li Mg O


species: Cr Cu O

Wyckoff_letters_orig: e e


species: Cu Mn O

Wyckoff_letters_orig: i f

Wyckoff_letters: i f


Wyckoff_letters_orig: c e d

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: g h h

Wyckoff_letters: c e d

Wyckoff_letters: a h

Wyckoff_letters: g h h


species: Dy Fe O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters: c a

Wyckoff_letters: d f


species: O Sm Ti

crystal_class_orig: tetragonal-pyramidal

crystal_class: tetragonal-pyramidal

Wyckoff_letters: a a a


species: O Tb V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Pr V

species_pp: O Pr V_sv

Wyckoff_letters_orig: e k

Wyckoff_letters: e k


species: Cl Cs Li

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b c

crystal_class: rhombohedral

Wyckoff_letters: a c f

Wyckoff_letters: b c


species: Na Nb O

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters_orig: h k

Wyckoff_letters: b f

Wyckoff_letters: h k


species: O Pb Ta

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: f f f e


species: Er O V


species: O Sm Tb

Wyckoff_letters: e n


species: Dy O V

Egap_DOS_type: metal

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: O Sm V

Wyckoff_letters_orig: c d e e g

Wyckoff_letters_orig: a e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d e e g

Wyckoff_letters: e e

Wyckoff_letters: a e


species: Er Fe O

Wyckoff_letters_orig: j j

Wyckoff_letters_orig: j j k

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: j j

Wyckoff_letters: j j k


species: Cr Gd O

species_pp: Cr_pv Gd O

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b

Wyckoff_letters: a b c c


species: Fe O Zn

species_pp: Fe_pv O Zn

Egap_DOS_type: insulator

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

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

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a

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


species: Co O Tb

species_pp: Co O Tb_3

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: b d

Wyckoff_letters: a d g

Wyckoff_letters: b d


species: Er O Ti

Wyckoff_letters_orig: e k

Wyckoff_letters: e k


species: Cu O Tb

Wyckoff_letters_orig: a a


species: Cd Cs I

species_pp: Cd Cs_sv I

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: d f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: d f


Wyckoff_letters_orig: e k k

Wyckoff_letters: e k k


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Mn Ni O

Wyckoff_letters_orig: a d c

Wyckoff_letters_orig: a e e

Wyckoff_letters: a c

Wyckoff_letters: a d e


species: Mg Mn O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ca Nb O


species: Fe O Sr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mn O Ti

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: a c

Wyckoff_letters: b c

Wyckoff_letters: d h


species: Cr Mn O

sg:
Cmcm #63
Cmcm #63
Amm2 #38

crystal_class_orig: orthorhombic-pyramidal


species: O Sn W

species_pp: O Sn W_pv


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class: hexoctahedral


species: Nb O V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sr Zn

species_pp: O Sr_sv Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: b e

Wyckoff_letters: i i i i

Wyckoff_letters: e b


species: Cr Ni O

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: Co O W

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a c m

Wyckoff_site_symmetries_orig: mmm mmm ..2

Wyckoff_letters: a c m

Wyckoff_site_symmetries: mmm mmm ..2


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


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: Fe Mn O

crystal_class_orig: ditrigonal-scalahedral


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Cr O Ti

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


crystal_class: dihexagonal-dipyramidal


species: Fe Mg O


species: Cl Cr Cu

Wyckoff_letters_orig: a a a a

Wyckoff_letters: c c d


species: Ni O Zr

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: g h

Wyckoff_letters: a f

Wyckoff_letters: g h


species: Bi O Ti

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Cr Nb O

Wyckoff_letters_orig: a i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i j


species: Fe O Zr

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: e f f f

Wyckoff_letters: e f f f


species: O Sn Zn

species_pp: O Sn Zn


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i

Wyckoff_letters: i i j


species: Co Cr O

species_pp: Co Cr_pv O

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: d b


species: Br Hg Zr

species_pp: Br Hg Zr_sv

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: O Ti W

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: c g

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: c g


species: Mg O V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O V Zn

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: O V W


Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c


species: Mg O Sc


species: Cd Co O

species_pp: Cd Co O


species: Fe Ni O

crystal_class_orig: trigonal-trapezoidal


species: Mn O W

crystal_class: ditrigonal-scalahedral


species: Ca O Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Mn O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Cd Mn O

species_pp: Cd Mn_pv O

crystal_class_orig: ditrigonal-pyramidal


species: S Sn Zn

species_pp: S Sn Zn

crystal_class: trigonal-trapezoidal


species: Ca O Sr

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a b


species: O Sc Sr


species: Nb O Ti


species: O Sn W


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Cr O Ti


species: Fe O Zr


species: Br Li Tl

Wyckoff_letters_orig: b a a c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a a c


species: Cr O Sc

crystal_class: ditrigonal-pyramidal


species: Cl Cs Hf

Wyckoff_letters_orig: e h


species: O V Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Nb O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Br Na Zr


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m


species: O Ru Tl


species: Pb Se Sn

species_pp: Pb_d Se Sn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Fe O Sr

Wyckoff_letters_orig: b c e

Wyckoff_site_symmetries_orig: mmm mmm mmm

Wyckoff_letters: e a

aflow_prototype_params_list_orig: a b/a c/a


species: Ca Nb 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: Al F Rb

species_pp: Al F Rb_sv

Wyckoff_letters_orig: e e e e

Wyckoff_letters: c d c


species: Co Cr O

Wyckoff_letters_orig: a a a

Wyckoff_letters: e e

Wyckoff_letters: c f


species: Ca O W

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-dipyramidal


species: Cl Tl Zr

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: a f

Wyckoff_letters: h i

Wyckoff_letters: a f


species: Mn O V

Wyckoff_letters: c c


species: Co O Sn

species_pp: Co O Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c


species: Ca O Zr


species: Cr O V


species: Mn O W

Wyckoff_letters_orig: b e e

Wyckoff_site_symmetries_orig: -1 m m

Wyckoff_letters: b g


species: O Ti W

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Fe O V

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Mn O Ti

Wyckoff_letters_orig: a c f


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: c a m

Wyckoff_letters: c a m


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Mg O Sr

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: Mn O Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Ni O W

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ni O Sn

species_pp: Ni_pv O Sn

crystal_class_orig: monoclinic-prismatic


species: Ni O Ti

Wyckoff_letters_orig: c a


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca Mg O


species: O Sr Ti


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Fe Nb O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co O Sn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr O W

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


species: Mg O Zn

species_pp: Mg_pv O Zn

Wyckoff_letters: i i i


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: a d

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: a b


species: O Sc Sr

Wyckoff_letters_orig: b g


species: Br Ni Tl

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: c g g g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e k i

Wyckoff_letters: a c

Wyckoff_letters: b j


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Ni O Zr

crystal_class_orig: ditrigonal-scalahedral


species: Cr O Zr


species: O V W


species: Cr Mn O


species: Cr Ni O

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


species: O Sc W

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn O Zr

Wyckoff_letters_orig: a g

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a g


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: e f f f

Wyckoff_letters: e f f f


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Mg Mn O


species: O V Zr

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: Fe O Sc

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Mn O Ti


species: Mg O Sr


species: Mn Nb O

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Cr Nb O

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: O Sc Sn

species_pp: O Sc_sv Sn


species: O Sc Ti

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a


species: Mg O Sn

species_pp: Mg_pv O Sn


species: F Mn Na

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Mn O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c

Wyckoff_letters: c c d


species: Cr Mn O


species: Fe Ni O


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters: g g


species: Ca O W


species: Er O Se

species_pp: Er_3 O Se


species: Mg Nb O

crystal_class: hexoctahedral


species: Cd Co O

species_pp: Cd Co O


species: Nb O Zr

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


Wyckoff_letters_orig: a c


species: Co O Sn

species_pp: Co O Sn


species: Al F Na

species_pp: Al F Na_sv

Wyckoff_letters_orig: b e

Wyckoff_letters: d e


species: Cd O W

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mn O W


species: Cd O V

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 a a a a

Wyckoff_site_symmetries: m m m m m


species: O Ti Zr

Wyckoff_letters_orig: a e


species: Mn O Sc


species: Cl K Ta

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: h k

Wyckoff_letters: b f


species: Mg S Sn

species_pp: Mg_pv S Sn


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: i i j j j

Wyckoff_letters: g i

Wyckoff_letters: h i

Wyckoff_letters: i i j j j


species: Cr O Sc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mn Ni O


crystal_class_orig: ditrigonal-pyramidal


species: Co Fe O

species_pp: Co Fe_pv O


species: Ni O Ti


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class: ditrigonal-scalahedral


species: O Re S

species_pp: O Re_pv S

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: c d d e e e e e

Wyckoff_letters_orig: c d

Wyckoff_letters: c d d e e e e e

Wyckoff_letters: c d


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Pb Se Sn

species_pp: Pb_d Se Sn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i i i i i


species: Nb O V

Wyckoff_letters_orig: b c e


Wyckoff_letters_orig: c c


species: Cr Nb O


species: Nb O Sr


species: O Sc Sr

Wyckoff_letters: a e


species: Ge Pb S

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f


species: Fe Nb O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: O V Zr

crystal_class: ditrigonal-pyramidal


species: Co O Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: a n

Wyckoff_letters: m n n


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: a b d

Wyckoff_letters: b a c


species: Ca O Zn

species_pp: Ca_sv O Zn


Wyckoff_letters_orig: a e f

Wyckoff_letters: a c f


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Ge Mg S


species: Ni O Zr


species: Fe O Sr

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: Ni O V

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: F K Ti


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: a e

Wyckoff_letters: d g


species: Fe Mg O


species: Cr Mn O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c c c


species: Ni O W

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Co Mn O

species_pp: Co Mn_pv O


species: O Sr Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Mn O


species: O Sc V

crystal_class_orig: dihexagonal-dipyramidal


species: Ca Fe O


species: Se Sn Zn

species_pp: Se Sn Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mg O Ti


species: Ca O Sr


species: O Sc Sn

species_pp: O Sc_sv Sn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cr Mg O

Wyckoff_letters_orig: a a

Wyckoff_letters: b i


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: orthorhombic-bipyramidal


species: Ca O Zn


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Cr O W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: c a

Wyckoff_letters: a c


species: F Na Ti

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: a f

Wyckoff_letters: e l

Wyckoff_letters: a f


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Cr Ni O

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: La Mn O

species_pp: La Mn_pv O

Wyckoff_letters_orig: b e e


species: Fe Mg O


species: Cu Nb O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: O Rh Yb

species_pp: O Rh_pv Yb


species: Nb O Sr

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: b f


species: Co O Zr


species: Ca O Sn

species_pp: Ca_sv O Sn

sg:
P4/nbm #125
Pban #50
Pban #50

sg2:
Pban #50
Pban #50
Pban #50


species: Cr O Ti

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b b


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Mn O


species: Cr O Sr

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: b e


species: Mn O Zr

Wyckoff_letters_orig: b f


species: Nb O Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Nb O Rh

crystal_class_orig: ditrigonal-scalahedral


species: Ni O W


species: Cr O V

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cr Mg O

Wyckoff_letters_orig: i i i


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Co O Zn

species_pp: Co O Zn


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: O Sc Ti

Wyckoff_letters: a d

Wyckoff_site_symmetries: mmm mmm


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Ni O Sn

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Bi O Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg O Ti


Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters: c h


crystal_class_orig: hexoctahedral


species: Cd O W


species: Ni O Zn

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: i i j j j

Wyckoff_letters: g i

Wyckoff_letters: h i

Wyckoff_letters: i i j j j


species: Ca Co O

species_pp: Ca_sv Co O


Wyckoff_letters_orig: a f

Wyckoff_letters_orig: h p

Wyckoff_letters: a f

Wyckoff_letters: h p


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: F Li Nb

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

crystal_class: trigonal-trapezoidal

Wyckoff_letters: e g


species: Mg O V


species: Nb Ni O

crystal_class: ditetragonal-dipyramidal


species: Mn O W

Wyckoff_letters_orig: a d


sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Ca Ni O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mg Ni O


species: Ni O Sc

Wyckoff_letters_orig: c g


species: Cr Mg O


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Nb O Zn

species_pp: Nb_sv O Zn


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ca O V


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i


species: Mg O Ti

Wyckoff_letters_orig: a b


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Ca Mg O

crystal_class_orig: rhombohedral


Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


species: Cu Si Ti

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63


crystal_class_orig: tetragonal-dipyramidal


species: O Sr W

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Mn O

crystal_class_orig: tetragonal-scalenoidal


species: Mn Ni O

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Pb Se Sn

species_pp: Pb_d Se Sn


species: Co O V

species_pp: Co O V_sv


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ge S Zn

species_pp: Ge_h S Zn


species: Br Cr Li


species: Cr O V

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Mn O Ti

Wyckoff_letters: a d


species: Cd Mn O


species: O Sn Zr

species_pp: O Sn Zr_sv


species: Fe O Sc

Wyckoff_letters_orig: h p

Wyckoff_letters_orig: b f

Wyckoff_letters: h p

Wyckoff_letters: b f


species: O Sc Sn


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Mg O W


species: F Ge Hg

species_pp: F Ge_h Hg

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters: f j


sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Ca O Sc

Wyckoff_letters_orig: a e


species: Co O Zr

species_pp: Co O Zr_sv


species: Ni O W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mg O Zn

species_pp: Mg_pv O Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Mg O Sn


species: Mg Mn O


species: Mn Nb O


species: Fe O V


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Ca O Zr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: d a


species: O V W

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Co O Sr

species_pp: Co O Sr_sv


species: Ca Co O

species_pp: Ca_sv Co O

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c c

Wyckoff_letters: c c d d


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i

Wyckoff_letters: i i j


species: Bi O Ti


species: Fe O W


species: O Sr W


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: i i i

Wyckoff_letters: a n

Wyckoff_letters: m n m


species: Mn O W


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cr O Sc

sg:
Cmcm #63
Cmcm #63
Cmmm #65

sg2:
Cmcm #63
Cmcm #63
Cmmm #65

Wyckoff_letters: g j


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: b k

Wyckoff_letters: g h n


species: Fe O Sc

Wyckoff_letters: i i i


species: O W Zn

species_pp: O W_pv Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Al Cl Tl

species_pp: Al Cl Tl_d

Wyckoff_letters_orig: e l

Wyckoff_letters: e l


species: O Ti Zr


species: Mg O Sc

Wyckoff_letters_orig: c g

Wyckoff_letters: c e


species: Ni O V

Wyckoff_letters_orig: b c e


species: Mn O Zn

species_pp: Mn_pv O Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Fe Ni O

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b c c

Wyckoff_letters: b b

Wyckoff_letters: a b c c


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Mg O Zr


species: Cd Ni O


species: Cr O V

crystal_class: orthorhombic-bipyramidal


species: Mg O Zn


species: Cl Cs Ta


species: Cd Co O

species_pp: Cd Co O


species: Mn O W

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cd O W

Wyckoff_letters: b g

Wyckoff_letters: e f l


species: Ca Ni O

Wyckoff_letters_orig: i i

Wyckoff_letters: h l


species: O V Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Nb O Zn

species_pp: Nb_sv O Zn


species: Cr Fe O

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: e f f f

Wyckoff_letters: f f

Wyckoff_letters: e f f f


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


species: Cd Cs I

species_pp: Cd Cs_sv I

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class_orig: ditrigonal-pyramidal


species: Mg Ni O

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Nb O

crystal_class: tetragonal-scalenoidal


species: O Rh Sb

species_pp: O Rh_pv Sb

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters: i i i


species: Mg S Zn

species_pp: Mg_pv S Zn


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mg O W

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Ca Cr O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: e e


species: Cd Fe O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a


species: O Sr W


species: Mg O Zn

species_pp: Mg_pv O Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr O Ti

crystal_class: hexoctahedral


sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a b b

Wyckoff_letters: a a b b

Wyckoff_letters: a a

Wyckoff_letters: a b b


species: K O Pb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: i i i

Wyckoff_letters: c a g

Wyckoff_letters: j i


species: I Li Pb

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: I Na Ta

Wyckoff_letters: i i


species: Mg Na O

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: a k

Wyckoff_letters: b g

Wyckoff_letters: a k


species: Eu Mn Sb

species_pp: Eu Mn_pv Sb

crystal_class_orig: ditrigonal-scalahedral


species: Li O V

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m m m m m m m

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e e e e

Wyckoff_letters: e e e

Wyckoff_site_symmetries: m m m m m m m m


species: Co Ho O

species_pp: Co Ho_3 O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li O Se

species_pp: Li_sv O Se

Wyckoff_letters_orig: c c c d d

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c d d

Wyckoff_letters: c c


species: Al B Re

crystal_class_orig: hexoctahedral


species: Fe Ge Zr

crystal_class_orig: dihexagonal-dipyramidal


species: O Pb Ta

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: a g

Wyckoff_letters: i j

Wyckoff_letters: a g


species: Cs I Rb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Na Nb O

crystal_class: tetragonal-trapezoidal


species: I In Rb

Wyckoff_letters_orig: b b b b

Wyckoff_letters: b b b b


Wyckoff_letters_orig: a a b b

Wyckoff_letters: k d c

Wyckoff_letters: b l

Wyckoff_site_symmetries: 2mm mmm mmm


species: Cs F Li

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: c i

Wyckoff_site_symmetries: 2/m m m


species: Cr Mn O

Wyckoff_letters_orig: a b e h

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: a d


species: Nb O Pb

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b c


species: Ga O V

Wyckoff_letters_orig: c g

Wyckoff_letters: c e


species: K Ni O

crystal_class: ditrigonal-scalahedral


species: Ce O Tb

species_pp: Ce O Tb_3

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: d i

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: d i


species: Cu Fe O


species: Ho O Ti

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: c g


species: O Sm Tb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca I Nb

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters: e e e e


species: Cu Ho O

Wyckoff_letters_orig: j j

Wyckoff_letters_orig: j j k

Wyckoff_letters: j j

Wyckoff_letters: j j k


species: Cl Na Nb

Wyckoff_letters_orig: d e

Wyckoff_letters: e d


species: O Sm V

Wyckoff_letters_orig: c e e g

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e

Wyckoff_letters: c e e g

Wyckoff_letters: e e

Wyckoff_letters: a e


species: Eu O Ti

species_pp: Eu O Ti_sv

Wyckoff_letters_orig: f i

Wyckoff_letters: f i


species: Cs I Pb

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Fe O Pr

species_pp: Fe_pv O Pr

Wyckoff_letters_orig: c e


species: Cr O W


species: Cr O Sc

crystal_class: dihexagonal-dipyramidal


species: Ca O Sr

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cd O Sr

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca Fe O

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: e f


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mg O W

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ni O V

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Mg O Zr


species: Nb O Sc

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Fe Mn O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


Wyckoff_letters_orig: a a a

crystal_class: ditrigonal-pyramidal


species: Co O Sn

species_pp: Co O Sn


species: Mn O Sr

Wyckoff_letters: c f


species: Pb Sn Te

species_pp: Pb_d Sn Te


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


Wyckoff_letters: c e


species: O V Zn

species_pp: O V_sv Zn


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Fe O V

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: c g

crystal_class: ditetragonal-dipyramidal


species: Mg Mn O


species: Fe O Sc

Wyckoff_letters_orig: a a


species: Cr O Sn

species_pp: Cr_pv O Sn


species: Fe O Sn

species_pp: Fe_pv O Sn


species: F Hf Li

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: b e

Wyckoff_letters: e e e

Wyckoff_letters: d e


species: Fe Ni O

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Sr V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Mg O V


species: Cd O Sn

species_pp: Cd O Sn


species: Pb Te Zn

species_pp: Pb_d Te Zn


species: Nb O Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni O Sr

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b b


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Nb O

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cl Cs Mn

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a b

Wyckoff_letters: c d

Wyckoff_letters: a b


species: Mg O W

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Nb O Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Sr W


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: i i j


species: Mn O Sn

species_pp: Mn_pv O Sn

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


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Cd Co O

species_pp: Cd Co O


species: Mg O Sr


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: C Co Fe

species_pp: C Co Fe_pv


species: O Sr Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mn Ni O

Wyckoff_letters_orig: a c m

Wyckoff_letters: a c m


species: Co O Sc

species_pp: Co O Sc_sv

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: b e e


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: i i i i i i i i

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c c c


species: Cl N S

species_pp: Cl N S

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Cr O Ti

crystal_class_orig: diploidal

Wyckoff_letters_orig: f h

Wyckoff_letters_orig: b e

crystal_class: diploidal

Wyckoff_letters: f h

Wyckoff_letters: b e


species: Ca Cr O


species: Cd Mn O

species_pp: Cd Mn_pv O


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni O Zn

species_pp: Ni_pv O Zn

crystal_class_orig: ditrigonal-pyramidal


species: Nb O Zr

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: Cu O Sr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cr O V


species: Mg O Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: c d e e

Wyckoff_letters: c d

Wyckoff_letters: c d e e


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: f f

Wyckoff_letters: a c

Wyckoff_letters: h h

Wyckoff_site_symmetries: .m .m


species: O Ti V

Wyckoff_letters_orig: c h p

Wyckoff_letters_orig: a f

Wyckoff_site_symmetries_orig: mmm 2mm ..m

Wyckoff_letters: c h p

Wyckoff_letters: a f

Wyckoff_site_symmetries: mmm 2mm ..m


species: Bi O Ti

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Fe O Sc


species: Cd O Sc

species_pp: Cd O Sc_sv

sg:
Cmme #67
Pmmm #47
Cmme #67


species: Cr Mg O


species: Mg O Zn

species_pp: Mg_pv O Zn

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Co Nb O

species_pp: Co Nb_sv O

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: hexoctahedral


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni O Ti

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Mg Nb O

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Ca O Sc


species: O Ti Zr

crystal_class: orthorhombic-pyramidal


species: Cd Co O

species_pp: Cd Co O

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Nb O Zn

species_pp: Nb_sv O Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ca O V

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Pb S Sn

species_pp: Pb_d S Sn


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Fe O Sr


species: Cr O Sr

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal


species: Nb O Sc

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

sg2:
Cmce #64
Cmce #64
Cmce #64

crystal_class_orig: orthorhombic-bipyramidal


species: Cd O Sc

sg:
Cmmm #65
Cmmm #65
Cmmm #65


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


Wyckoff_letters_orig: d i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: d i


species: O Sn Ti

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Co Cr O

species_pp: Co Cr_pv O


species: Fe O Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr O Pr

species_pp: Cr_pv O Pr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca O Zn

species_pp: Ca_sv O Zn

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


Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Mn O Zr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a b

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a b

Wyckoff_letters: a a b

Wyckoff_letters: c c c

Wyckoff_letters: a b


species: Nb Ni O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: b i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: i i

Wyckoff_letters: b i i i

Wyckoff_site_symmetries: 2/m m m m


species: Cl Cr Tl

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: a c

Wyckoff_letters: e h i

Wyckoff_letters: a c


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co O Zn

species_pp: Co O Zn

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: O Sc V

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Mg O Sr


species: Ca O Sc


species: Ca O V


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class_orig: tetragonal-scalenoidal


species: Cr Fe O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe O W


species: Cr O Sc

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Cr O Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni O V

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca Mn O

Wyckoff_letters_orig: a a a

Wyckoff_letters: c f


species: Cd O Sc

species_pp: Cd O Sc_sv


species: In O Os


species: Cr O Sn

species_pp: Cr_pv O Sn


species: Cd O V

species_pp: Cd O V_sv


Wyckoff_letters_orig: c f


species: O Ti V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: b c e


species: Mn Si Ta

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: F Li Sc

Wyckoff_letters: a d


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: O V W

sg2:
Ama2 #40
Cmcm #63
Cmcm #63


species: Cu F Ta

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: O Sc V

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Mg Pb S

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ca Fe O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: i i


species: Cr O W

crystal_class: ditrigonal-pyramidal


species: Co Si Yb

species_pp: Co Si Yb

crystal_class: ditetragonal-dipyramidal


species: Mg Ni O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Ni O W

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cs I Nb

sg:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters: a a a


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe O W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn Nb O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Nb O V

Wyckoff_letters_orig: c c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a c

Wyckoff_letters: c c d


species: Ca O Zn

Wyckoff_letters_orig: a d


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg Nb O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Fe O V

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca O V


species: Sn Te Zn

species_pp: Sn Te Zn


species: O Sc W


crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a

crystal_class: triclinic-pedial


species: Cu In La

crystal_class_orig: ditetragonal-dipyramidal


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Nb O W

sg:
Pmmn #59
Pmmn #59
Immm #71

sg2:
Pmmn #59
Pmmn #59
Imm2 #44

Wyckoff_letters_orig: b e


species: Ca Cd O

species_pp: Ca_sv Cd O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: g g g h

Wyckoff_letters: g g g h


species: Mg O Zn

species_pp: Mg_pv O Zn

Wyckoff_letters: i i


species: Nb O Sr


species: Cd Mn O

species_pp: Cd Mn_pv O


Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c g h

Wyckoff_letters: i j

Wyckoff_letters: c g h


species: Nb O Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a

Wyckoff_letters: d c c d c


species: Co Nb O

species_pp: Co Nb_sv O


species: Cr Mn O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ge Se Zn

species_pp: Ge_h Se Zn

Wyckoff_letters_orig: a f


species: Mg O Ti

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Fe O Sr


species: Mn O Sc

crystal_class_orig: ditrigonal-pyramidal


species: Mg O Sc

Wyckoff_letters: a a a


species: O V Zn

species_pp: O V_sv Zn

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Fe Mn O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca Mg O

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Ca O Zr


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i

Wyckoff_letters: a d


species: O W Zn

species_pp: O W_pv Zn


species: F Fe Hf

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: O Zn Zr

species_pp: O Zn Zr_sv


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Ca Nb O


species: Cr O W

Wyckoff_letters: a a


species: Bi O Ti

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Ca Fe O


species: Co Ni O

species_pp: Co Ni_pv O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e e

Wyckoff_site_symmetries_orig: m m m m m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e e

Wyckoff_site_symmetries: m m m m m m m


species: Cr Mg O


species: Ni O V

Wyckoff_letters_orig: a i

Wyckoff_letters: i i

Wyckoff_letters: a i


Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cr O Ti

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ge Se Sn

species_pp: Ge_h Se Sn

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: b c

Wyckoff_letters: a c

Wyckoff_letters: d h

Wyckoff_letters: b c


species: Se Sn Zn

species_pp: Se Sn Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cd Mn O


species: O Ti Zr


species: Ca O Ti


species: Fe Mn O


species: Cd O V

species_pp: Cd O V_sv


species: Nb O Sc


species: Ca O Sc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: O Sc Ti

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c c


Wyckoff_letters_orig: b e e

Wyckoff_letters: b e e

Wyckoff_site_symmetries: -1 m m


species: Mg Mn O


species: Mn O Sr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a b c c

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

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b c c

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

Wyckoff_letters: c c c


species: Pb Se Sn

species_pp: Pb_d Se Sn

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Cd Fe O

species_pp: Cd Fe_pv O


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class: orthorhombic-pyramidal


species: Co O Sr

species_pp: Co O Sr_sv


species: Fe O V

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: Ca Mn O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


species: Ca O W

crystal_class_orig: tetragonal-scalenoidal


species: Mg Pb Se

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cr O Sc

crystal_class_orig: tetragonal-dipyramidal


species: Fe O Sc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Pb S Sn

species_pp: Pb_d S Sn


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: i i j j j

Wyckoff_letters: g i

Wyckoff_letters: h i

Wyckoff_letters: i i j j j


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd O Zn

crystal_class: ditrigonal-scalahedral


species: Ge Mg S

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

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

Wyckoff_letters: f i h


species: Ca O Sr

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Br K Sc

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Cd O V

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mg S Zn

species_pp: Mg_pv S Zn

Wyckoff_letters_orig: d g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: d g


species: Co O Sc

species_pp: Co O Sc_sv

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca Cd O

species_pp: Ca_sv Cd O


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Nb O W


species: Mg O Zn

species_pp: Mg_pv O Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Sn W

species_pp: O Sn W_pv


species: Ca Fe O

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: Ca Mg O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: d i

Wyckoff_letters: i i j


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Pr V

species_pp: O Pr V_sv


species: Ni O Sc

crystal_class_orig: ditrigonal-scalahedral


species: Hg Mo O

species_pp: Hg Mo_pv O

crystal_class: tetragonal-dipyramidal


species: Ca O Sc


species: Ca O Ti


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cr Mg O


species: Cl Ti Tl

Wyckoff_letters_orig: b a a c

Wyckoff_letters: c e f


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Mn O Sn

species_pp: Mn_pv O Sn


species: Mg O Sr

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cr O Sr

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: B Gd Pt

species_pp: B_h Gd Pt

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca O Sn


Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Ca O W

Wyckoff_letters_orig: b i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: b i i i

Wyckoff_letters: i i


species: Mn O Ti


Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Nb O V

crystal_class: ditrigonal-pyramidal


species: Cr Mn O


species: O Ti W


species: Fe Mn O

Wyckoff_letters_orig: b c i i i

Wyckoff_letters: b c i i i


Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c h p

Wyckoff_letters: a f

Wyckoff_letters: c h p


species: Ni O Sc

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr Nb O


species: Co Cr O

crystal_class: ditetragonal-dipyramidal


species: Ca Ni O


species: Fe O Sc


species: Ca Fe O

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: i h

Wyckoff_letters: i h


species: Ca Cd O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Dy O


species: Fe O V


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: a b


species: O Sr Ti


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Nb O Ti

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn O W


species: Bi O Ti


species: Fe Mg O


species: Ca O Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn O Sc


species: Fe Mn O

Wyckoff_letters_orig: a e


species: Mn O Sr

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

aflow_prototype_params_list_relax: a b/a c/a


species: Co O V

species_pp: Co O V_sv

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c c c c c


species: Ca O Sn

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O V Zn

species_pp: O V_sv Zn


sg:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Co O Sr

species_pp: Co O Sr_sv

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c d d

Wyckoff_letters: e l l


species: Mn O Sn


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Nb O Sc


species: Co Nb O

species_pp: Co Nb_sv O


species: Mg Te Zn

species_pp: Mg_pv Te Zn

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Cr O Zr


species: Fe O V

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: Co O W

species_pp: Co O W_pv

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a c


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species_pp: Ca_sv O Sn

sg:
Cm #8
Pnma #62
Pnma #62

sg2:
Pm #6
Pnma #62
Pnma #62

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a b b c c c c

Wyckoff_letters_orig: c c


species: Cr Mg O

Wyckoff_letters_orig: a h


species: Fe O W


species: O Sc W

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Cr O Sc

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c a h

Wyckoff_letters: i j

Wyckoff_letters: d a h


species: Cl Hg K

species_pp: Cl Hg K_sv

Wyckoff_letters_orig: c l

Wyckoff_letters: c l


species: Ge Te Zn

species_pp: Ge_h Te Zn


species: Ca Cr O

crystal_class: ditetragonal-pyramidal


species: Cr O Ti

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Ti W

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: a b

point_group_Schoenflies: T

point_group_structure: alternating

Wyckoff_letters: a a b b

Wyckoff_letters: a b

Wyckoff_letters: a a


species: Ca O Sn


species: Co O Sr

crystal_class: orthorhombic-bipyramidal


species: Mn O Ti

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Co Cu O

species_pp: Co Cu_pv O


species: K O Pb

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Li Nb O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


crystal_class_orig: dihexagonal-dipyramidal


species: Ca O Ta

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i i i

Wyckoff_letters: a i j


species: I Mg Ta

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c e g

Wyckoff_letters: c e g


species: Li Mg O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a b e h

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: f f e e


species: Na Nb O


species: Nb O Ta

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b c

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: b c


species: Fe O P

species_pp: Fe_pv O P

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d d d d

Wyckoff_letters: a d

Wyckoff_letters: c d d d d d


species: Ag C N

species_pp: Ag C N


species: Au Ce Zn

species_pp: Au Ce Zn


species: I Ir Te

species_pp: I Ir Te

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: K Mn O

Wyckoff_letters_orig: j k l

Wyckoff_letters_orig: j j k k l l

Wyckoff_letters: j k l

Wyckoff_letters: j j k k l l


species: Cl I W

species_pp: Cl I W_pv

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: d f f

Wyckoff_letters: d f

Wyckoff_letters: g g

Wyckoff_letters: d f f


species: Cu Ge Yb


species: Fe Sb Se

species_pp: Fe_pv Sb Se

crystal_class_orig: monoclinic-prismatic


species: Al Ca O

species_pp: Al Ca_sv O

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters: e e e e e e e e


species: Cl Rb Zn

species_pp: Cl Rb_sv Zn

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ir O Sr

species_pp: Ir O Sr_sv

Wyckoff_letters_orig: e e f f

Wyckoff_letters_orig: f f f f f f f f f f f f f f f f f

Wyckoff_letters_orig: f f f f f f f f f

Wyckoff_letters: e e f f

Wyckoff_letters: f f f f f f f f f f f f f f f f f

Wyckoff_letters: f f f f f f f f f


species: F Li Ta

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: a b

Wyckoff_letters: e e e e


species: F Nb Rb

Wyckoff_letters_orig: e g h

Wyckoff_letters: e g h

Wyckoff_letters: a b


species: Na O Pb

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: Cl Li Mg

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: h i

Wyckoff_letters: a e


species: Ca Cl Ta

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Eu O V

species_pp: Eu O V_sv

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Nb O Ta

Wyckoff_letters_orig: a i i i

Wyckoff_letters: a i i i


species: I Mg Rb


species: Li Nb O


species: O Pb Rb

Wyckoff_letters_orig: c d


species: Cl Li Pb

sg:
Pc #7
Pc #7
Pnnm #58

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: Ca I Pb

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g


species: Ce In Pd


species: Ca Cu O


species: Cu O V

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O Sm Ti

Wyckoff_letters_orig: c d e e g

Wyckoff_letters: c d e e g

Wyckoff_letters: e e


species: Mn O Sm


species: Gd O Ti

species_pp: Gd O Ti_sv

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e f f

Wyckoff_letters_orig: d e

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e f f

Wyckoff_letters: d e


species: Gd O Zn

species_pp: Gd O Zn


species: F K Na

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c


species: K Nb O

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e i

Wyckoff_letters_orig: e f i i i j

Wyckoff_letters: e i

Wyckoff_letters: e f i i i j


species: Cs Mg O


species: Ca I Na

Wyckoff_letters_orig: a g g h

Wyckoff_letters_orig: d h

Wyckoff_letters: a g g h

Wyckoff_letters: d h


species: Cs F Ta

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b a

Wyckoff_letters_orig: f e g

Wyckoff_letters: a b

Wyckoff_letters: f e g


species: Cr Gd O

species_pp: Cr_pv Gd O


species: Fe O Sm

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a a

Wyckoff_letters: c a

Wyckoff_letters: d f

Wyckoff_letters: c c


species: Fe O Tb

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: c k

Wyckoff_letters: k l

Wyckoff_letters: c k


species: Fe Hg S

species_pp: Fe_pv Hg S


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Sn W

species_pp: O Sn W_pv

crystal_class: monoclinic-prismatic


species: Cr O W


species: Fe O Sr

crystal_class_orig: tetragonal-dipyramidal


species: Mg Mn O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i i


species: Ni O Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: a d

Wyckoff_letters: i i i i

Wyckoff_letters: a d


species: Cd O V

species_pp: Cd O V_sv


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class_orig: ditrigonal-scalahedral


species: O Ru V

sg:
Pbam #55
Cmmm #65
Cmmm #65

sg2:
Pbam #55
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: h g

Wyckoff_letters: g j


species: Mn O Sr

Wyckoff_letters_orig: a a b

Wyckoff_letters: d b


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cd Mn O

species_pp: Cd Mn_pv O


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class: dihexagonal-dipyramidal


species: Nb O W

Wyckoff_letters: b b


species: Br Hg Sb

species_pp: Br Hg Sb

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: a f

crystal_class: hexoctahedral

Wyckoff_letters: a c


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: Cl Tl Zr

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e e

Wyckoff_letters: a e


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters: d i


species: O Si Th

species_pp: O Si Th_s

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Mn O V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sc Sr


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Ca Fe O


species: O Sr W

Wyckoff_letters_orig: h p

Wyckoff_letters_orig: b f

Wyckoff_letters: h p

Wyckoff_letters: b f


species: Mg Pb Se


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Nb O Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Sn Ti

crystal_class: ditrigonal-scalahedral


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Cr O W


species: Mn O Sc


species: Pb S Sn

species_pp: Pb_d S Sn

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters: h g


species: Cr O Sr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c c


species: Mn O Ti

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: b c i i i


species: Cr O V


species: Cd O Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Er Hf O

crystal_class_orig: hexoctahedral

Wyckoff_letters: a f


species: Mg Sn Te

species_pp: Mg_pv Sn Te

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Pmmn #59
Immm #71

Wyckoff_letters_orig: b e

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


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Nb O V

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ag Bi I

species_pp: Ag Bi_d I


species: Fe Nb O

Wyckoff_letters_orig: c g h

Wyckoff_letters_orig: i j

Wyckoff_letters: c g h

Wyckoff_letters: i j


species: Cl Cu Nb

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: O Sr Zn

species_pp: O Sr_sv Zn


species: O Sb Tb

species_pp: O Sb Tb_3

Wyckoff_letters_orig: a f


species: Ca Fe O


species: Fe O Sc


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: In S Tl

crystal_class_orig: ditetragonal-dipyramidal


species: Fe Mn O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca O W


species: Cd Cr O

species_pp: Cd Cr_pv O

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class_orig: monoclinic-prismatic


species: Ni O W


species: Ni O Sr

sg2:
Imma #74
Imma #74
Imma #74

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Ir O Rh

species_pp: Ir O Rh_pv

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Mn O V


species: Fe Nb O


species: Ca O Sc


species: Au Nd Sn

species_pp: Au Nd Sn

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Cr Fe O


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Er O Pd


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters: j g


Wyckoff_letters_orig: b e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b e


species: Br K Sc

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Fe O Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co O Zr

species_pp: Co O Zr_sv


species: Cr O Sc


species: Mg Nb O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca O Ti


species: Mg O W


species: Co Ni O

species_pp: Co Ni_pv O


species: Ca O Zn

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters: c f


species: Fe Mg O

Wyckoff_letters_orig: m n

Wyckoff_letters: m n


species: Bi O Ti

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: i i i i


species: Mg O Sc

Wyckoff_letters_orig: b c e


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters: i i j


species: Co Mn O


species: Ni O Ti

Wyckoff_letters: g i

Wyckoff_letters: j i


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Pb Te Zn

species_pp: Pb_d Te Zn


species: Fe O Sn

species_pp: Fe_pv O Sn


species: F Na Ti

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters: f j


Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Cr Fe O

sg2:
Immm #71
Immm #71
Immm #71


Wyckoff_letters_orig: b e g

Wyckoff_letters: b e g


species: Mn Nb O

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f


species: Cd O Zr


species: Ca O W


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a j

Wyckoff_letters: i g h


species: O V W


species: Fe O Zn

species_pp: Fe_pv O Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f

Wyckoff_letters: c g


species: In O Ta


species: O Zn Zr

Wyckoff_letters_orig: a c f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a c f


species: O V Zn

species_pp: O V_sv Zn

crystal_class_orig: ditrigonal-scalahedral


species: O Sn Ti

species_pp: O Sn Ti_sv

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


species: Mg S Sn

species_pp: Mg_pv S Sn

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: Pb S Sn

species_pp: Pb_d S Sn

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O Sc W


species: Cr O Sc

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i


species: Ca Cr O


species: F Li Rb


species: Co Fe O


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ni O W


species: Ni O Sr

Wyckoff_letters_orig: a b e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: a b e

Wyckoff_letters: e e e e


species: O Sr Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Cr O Zr


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: a e


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb Ni O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Hg O V

species_pp: Hg O V_sv


species: Fe O Ti


species: Cr Nb O

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: Co O Sc

species_pp: Co O Sc_sv


species: O Sr Zr

Wyckoff_letters_orig: a b b

Wyckoff_letters: b f


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O Sn Zn

species_pp: O Sn Zn


Wyckoff_letters_orig: b i

Wyckoff_letters: d i


species: Li O Sn

species_pp: Li_sv O Sn

Wyckoff_letters_orig: a e f

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e e

Wyckoff_letters: a e f

Wyckoff_letters: f f f

Wyckoff_letters: e e


species: I In Te

species_pp: I In_d Te


species: Br Li Tl

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ca O Sc

Wyckoff_letters_orig: g g

aflow_prototype_params_list_relax: a b/a c/a z3


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: b e e

Wyckoff_letters: b e e


species: Ca O Sr

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: O Ti V

Wyckoff_letters_orig: a b


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe O Zn


species: O Sc Ti

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mn O W

Wyckoff_letters_orig: b c e


species: S Sn Zn

species_pp: S Sn Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg Sn Te

species_pp: Mg_pv Sn Te

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg O W


species: Ni O Ti


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cl Fe Hg

species_pp: Cl Fe_pv Hg

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: b e

Wyckoff_letters: e e e

Wyckoff_letters: d e


species: Mn Nb O


species: Ge Mg Te

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Br K Ti

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: b c

Wyckoff_letters: e h i

Wyckoff_letters: b c


species: Ca Co O

species_pp: Ca_sv Co O


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: a a a

Wyckoff_letters: c f


species: Br Fe Rb

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k

Wyckoff_letters: b f


species: O Sn Zn


species: O Sr Zn

species_pp: O Sr_sv Zn


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: Cr O Sc

Wyckoff_letters_orig: a e


species: Pb Te Zn

species_pp: Pb_d Te Zn


species: Cr O Sr

Wyckoff_letters_orig: g g


species: Cr Mg O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg O V

sg2:
Cmcm #63
Cmcm #63
P4/mmm #123


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Cr O

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: O Sc Sr


species: Cr Fe O

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: a b

Wyckoff_letters: i i i i i i i


species: Fe O Sn

species_pp: Fe_pv 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: Ca Fe O

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a

crystal_class: tetrahedral

Wyckoff_letters: a a b b

Wyckoff_letters: a a


species: Ca Mg O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca O V

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a


Wyckoff_letters_orig: b f

Wyckoff_letters_orig: h p

Wyckoff_letters: h p


species: Bi O Ti

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a


species: Ca Cd O

Wyckoff_letters_orig: a a c

Wyckoff_letters_orig: c c

Wyckoff_letters: e g


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ni O W

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Cl Ga Rb

Wyckoff_letters_orig: h k

Wyckoff_letters: h k

Wyckoff_letters: b f


Wyckoff_letters_orig: e f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f


crystal_class: dihexagonal-dipyramidal


species: Fe O V

Wyckoff_letters_orig: b c i i i

Wyckoff_letters: b c i i i


species: Mg O W

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb O W

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr O Zr

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters: c c


species: Mn O W


species: Mn O V

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f f f

Wyckoff_letters: c f

Wyckoff_letters: e f f f f


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O Sc W


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e f f

Wyckoff_letters_orig: a b

Wyckoff_letters: e e

Wyckoff_letters: e e e f f

Wyckoff_letters: a b


species: O Pt Sc

species_pp: O Pt Sc_sv

crystal_class: hexoctahedral

Wyckoff_letters: a f


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Fe O W


species: Se Sn Zn

species_pp: Se Sn Zn

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Ca Fe O


species: Ni O Sr


species: Cd O V

species_pp: Cd O V_sv


species: O Sr Zn


species: Cr O Ti

crystal_class_orig: tetragonal-scalenoidal


species: Cl Cu K

crystal_class_orig: ditetragonal-dipyramidal


species: Co O Sr


species: Cu O Zn

species_pp: Cu_pv O Zn

sg:
Pnma #62
Immm #71
Immm #71

sg2:
Pnma #62
Immm #71
Immm #71


species: Cr O Zn

species_pp: Cr_pv O Zn


species: O V W

Wyckoff_letters: b e


species: O Sc Ti


species: Cr Nb O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: ditetragonal-pyramidal


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Cd O Sc

species_pp: Cd O Sc_sv

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: O W Zn

species_pp: O W_pv Zn

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: diploidal

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

crystal_class: diploidal

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC


sg2:
Ama2 #40
Cmcm #63
Cmcm #63


species: Nb O Ti

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

crystal_class_orig: orthorhombic-bipyramidal


species: Cr Ni O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c c


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class_orig: ditrigonal-pyramidal


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a


species: Cd O W

species_pp: Cd O W_pv

crystal_class: tetragonal-scalenoidal


species: Co Fe O


species: Cr Mg O

Wyckoff_letters_orig: b e

crystal_class: ditrigonal-scalahedral


species: Ca Ni O


species: Mg S Sn

species_pp: Mg_pv S Sn

Wyckoff_letters_orig: a c m

Wyckoff_letters: a c m


Wyckoff_letters_orig: c e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c e


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Co O Sr

species_pp: Co O Sr_sv


species: Mn O Zr

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Co O W

species_pp: Co O W_pv

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

Wyckoff_letters: e a


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class_orig: ditrigonal-scalahedral


species: Mg O Sc

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Ca Mn O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c h p

Wyckoff_letters: c h p


species: Mg O Zr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Nb O Sn

species_pp: Nb_sv O Sn

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: b g

Wyckoff_letters: a c

Wyckoff_letters: b g


species: Ca O Sr

sg:
Ibam #72
Cmmm #65
Cmmm #65

sg2:
Ibam #72
Ibam #72
Cmmm #65


species: Mg O V


sg:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Ni O Zn

species_pp: Ni_pv O Zn


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca O Ti


species: Nb O V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni O W


species: Ag Bi I

species_pp: Ag Bi_d I

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Nb O Sr


species: Cr O Sc

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cr Mg O


species: O Ti Zn

species_pp: O Ti_sv Zn

sg:
Immm #71
Immm #71
Immm #71


species: Mg O Ti

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: a c i i i


species: Br H N

species_pp: Br H N


species: F K Ti

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: a d

crystal_class: trigonal-trapezoidal

Wyckoff_letters: e g

Wyckoff_letters: a d


species: O Sc Zr


species: O Sc Sr


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i i i i i


species: Cr Mn O

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Cr O Sr


species: Bi O Ti


species: Fe O V


species: Co O V

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: b d

Wyckoff_letters: i i

Wyckoff_letters: b d


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Ca Mg O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Co Nb O

species_pp: Co Nb_sv O

crystal_class: ditrigonal-pyramidal


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Co O Sr

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Ge Mg Se

Wyckoff_letters_orig: a e


species: S Sn Zn

species_pp: S Sn Zn

crystal_class: orthorhombic-bipyramidal


species: Cr Nb O

crystal_class_orig: trigonal-pyramidal


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Mn Ni O


species: Ca O Zn

species_pp: Ca_sv O Zn


species: O Sn V

species_pp: O Sn V_sv


species: Cd Ni O

species_pp: Cd Ni_pv O


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: ditetragonal-pyramidal


species: Cr O W

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b d

crystal_class: rhombohedral

Wyckoff_letters: a b d


Wyckoff_letters_orig: b f


species: Cd Fe O

species_pp: Cd Fe_pv O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: a a a

Wyckoff_letters: c f


species: Fe Mg O

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b b b

Wyckoff_letters: b b

Wyckoff_letters: a b b b


species: Cr O Sr

sg2:
Fddd #70
Fddd #70
Fddd #70


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class_orig: ditetragonal-dipyramidal


species: Mg O Sr

Wyckoff_letters: a e


species: O V Zr

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c g h

Wyckoff_letters: i j

Wyckoff_letters: d g h


species: Nb O Ti

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe O Sc

Wyckoff_letters_orig: a e e

Wyckoff_letters: a g


species: Ni O Sn

species_pp: Ni_pv O Sn


species: O V W

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr O Sn

species_pp: Cr_pv O Sn


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ca Cr O

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: O Sc Zn

species_pp: O Sc_sv Zn

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb O Zr


species: O V Zn

species_pp: O V_sv Zn

crystal_class_orig: tetragonal-scalenoidal


species: Mn Ni O


species: Bi O Ti

Wyckoff_letters_orig: b d


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca O W


species: Nb O Sr

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr Ni O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cd O V

species_pp: Cd O V_sv


species: Fe Ni O


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Ca Nb O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni O Sn

Wyckoff_letters: g k


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sc Ti


species: O Zn Zr

species_pp: O Zn Zr_sv


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Ti V

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: Sn Te Zn

species_pp: Sn Te Zn

crystal_class_orig: orthorhombic-bipyramidal


species: Ca O Sr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters: h g


species: Ca O Zr


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mg O V


species: Cr O Sn


species: Mg O W

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters: i i i


species: Fe Nb O

Wyckoff_letters: b d


species: Ca O Sc

crystal_class_orig: monoclinic-sphenoidal


species: Pb Sn Te

species_pp: Pb_d Sn Te


species: Bi O Ti

crystal_class_orig: ditrigonal-pyramidal


species: Ca K O

sg:
Pnma #62
Pnma #62
Pnma #62


species: Ca I Pb

Wyckoff_letters_orig: j k

Wyckoff_letters: j k


species: Ca I Ta

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Li Nb O

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52


species: Na O Ta

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ag O Ta

species_pp: Ag O Ta_pv


species: Cd Pd Sr


species: Au Bi Li


species: Bi Cl Tl

Wyckoff_letters_orig: a j

Wyckoff_letters: l p

Wyckoff_letters: b j


species: Li O Se

species_pp: Li_sv O Se

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Mo Ni O

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a b c c


species: O S Zn

species_pp: O S Zn

Wyckoff_letters: a d