species: O Sc Zn

species_pp: O Sc_sv Zn

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

lattice_system_relax: orthorhombic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-pyramidal

point_group_type: polar

point_group_structure: dihedral

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: c a b


species: Cd Mn O

species_pp: Cd Mn_pv O

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-pyramidal

point_group_type_orig: polar

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: a b b

Wyckoff_site_symmetries_orig: 3m .m .m

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-pyramidal

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

Wyckoff_letters: a b b

Wyckoff_site_symmetries: 3m .m .m


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-scalenoidal

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

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: i i

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: tetragonal-scalenoidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

Wyckoff_letters: b d

Wyckoff_letters: i i


species: O Sc V


species: Co O Zr

species_pp: Co O Zr_sv


species: O Sr Ti

crystal_class_orig: rhombohedral

point_group_type_orig: centrosymmetric

point_group_structure_orig: cyclic

crystal_class: rhombohedral

point_group_type: centrosymmetric

point_group_structure: cyclic


species: O Ta Tl

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: e e

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

reciprocal_lattice_type: MCLC

Wyckoff_letters: f f

Wyckoff_letters: e e


species: Ca O Sc

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Cd O V

species_pp: Cd O V_sv

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: O Sn W

species_pp: O Sn W_pv

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: b c

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: b c


species: Ni O Sc

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Cd Co O

species_pp: Cd Co O

crystal_class_orig: tetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Fe Mg O


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class: ditrigonal-scalahedral

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

aflow_prototype_params_list_relax: a c/a x3


species: Mn O Sr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

lattice_system_orig: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_system_orig: orthorhombic

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_system: orthorhombic

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Mg Sn Te

species_pp: Mg_pv Sn Te

Bravais_lattice_orig: TET

lattice_variation_orig: TET

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: a e

aflow_prototype_params_list_orig: a c/a


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries: m m


species: Cd Ni O

species_pp: Cd Ni_pv O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL


species: O Sn Zr

species_pp: O Sn Zr_sv


species: Mg O Zr

Bravais_lattice_orig: ORCI

lattice_variation_orig: 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


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Co O Sr

species_pp: Co O Sr_sv

crystal_class: tetragonal-dipyramidal


species: Fe O Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: In O Rh

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Re V

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O Sr Zn

species_pp: O Sr_sv Zn

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF


species: Ca O Sr

crystal_class_orig: ditrigonal-scalahedral


species: Ge Te Zn

species_pp: Ge_h Te Zn

Bravais_lattice_relax: TET

lattice_variation_relax: TET

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: a c


species: Cd O W

species_pp: Cd O W_pv


species: Cd Co O

Wyckoff_letters_orig: i h


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Fe O W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: d g

Wyckoff_letters: d g

Wyckoff_letters: a e


species: Mn O Sc

aflow_prototype_params_list_orig: a c/a x3


species: Nb O Zr

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Mn O W


species: Nb O W


species: Mn O Sn

species_pp: Mn_pv O Sn

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cl Cs Mn

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: a d

Wyckoff_letters: e i

Wyckoff_letters: a d


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Cu O Zn

species_pp: Cu_pv O Zn

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: c f

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: c f


species: O Sc Zr


species: Mg O W

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: b e e

Wyckoff_site_symmetries_orig: -1 m m


species: Fe O Zn

species_pp: Fe_pv O Zn


species: Cd O Ti

species_pp: Cd O Ti_sv

crystal_class_orig: tetragonal-disphenoidal


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Bi O Ti

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: j e


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Fe O V

Wyckoff_letters_orig: b c

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: b c


species: Ca O Ti

Wyckoff_letters_orig: i i

Wyckoff_letters: h l


Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Ti W

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

Wyckoff_letters_orig: g h n

Wyckoff_letters_orig: g h

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: g h n

Wyckoff_letters: g h

Wyckoff_site_symmetries: mmm mmm


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Cr Mg O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cr Mn O


species: O Sn W

species_pp: O Sn W_pv

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x3


species: Nb O V

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 Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: a b

Wyckoff_letters: c e


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Nb O W

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1


species: Ni O W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a


species: Fe Nb O


Wyckoff_letters: i i


species: O Sr V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O Sc


species: Cr O Zr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c

Wyckoff_letters: c c c


species: Mn Nb O

crystal_class_orig: ditrigonal-pyramidal


species: Co O Sc

species_pp: Co O Sc_sv


species: Fe Mn O

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI


species: Ca O Ti

Wyckoff_letters_orig: b c i i i

Wyckoff_letters: a c i i i


species: O Ti W


species: Nb O Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd O Zr

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: Ca Cd O

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Mg Sn Te

species_pp: Mg_pv Sn Te

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: O W Zr

Wyckoff_letters_orig: a a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a a a a

Wyckoff_letters: a a


species: Cr O W


Wyckoff_letters_orig: a e


species: Nb O Sr


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O V Zr

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: Ca O V


species: Fe Nb O


species: Fe O Ti


species: Ni O V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ni O Sn

species_pp: Ni_pv O Sn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m


species: Cd Fe O

species_pp: Cd Fe_pv O

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic


species: Mn O Sc


species: Mg O Ti


species: Mg O V


species: Cr O Zr


species: Nb Ni O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr O Sc


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Nb O Sc


species: Mn O Sr

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Fe O W

Bravais_lattice_orig: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF


crystal_class_orig: rhombohedral


species: Fe Mn O


species: Mg O Sr


species: O Rh V

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Mg Sn Te


species: Ca O Ti

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Cs I Nb

Wyckoff_letters_orig: i o

Wyckoff_letters: i o


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a b

Wyckoff_letters: a b

Wyckoff_letters: c c c

Wyckoff_letters: a a b


Wyckoff_letters_orig: c f

Wyckoff_letters_orig: h i

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: c f

Wyckoff_letters: h i


species: Fe O V


species: O W Zn

species_pp: O W_pv Zn

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a e


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class_orig: tetragonal-scalenoidal


species: Cr O V

Wyckoff_letters_orig: b c e

Wyckoff_site_symmetries_orig: mmm mmm mmm


Wyckoff_letters_orig: e f


species: O Ti V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca Fe O


species: O V Zn

species_pp: O V_sv Zn


species: Cl Li Ni

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

Wyckoff_letters: c l

Wyckoff_letters: a h


species: Cr Ni O

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

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters: e f


species: Fe O Sc

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: O V W

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a f

Wyckoff_letters: c g

Wyckoff_letters: a f


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: f f


species: O Sn V

species_pp: O Sn V_sv

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: e f f f

Wyckoff_letters: e f f f


species: O Ti Zr

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: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Ca Mn O

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Co O Sc

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: c a

Wyckoff_letters_orig: h g m

Wyckoff_letters: e c


species: Cr Nb O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a b


species: Cr O Sr


species: Cr Fe O

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: Fe O Sn


species: O Sn Ti

species_pp: O Sn Ti_sv


Wyckoff_letters_orig: c c


species: Cr O Ti

crystal_class_orig: orthorhombic-bipyramidal


species: Cd O Sn

species_pp: Cd O Sn


species: Mn O Sn

species_pp: Mn_pv O Sn


Wyckoff_letters_orig: b i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: b i i i

Wyckoff_site_symmetries: 2/m m m m


species: Fe O Sr


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: b f

Wyckoff_letters: b d


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: b b


Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Mg Te Zn

species_pp: Mg_pv Te Zn

crystal_class_orig: ditetragonal-dipyramidal

aflow_prototype_params_list_relax: a c/a


species: Ca Nb O

crystal_class: ditrigonal-pyramidal


species: Mn O Zn

species_pp: Mn_pv O Zn

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cr Ni O

Wyckoff_letters: a c


species: Cr O Sc


species: B Ho Ni

Wyckoff_letters_orig: g p

Wyckoff_letters_orig: a h

Wyckoff_letters: g p

Wyckoff_letters: a h


species: O Sr V


species: O W Zn


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Ti Zn

species_pp: O Ti_sv Zn

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m


species: O Ti Zr

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI


species: Nb O Zr

crystal_class: rhombohedral


species: Nb O W

Wyckoff_letters_orig: h p

Wyckoff_letters: h p

Wyckoff_letters: b f


species: O Sr Ti

Wyckoff_letters_orig: i d

Wyckoff_letters_orig: e a

crystal_class: monoclinic-prismatic

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: i i j

Wyckoff_letters: a b e


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a b


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: O Sr Zn

species_pp: O Sr_sv Zn

crystal_class_orig: ditrigonal-scalahedral


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: b g


species: Ni O W

crystal_class: dihexagonal-dipyramidal


species: O Sn Zr

species_pp: O Sn Zr_sv


species: Fe Mg O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Ti W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Nb O Ti


species: Ge Mg S


species: Cr Mn O


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Mg Ni O


species: Pt Si Y

species_pp: Pt Si Y_sv


species: Co F Tl

species_pp: Co F Tl_d

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Mg O V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr O Zr


species: Mg Nb O


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca O V


species: Nb O V


species: O Sr Zn


species: Mg S Sn

species_pp: Mg_pv S Sn


species: Cr Mg O


species: Cd Mn O

species_pp: Cd Mn_pv O

crystal_class: tetragonal-scalenoidal


species: Cd Ni O


species: Cr O W


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Dy O V

crystal_class: hexoctahedral


species: Cr O Sc


species: Mn Ni O

sg:
Imm2 #44
Immm #71
Immm #71


species: Ca O Sn

species_pp: Ca_sv O Sn


crystal_class: ditetragonal-dipyramidal


species: F Ga Hg

species_pp: F Ga_h Hg

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Ni O Sr

crystal_class: orthorhombic-bipyramidal


species: O Sc V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Fe O Ti


species: Mg O Ti

crystal_class: ditrigonal-scalahedral


species: Cl Rb Sn

species_pp: Cl Rb_sv Sn


species: Cr O V


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: d e


species: Cd Co O

species_pp: Cd Co O


Wyckoff_letters: i i i


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Ca O Ti

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a a


species: Fe O Zr


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Co O Sr


species: Nb O V


species: Nb O Ti

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: Ca O Zr

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Ca O Sr


species: Fe O W

Wyckoff_letters: i i


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


sg2:
Pban #50
Pban #50
P4/nbm #125


species: Ca O Sn

Wyckoff_letters_orig: h p

Wyckoff_letters_orig: b f

Wyckoff_letters: h p

Wyckoff_letters: b f


species: O V Zn

species_pp: O V_sv Zn


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Nb O Sc


species: Bi Cs I

Wyckoff_letters_orig: b j

Wyckoff_letters: b j


species: Co Ni O

species_pp: Co Ni_pv O


species: Pb S Sn

species_pp: Pb_d S Sn


species: Fe O Ti

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: c k

Wyckoff_letters: k l

Wyckoff_letters: c k


species: Nb O Zr


species: Ni O Sn

species_pp: Ni_pv O Sn


species: O Sn V

species_pp: O Sn V_sv


species: Ca Fe O

sg:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Mg O Sc

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Bravais_lattice_relax: ORCF

Wyckoff_letters_orig: a g

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

Wyckoff_letters: a g


species: Cr O Ti


species: Ag O Sb

species_pp: Ag O Sb


species: Nb O Sn

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


species: Mg O V


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: b c d

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


species: Cr O Sr

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Ho Nb O

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: K O P

species_pp: K_sv O P

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e e e e


species: Al O Ti

species_pp: Al O Ti_sv

Wyckoff_letters_orig: a i i i i i i i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m m m m m

Wyckoff_letters: a i i i i i i i

Wyckoff_letters: c i i i

Wyckoff_site_symmetries: 2/m m m m m m m m


species: Se Sn Zn

species_pp: Se Sn Zn

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i i i i i

Wyckoff_letters: i i i


species: Cr O Sc


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe O Sc

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: O Sr Zr

Wyckoff_letters_orig: a b


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters: c f


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Mn Ni O

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cd O Sc

species_pp: Cd O Sc_sv


species: O Pt Tb

species_pp: O Pt Tb_3

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Co O Sn

species_pp: Co O Sn


species: Nb O Zr

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O Sr W

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Fe Ni O

Wyckoff_letters_orig: a b e h

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mg Pb S

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Nb O Sr


species: Cd O Zr

species_pp: Cd O Zr_sv


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a


species: Bi Cs I


species: Cd Mn O

species_pp: Cd Mn_pv O


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Sr V

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: O Sc Zr

crystal_class: triclinic-pinacoidal


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


species: Ca O Zr

crystal_class: orthorhombic-pyramidal


species: Cr O Ti

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ca O Sr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca O Sc


species: Cd O W

species_pp: Cd O W_pv


species: Ni O V

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Nb Ni O

Wyckoff_letters_orig: a i

Wyckoff_letters: i i


species: O Sc Ti

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Cr O Zn


species: Cr O W


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Ni O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


species: Ca Mg O

Wyckoff_letters_orig: b g


species: Co O W

species_pp: Co O W_pv

crystal_class: monoclinic-prismatic


species: Fe Mg O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

aflow_prototype_params_list_orig: a b/a c/a x3


species: Ni O Ti


species: C V Zr

crystal_class: dihexagonal-dipyramidal


species: Cr Mn O

Wyckoff_letters_orig: i h


species: Fe Mn O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Fe Ni O


species: Mg O Sr

aflow_prototype_params_list_orig: a c/a z2


species: Cl Cu Rb


species: Mg O Sc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr O Ti

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: Fe O Sc

Wyckoff_letters_orig: b f


species: Nb Ni O


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Ca Mn O

Wyckoff_letters_orig: i i i j

Wyckoff_site_symmetries_orig: m m m 1

Wyckoff_letters: i i i j

Wyckoff_site_symmetries: m m m 1


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Mg O W


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Co Cr O

species_pp: Co Cr_pv O


species: O Ti W

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: Mn O V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: c k

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: k l

Wyckoff_letters: c k


species: Ca O Sn

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Cr O Sr


species: Fe O Ti


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Cl K Mn

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

Wyckoff_letters: c l


species: Ca Fe O


species: Cr F K

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Nb O Sc

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: Co Mg O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: e e

Wyckoff_letters: c f


species: Pt Si Th

species_pp: Pt Si Th_s

crystal_class: ditetragonal-dipyramidal


species: Ag In O

species_pp: Ag In_d O


crystal_class: orthorhombic-bipyramidal


species: Cd F Sc

species_pp: Cd F Sc_sv

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: O Sn Zn

species_pp: O Sn Zn


species: Ca Cd O

species_pp: Ca_sv Cd O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f


species: Fe O Sn

species_pp: Fe_pv O Sn

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

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


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters: e f


species: Cs K O


species: Li Nb O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Na Nb O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb O Pb

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a a a a


species: Nb O Rb

Wyckoff_letters_orig: a e

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a e


species: I N Th

species_pp: I N Th_s


species: I Na Pb

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: e e

Wyckoff_letters: e e f


species: Mg O Pb

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Ho I S

species_pp: Ho_3 I S


species: Ru Si Tb


species: Hf Hg O

species_pp: Hf_pv Hg O

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

crystal_class: triclinic-pedial


species: Bi Cr O


species: Cl Na Ta

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: a f

Wyckoff_letters: e l

Wyckoff_letters: a f


species: F Nb Rb

Wyckoff_letters_orig: g i

Wyckoff_letters: g j


species: F Mg Ta


species: Ca I K

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a c g

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a c g

Wyckoff_site_symmetries: mmm mmm 2mm


species: Na O Pb


species: Na O Ta

Wyckoff_letters: a b


species: Mn O Ta

crystal_class_orig: dihexagonal-dipyramidal


species: I K Na

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a b b

Wyckoff_letters: l b a

Wyckoff_letters: d k

Wyckoff_site_symmetries: 2mm mmm mmm


species: I Li Pb

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: I Mg Nb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b i i

Wyckoff_letters: b i i

Wyckoff_site_symmetries: 2/m m m


species: K O Pb

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: I Li Nb

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f i i i j

Wyckoff_letters_orig: e i

Wyckoff_letters: e f i i i j

Wyckoff_letters: e i


species: Nb O Ta

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: I K Pb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a c c


species: Cs I K

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K Nb O

Wyckoff_letters_orig: e e e f f

Wyckoff_letters: e e e f f


species: Mn Ni O

crystal_class_orig: triclinic-pedial

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

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


species: I K Ta

Wyckoff_letters_orig: f g j

Wyckoff_letters: f g j


species: Mn O Pr

species_pp: Mn_pv O Pr

Wyckoff_letters_orig: a b g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a b g g


species: Ce O Ti

species_pp: Ce O Ti_sv

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i


species: Dy Mn O


species: Cu Dy O

Egap_DOS_type: metal

crystal_class_orig: ditrigonal-scalahedral


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co Cu O

species_pp: Co Cu_pv O

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

Wyckoff_letters: b b

Wyckoff_letters: b b b b


species: Cr O Pm

species_pp: Cr_pv O Pm

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b

Wyckoff_letters: a b c c


species: Dy Eu O

species_pp: Dy_3 Eu O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: e k

Wyckoff_letters: e k


species: Ni O Zr

Egap_DOS_type: insulator

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Er O Zn

species_pp: Er_3 O Zn


species: Co Dy O

species_pp: Co Dy_3 O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Pr V

species_pp: O Pr V_sv

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cs I Pb

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: Cr O W

Egap_DOS_type: half-metal

sg:
Cccm #66
Cccm #66
Cccm #66

sg2:
Cccm #66
Cccm #66
Cccm #66

Wyckoff_letters_orig: k l

Wyckoff_letters: k l


species: Ce O V

species_pp: Ce O V_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Eu O

species_pp: Co Eu O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: ditetragonal-pyramidal


species: Cr O Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mg O Ti


species: Cd Fe O

species_pp: Cd Fe_pv O

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Ti V

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Bi O Ti


species: Cr Mn O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a d


species: Mn O V

crystal_class: hexoctahedral


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: b i

Wyckoff_letters_orig: i i i

Wyckoff_letters: b i

Wyckoff_letters: i i i


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Ca Fe O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


Wyckoff_letters_orig: g i i j

Wyckoff_letters: g i i j


species: Fe Mn O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Mn O Zr

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ca Cl Rb

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

Wyckoff_letters: c l

Wyckoff_letters: a h


species: Co O Sn

species_pp: Co O Sn

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Mg O V

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


crystal_class_orig: hexoctahedral


species: O Sr W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca O V

Wyckoff_letters_orig: a b b b

Wyckoff_letters: a b b b


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: h g i

crystal_class: monoclinic-prismatic

Wyckoff_letters: g h i


species: Ca Co O

species_pp: Ca_sv Co O

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ni O Zr

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: e i

Wyckoff_letters: i j

Wyckoff_letters: c i


species: Ni O Ti

Wyckoff_letters_orig: b c e


species: Mn Nb O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: c e

Wyckoff_letters: m n

Wyckoff_letters: a e


species: Bi O Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ca O W

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: e i


species: O Sr Zn

species_pp: O Sr_sv Zn

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a d


species: Ni O W

sg:
Ibam #72
Cmmm #65
Cmmm #65


species: Ni O Sr

crystal_class_orig: diploidal

Wyckoff_letters_orig: b d

crystal_class: diploidal

Wyckoff_letters: b d


species: Ca O Zn

species_pp: Ca_sv O Zn

crystal_class_orig: monoclinic-prismatic


species: O Sc W


species: Cl K Sc

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: a f

Wyckoff_letters: e l

Wyckoff_letters: a f


species: O Sr Ti


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: g h

Wyckoff_letters: h g


species: Fe O Zn

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Bi Nb O


species: Se Sn Zn

species_pp: Se Sn Zn

Wyckoff_letters: c e


species: Mg O V


Wyckoff_letters_orig: a d

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a b


species: Cr O W

crystal_class_orig: trigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Ca Mn O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Nb O

species_pp: Co Nb_sv O


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


crystal_class: trigonal-pyramidal


species: Fe Nb O


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


crystal_class: orthorhombic-bipyramidal


species: Ca Cr O

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: a b


species: Mn O W


species: Co Mn O

species_pp: Co Mn_pv O


species: Cd O Sn

species_pp: Cd O Sn

crystal_class_orig: dihexagonal-dipyramidal


species: Co O Zn

species_pp: Co O Zn

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal


species: Cr O Zr

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70


species: Ca Co O

sg:
Pnma #62
Pnma #62
Pnma #62


species: Co O V

species_pp: Co O V_sv


species: Mg Se Zn

species_pp: Mg_pv Se Zn


species: Cr Ni O


species: Ca Cd O

species_pp: Ca_sv Cd O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Ca Ni O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i

Wyckoff_letters: i i j


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Ca Mg O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b b

Wyckoff_letters: a a

Wyckoff_letters: a b b


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Ge S Zn

species_pp: Ge_h S Zn


species: Ca O Zn

crystal_class: tetragonal-dipyramidal


species: Ca Mn O

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: b e

Wyckoff_letters: c f


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class: ditrigonal-scalahedral


species: Cr O Ti

Wyckoff_letters: g g q


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr O W

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Mn O Sc


species: Cd Ni O

species_pp: Cd Ni_pv O

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

Wyckoff_letters: f i h


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a


species: O W Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca O W


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Pb Sn Te

species_pp: Pb_d Sn Te


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters: a a a a

Wyckoff_letters: b b b


species: Ni O V

Wyckoff_letters: a h


species: Nb O Sc

crystal_class_orig: ditrigonal-pyramidal


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters: a b


species: Ca O Sr


species: Co O Ti

species_pp: Co O Ti_sv

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: a a

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating


species: O Ti Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe O V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O V Zn

species_pp: O V_sv Zn


species: Mg Nb O

crystal_class_orig: ditrigonal-scalahedral


species: Ca Ni O


species: Cr Ni O

Wyckoff_letters_orig: b f


species: Ca Cr O

crystal_class_orig: ditetragonal-dipyramidal


species: Nb O W


species: Co F Na

species_pp: Co F Na_sv

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c g g g

Wyckoff_letters_orig: b g

Wyckoff_letters: e k i

Wyckoff_letters: b j


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Mn O Zr


species: Br Nb Zr

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: Ni O W

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cr Fe O

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal


species: Fe O Zn

species_pp: Fe_pv O Zn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: O Pt Y

species_pp: O Pt Y_sv

Wyckoff_letters_orig: a f

crystal_class: hexoctahedral

Wyckoff_letters: a f


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Cr O Sc


species: Cr Mn O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


Wyckoff_letters_orig: a e

Wyckoff_letters_orig: d g

Wyckoff_letters: a e

Wyckoff_letters: d g


species: Cd Mg O


species: O W Zr


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O Sc Zr


species: Pb S Zn

species_pp: Pb_d S Zn

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: a b e

Wyckoff_letters: e e e e

Wyckoff_letters: a d e


species: Cr Mg O

Wyckoff_letters_orig: b e e

Wyckoff_letters: b c c


species: Mn O W

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

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr O Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Fe Ni O


Wyckoff_letters_orig: b g g

Wyckoff_letters: b g g


species: Ca O V

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Fe O Ti

crystal_class_orig: tetragonal-dipyramidal


species: Ca O Zr


species: Co O V

species_pp: Co O V_sv


species: Nb O V


species: O Pt Ru

species_pp: O Pt Ru_pv

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ce Cr N

species_pp: Ce Cr_pv N


species: Mn O Sn

species_pp: Mn_pv O Sn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Cr O V

crystal_class_orig: orthorhombic-pyramidal


species: Co Ni O

species_pp: Co Ni_pv O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: c c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: f e


species: Mn O Ti

Wyckoff_letters_orig: g g

crystal_class: monoclinic-prismatic

Wyckoff_letters: g g


species: O Sn V

species_pp: O Sn V_sv


species: Ni O W

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: O Sc Ti

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Fe Mn O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i


species: Cl Cs Tl

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Co O Ti

species_pp: Co O Ti_sv


species: Cr Mn O


species: Cr Fe O


species: Nb O Ti


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: a b b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a b b b

Wyckoff_letters: b b


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Cr O Zr

Wyckoff_letters_orig: i i j

Wyckoff_letters: g g q


species: Fe Ni O


species: Br Fe Hg

species_pp: Br Fe_pv Hg

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: Ca Cr O

sg:
Fmmm #69
Fmmm #69
Fmmm #69


species: O Sc W

crystal_class: dihexagonal-dipyramidal


species: Mn Nb O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a


species: Ni O Sr

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Bi O Ti

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca O W


species: Co O Sr

species_pp: Co O Sr_sv

crystal_class_orig: trigonal-pyramidal


species: Nb O Sr

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a b


species: Mg O Sc

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: Mn O Ti


species: O Ti W

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn O Zr

sg:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: h g i

Wyckoff_letters: h g i


species: Mg O V


Wyckoff_letters_orig: a g


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: a c i i i


species: Nb O Sc

Wyckoff_letters_orig: a b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b b


species: Hf O Pd

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ge Pb Te

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ni O Zn

species_pp: Ni_pv O Zn

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: S Sn Zn

species_pp: S Sn Zn

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a g


species: Ni O W

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Cr Mg O

crystal_class: ditetragonal-dipyramidal


species: Co O Ti

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

Wyckoff_letters: b i


species: Co O Sr


species: Ca O Sr

sg2:
Imma #74
Imma #74
Imma #74


species: O Sr W

Wyckoff_letters: c f


species: Cd O Sr

species_pp: Cd O Sr_sv

crystal_class_orig: ditrigonal-pyramidal


species: Ca Ni O

crystal_class_orig: dihexagonal-dipyramidal


species: O Ti W

sg2:
Cm #8
Cm #8
Cm #8

crystal_class: monoclinic-domatic


species: Ca O Ti

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: La Mo O

species_pp: La Mo_pv O

crystal_class_orig: ditetragonal-dipyramidal


species: Mg O V

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: c b

Wyckoff_letters: i i i i i i i

Wyckoff_letters: i i i i


species: Mn Nb O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mg Mn O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Mg O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: b g

Wyckoff_letters: e f l


species: Mn O Sn

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: c g

Wyckoff_letters: c e


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: a g


species: O Ti V


species: Cr O V

Wyckoff_letters_orig: c f


species: Cr Fe O

Wyckoff_letters_orig: c a m

Wyckoff_site_symmetries_orig: mmm mmm ..2

Wyckoff_letters: c a m

Wyckoff_site_symmetries: mmm mmm ..2


species: Fe O W


species: Fe O Sr


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Fe O

species_pp: Co Fe_pv O


species: Co Nb O

species_pp: Co Nb_sv O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: d g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f

Wyckoff_letters: d g


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: Ca O Zn

species_pp: Ca_sv O Zn

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: O V Zr


species: O Sc V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a d


species: Cr O Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn O Zr


species: O Sr Zn

species_pp: O Sr_sv Zn

crystal_class: hexoctahedral


species: Cr Mn O


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a h g


species: Ni O V


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: Co Cu O

species_pp: Co Cu_pv O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: Cd Cr O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Sr Zr


species: O Sc Zr

Wyckoff_letters_orig: c e


species: Cr O W

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Ge S Sn

species_pp: Ge_h S Sn


species: Ca Cr O

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: c h

Wyckoff_letters: b d

Wyckoff_letters: c h


species: Co Fe O

sg2:
Ama2 #40
Cmcm #63
Cmcm #63


species: Fe O Sn

species_pp: Fe_pv O Sn

crystal_class: monoclinic-prismatic


species: Bi O Ti

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: La O Si

species_pp: La O Si

crystal_class_orig: hexoctahedral


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: i i j


species: Mg Te Zn

species_pp: Mg_pv Te Zn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters: c e


species: Nb Ni O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Mn O W

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Mn Nb O

sg:
Cmcm #63
Cmcm #63
Cmmm #65

sg2:
Cmcm #63
Cmcm #63
Cmmm #65

Wyckoff_letters_orig: f g

Wyckoff_letters: j g


species: Ni O W

Wyckoff_letters_orig: a d


species: Cu O Ta

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Ni O V


species: Cr O Zn


species: Ca Mg O


species: F Ga Li

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Nb O W


species: O Sc W


species: Mg O Sr

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class: tetragonal-scalenoidal


species: Cr O Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mg Se Zn

species_pp: Mg_pv Se Zn


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Bi O Ti


species: Fe Mg O

Wyckoff_letters_orig: a i

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Co Nb O


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cd O Sn

species_pp: Cd O Sn


species: Cr Mg O

Wyckoff_letters_orig: i h


species: Cl Co K

species_pp: Cl Co K_sv


species: Co O Sr

species_pp: Co O Sr_sv

crystal_class_orig: ditetragonal-pyramidal


species: F Li Ni

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

Wyckoff_letters: c l

Wyckoff_letters: a h


species: Ge Se Zn

species_pp: Ge_h Se Zn

Wyckoff_letters: a d


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class: dihexagonal-dipyramidal


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mg O W


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca Co O

species_pp: Ca_sv Co O

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: Cu Ni O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Cr O W


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Br Co Hg

species_pp: Br Co Hg

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i


species: Ca O Zn

species_pp: Ca_sv O Zn

crystal_class_orig: ditrigonal-pyramidal


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: b e e

Wyckoff_letters: b e e

Wyckoff_site_symmetries: -1 m m


species: Mn O Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg Nb O


species: Nb O W


species: Ca Mn O

Wyckoff_letters_orig: a b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b b


species: Mg O V


species: O Ti Zn

species_pp: O Ti_sv Zn

crystal_class: orthorhombic-bipyramidal


species: Co O Zr

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Ir Lu O

species_pp: Ir Lu O

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ni O Sn

species_pp: Ni_pv O Sn

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Cd O W

species_pp: Cd O W_pv


species: Mn O Sn

species_pp: Mn_pv O Sn

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 Zr

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co Nb O

species_pp: Co Nb_sv O

crystal_class: ditetragonal-dipyramidal


Wyckoff_letters_orig: g h n

Wyckoff_letters: e c


species: O Sc Zr

Wyckoff_letters_orig: e e


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: e f f f

Wyckoff_letters: f f

Wyckoff_letters: e f f f


species: Cr O V

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Fe O V

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Fe O Sr


species: Cr Ni O

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Ca O Sr

crystal_class_orig: tetragonal-dipyramidal


species: Mg O Sr

Wyckoff_letters_orig: a e


species: Br Sb Sn

species_pp: Br Sb Sn

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Mg Ni O

Wyckoff_letters_orig: a c


species: S Sn Zn

species_pp: S Sn Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c


species: Cr O Ti


species: O Ti W

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: tetragonal-pyramidal

Wyckoff_letters: a a


species: Cd O Sn

species_pp: Cd O Sn


species: Ca Fe O


species: O W Zn

species_pp: O W_pv Zn


species: Ca F Li

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Ca Cl O

species_pp: Ca_sv Cl O

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Cr Mn O


species: Fe O Ti


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg O Ti

sg:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: a a b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a b b

Wyckoff_letters: a a b b


species: Mn Nb O

sg:
Immm #71
Immm #71
Immm #71


species: Co O W

species_pp: Co O W_pv

crystal_class_orig: dihexagonal-dipyramidal


species: Ca Cl Cu


species: O Sn Ti

species_pp: O Sn Ti_sv

crystal_class: rhombohedral


species: O W Zr

crystal_class_orig: orthorhombic-pyramidal


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mg O W

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr Fe O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i


species: Co O Sn

species_pp: Co O Sn

sg2:
Pban #50
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: h g m

Wyckoff_letters_orig: c a

Wyckoff_letters: g h

Wyckoff_letters: g h n

Wyckoff_letters: a c


species: Ni O V

Wyckoff_letters: c a


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Mg O Rb


species: Cs I Nb

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Cs O Ta

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i i i i


species: Nb O Rb

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: K O Ta

Wyckoff_letters_orig: i o

Wyckoff_letters: i o


species: B Os Pr

crystal_class: tetragonal-dipyramidal


species: Cl Cs F

species_pp: Cl Cs_sv F

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ba F Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Al Co Pr

species_pp: Al Co Pr


species: Cu Lu O

species_pp: Cu_pv Lu O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: Ho Na O


species: Cr N Nb

Wyckoff_letters_orig: a c


species: C N Pb

species_pp: C N Pb_d

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Cu Sb


species: In Lu Rh

sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: As O Zn

species_pp: As O Zn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Ca O Rb


species: Dy Eu S

species_pp: Dy_3 Eu S

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: I Rb Ta

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Nb O Pb

Wyckoff_letters_orig: a c n

Wyckoff_site_symmetries_orig: mmm. mmm. ..2

Wyckoff_letters: a c n

Wyckoff_site_symmetries: mmm. mmm. ..2

aflow_prototype_params_list_orig: a c/a x5

aflow_prototype_params_list_relax: a c/a x5


species: I K Nb


species: I Li Rb


species: Cs O Rb


species: I K Li


species: I Li Ta


species: Na Nb O

Wyckoff_letters: b a


species: Nb O Ta

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ca K O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb O Rb

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cl K Nb

Wyckoff_letters_orig: e e f

Wyckoff_letters: e e f


species: Al Fe O

species_pp: Al Fe_pv O


species: Li O Rb

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b

Wyckoff_letters: a b b


species: Dy Ni O

Wyckoff_letters_orig: j j

Wyckoff_letters_orig: j j k

Wyckoff_letters: j j

Wyckoff_letters: j j k


species: Mn O Sm

Wyckoff_letters_orig: h h i

Wyckoff_letters: h h i


species: Cr Dy O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: F K Pb

Wyckoff_letters: g h


species: I Li Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca Li O

crystal_class_orig: tetragonal-scalenoidal


species: F K Na


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: g g g g

Wyckoff_letters: e f

Wyckoff_letters: g g g g


species: O Tb Zn

species_pp: O Tb_3 Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Fe O Tb

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: a d g

Wyckoff_letters: b d

Wyckoff_letters: a d g


species: Ho O Zn

species_pp: Ho_3 O Zn

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b

crystal_class: hexoctahedral


species: Cu Dy O


species: Ho O V

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b c

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: b c


species: I Na O

species_pp: I Na_sv O


species: Cd Nb O

species_pp: Cd Nb_sv O

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Nb O Sr

Wyckoff_letters_orig: i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i


species: O Ti W

Wyckoff_letters_orig: g h


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Ge Pb S

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Fe O

Wyckoff_letters_orig: a a b

Wyckoff_letters: d b


species: Co O Zn

species_pp: Co O Zn

sg2:
Immm #71
Immm #71
Immm #71


species: Nb Ni O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


crystal_class_orig: diploidal

crystal_class: diploidal


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i

Wyckoff_letters: a i


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b


species: O Sr Zr

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: b f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b f


species: Fe O Sc

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class: ditetragonal-dipyramidal


species: Cu Fe O

Wyckoff_letters: a a b

Wyckoff_letters: c c c


species: Ge Mg Se

crystal_class_orig: tetragonal-dipyramidal


species: Ca Mg O

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Sn Te Zn

species_pp: Sn Te Zn

Wyckoff_letters: g h


species: O W Zn

species_pp: O W_pv Zn


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class: triclinic-pinacoidal


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Cr O Sc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe O Sr

Wyckoff_letters_orig: a e e


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ag Bi I

species_pp: Ag Bi_d I

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class_orig: ditetragonal-dipyramidal


species: Cd Co O

species_pp: Cd Co O

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic


species: Ca Cr O

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: F Hg Ni

species_pp: F Hg Ni_pv

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co O Sn

species_pp: Co O Sn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a

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


species: Al F Hg

species_pp: Al F Hg

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: a f

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i

Wyckoff_letters: a f


species: Cr Ni O

crystal_class_orig: dihexagonal-dipyramidal


species: Ca Fe O

crystal_class_orig: monoclinic-prismatic


species: Ni O Zn

species_pp: Ni_pv O Zn


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: e f


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Mn O V

crystal_class_orig: orthorhombic-pyramidal


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Nb O V

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Fe O Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co O Sr

species_pp: Co O Sr_sv


species: O Sn V

species_pp: O Sn V_sv

crystal_class_orig: ditrigonal-scalahedral


species: Ca O Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co O Zn

species_pp: Co O Zn


species: Ca Mn O

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: O Sc V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Co O

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: Pb Te Zn

species_pp: Pb_d Te Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: F Ni Ti

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: Cr O Zr


species_pp: Ca_sv Co O

sg2:
Pnnm #58
Immm #71
Immm #71

Wyckoff_letters_orig: g h

Wyckoff_letters: b g

Wyckoff_letters: i l


species: Nb O Ti

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mg Mn O


species: Cr Fe O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


species: Cr Mn O


species: Fe O Sc


species: Cr Mg O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a


species: O V Zn

species_pp: O V_sv Zn


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: a e


species: Co Cr O

species_pp: Co Cr_pv O


species: Mn O Sc


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e e

Wyckoff_letters: e e

Wyckoff_letters: a e e


species: Cd Cr O

species_pp: Cd Cr_pv O

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

Wyckoff_letters_orig: f f


species: Mg O V

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Sr Zr


species: Ca O Sc


species: Cl Cs Ti


species: Cr O Sr


species: Ca Co O


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Ni O Zr


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: F Li Sr


species: Ca Mn O


species: O W Zn

species_pp: O W_pv Zn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co O Sr

crystal_class_orig: tetragonal-dipyramidal


species: Fe O V

Wyckoff_letters_orig: b d


species: Ca Cr O

Wyckoff_letters_orig: e e f

Wyckoff_letters: e e f


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cr Ni O

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


crystal_class_orig: hexoctahedral


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr Nb O


species: Fe Ni O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species_pp: Co O Sr_sv

Wyckoff_letters: b d


species: Co Cr O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c h p

Wyckoff_letters: a f

Wyckoff_letters: c h p


species: Mg Ni O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Co Mn O

species_pp: Co Mn_pv O


species: Mg O V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Nb O

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 a

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 a


species: O Pt Re

species_pp: O Pt Re_pv


species: Ca O Ti


species: O Sn Zn

species_pp: O Sn Zn


species: Fe O Zr


species: Ni O Zr


species: Mn Nb O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d


species: Bi O Ti

sg2:
Pbca #61
Pbca #61
Pbca #61


species: I Nb O

species_pp: I Nb_sv O

sg:
Pnma #62
Pnma #62
Pnma #62


species: I La O

species_pp: I La O


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: O Ti Zn


species: Ni O V


species: O W Zr


species: Cd Mn O

species_pp: Cd Mn_pv O

crystal_class: ditrigonal-scalahedral


species: Nb O Sc


species: Pb Se Sn

species_pp: Pb_d Se Sn


species: Cd O Sn

species_pp: Cd O Sn


Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Cr Mn O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Br Cu Mn

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

crystal_class: trigonal-trapezoidal

Wyckoff_letters: e g


species: Cd Fe O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i

Wyckoff_letters: i i j


species: Nb O V


species: O Sn V

species_pp: O Sn V_sv


species: Co O Sc

species_pp: Co O Sc_sv

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: e e


crystal_class_orig: triclinic-pedial

Wyckoff_letters: a b


species: Co O Sn


Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: dihexagonal-dipyramidal


species: Mg O V

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: d d

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a c

Wyckoff_letters: d d


species: Co O W


species: Cl Cs Ti


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cr O V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mg Pb S


species: Cd Co O

species_pp: Cd Co O


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: i i i i

Wyckoff_letters: g g


species: Co O Sr

species_pp: Co O Sr_sv

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: F K Nb


species: Fe O Zn

species_pp: Fe_pv O Zn


species: Ca O Ti

crystal_class_orig: ditrigonal-pyramidal


species: Nb O Zr

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a a


species: Cr Cu O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b e

Wyckoff_letters: b e

Wyckoff_letters: i i i i


species: Fe O V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Sn V

Wyckoff_letters_orig: c e e g

Wyckoff_letters_orig: a e

Wyckoff_letters: c e e g

Wyckoff_letters: e e

Wyckoff_letters: a e


species: Cr Mn O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mg O Sc

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Fe Mn O

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Co Nb O

species_pp: Co Nb_sv O

crystal_class: hexoctahedral


species: O Sr V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: dihexagonal-pyramidal


species: Mg O Zr


species: Cd Cr O

species_pp: Cd Cr_pv O

crystal_class_orig: ditrigonal-scalahedral


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Ca Nb O

crystal_class: monoclinic-prismatic


species: Mg O Sr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co Mg O

species_pp: Co Mg_pv O


species: Co O Sr

crystal_class_orig: hexoctahedral


species: Cd Co O


species: Cl Sb Tl

species_pp: Cl Sb Tl_d

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Ni O V


species: Ca Ni O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f


species: Fe Nb O

crystal_class_orig: ditetragonal-pyramidal


species: O Sn Zn

species_pp: O Sn Zn


species: Bi O Ti

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: Mn O W

crystal_class_orig: tetragonal-scalenoidal


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd O Sn

species_pp: Cd O Sn


species: Ca O Sr

crystal_class: orthorhombic-bipyramidal


species: Cd O V

species_pp: Cd O V_sv


species: Mn Ni O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c g

Wyckoff_letters: f e l


species: Ca O V

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Ca O Ti

crystal_class: ditetragonal-dipyramidal


species: B K O

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: f f f f f

Wyckoff_letters: f f f

Wyckoff_letters: f f f f f


species: Co O Zr

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e


species: Fe Ni O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: c g


species: O V W


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: a e

Wyckoff_letters: d g


species: O Sc Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Fe O W


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Cr O W


species: Ni O Ti

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Nb O Zr

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters: c i

Wyckoff_letters: i i j


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: f f

Wyckoff_letters: e e

Wyckoff_letters: f f


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: b f


species: Co Nb O

species_pp: Co Nb_sv O


species: Mg O Sn

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Mg O W


species: Cr Ni O


species: Cr Nb O

Wyckoff_letters_orig: g i i j

Wyckoff_letters: g i i j


species: Cl Ta Tl

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e

Wyckoff_letters: d e


species: Mg Ni O


species: Al F Mn

species_pp: Al F Mn_pv

sg:
Ama2 #40
Cmcm #63
Cmcm #63

sg2:
Ama2 #40
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: b c c

Wyckoff_letters: c f f


species: Fe O Ti


species: Mn Nb O


species: Cr O Ti


species: Nb O Zn

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cl Fe Hg

species_pp: Cl Fe_pv Hg

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: a b

Wyckoff_letters: e e e e

Wyckoff_letters: a d


species: O V Zr

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: Ni O Sn

species_pp: Ni_pv O Sn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters: a g


species: Nb O V


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sc W

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: b c i i i


species: Co Fe O


species: Ca O Sr

Wyckoff_letters_orig: a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b b


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe O Sr


species: Fe O Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Cl Na Sc

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: a g

Wyckoff_letters: e h i


species: Co Nb O

crystal_class: ditrigonal-pyramidal


species: Co Ni O

species_pp: Co Ni_pv O


species: Mg O Ti


species: Ca Cd O


species: Cd O Zn

species_pp: Cd O Zn


species: Ca Cr O


species: Cr Mn O

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c


species: Mg O W


species: O Sr W

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Ca O W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Nb O


species: Nb Ni O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i i


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: Mn O Sr

crystal_class: ditrigonal-scalahedral


species: Nb O V


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Cr O Ti


species: O Sc Sn

species_pp: O Sc_sv Sn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

Wyckoff_letters: e a


species: Mn Ni O

sg2:
Imma #74
Imma #74
Imma #74

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: i h

Wyckoff_letters: h i


species_pp: Ca_sv Cd O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cr Fe O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: B Ru Tb

sg2:
Pnma #62
Pnma #62
Pnma #62


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ni O Zr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Mn O


species: Cr Mn O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c

Wyckoff_letters: c c d


species: Co Cr O

species_pp: Co Cr_pv O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mg O Ti


Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cr Nb O


species: Co O V

species_pp: Co O V_sv

sg2:
Cmcm #63
Cmcm #63
Cmmm #65

Wyckoff_letters_orig: f g

Wyckoff_letters: j g


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Ca I Li

crystal_class: tetragonal-scalenoidal


species: O Ti W

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal


species: Fe O Ti

crystal_class_orig: tetragonal-disphenoidal


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Sr V


species: Cl K Mn

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e e

Wyckoff_letters: a e


species: Cr O Sr

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a


species: Br Hf Hg

species_pp: Br Hf_pv Hg

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: Cr Mg O

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: i i

Wyckoff_letters: b d

Wyckoff_letters: i i


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ni O Sn

species_pp: Ni_pv O Sn

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ca Cd O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c

Wyckoff_letters: c c c c


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Ti V

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c


species: Nb O Zn


species: Fe Nb O

crystal_class: hexoctahedral

Wyckoff_letters: a f


species: Co Mn O

species_pp: Co Mn_pv O


species: Ca Co O


species: Cd O W

species_pp: Cd O W_pv


species: Co Mg O

species_pp: Co Mg_pv O

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Mg Nb O


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class: monoclinic-prismatic


species: Mn O Ti


species: Ca Fe O

crystal_class_orig: ditrigonal-scalahedral

aflow_prototype_params_list_relax: a c/a z2


species: Hg O Zr

species_pp: Hg O Zr_sv

crystal_class_orig: hexoctahedral


species: Fe Mg O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ca Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: a d

Wyckoff_letters: e e

Wyckoff_letters: e e e e e


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca O Zr


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: a d


species: O Sc Zr


species: O Sr V

crystal_class_orig: ditrigonal-pyramidal


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Cd O V

sg2:
Immm #71
Immm #71
Immm #71


species: Ca Cr O

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Al Cs F

species_pp: Al Cs_sv F

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Nb O Zr


species: Bi O Ti

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: i i j

Wyckoff_letters: a h

Wyckoff_letters: i i j


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ag Bi I

species_pp: Ag Bi_d I


species: Co O Zn

species_pp: Co O Zn


species: Mg Mn O

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Cr Fe O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Co O Zr

species_pp: Co O Zr_sv


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Cr O Sr


species: Pb Se Zn

species_pp: Pb_d Se Zn


species: Cd Mn O

species_pp: Cd Mn_pv O


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Cr O Sn

species_pp: Cr_pv O Sn

sg:
Fmmm #69
Fmmm #69
Fmmm #69


species: Mn Nb O

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cr O W

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: b b a a


species: Co O Sr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca O V


species: Cr O Zn

species_pp: Cr_pv O Zn

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Nb O V


species: Cr O Sc


species: Ge Te Zn

species_pp: Ge_h Te Zn

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Br Cu Hf

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: a f

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i

Wyckoff_letters: a f


species: Fe Mn O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Nb O Sc

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mg Nb O

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e f

Wyckoff_letters: a e

Wyckoff_letters: e e f


species: Sn Te Zn

species_pp: Sn Te Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: e f


species: Pb Te Zn

species_pp: Pb_d Te Zn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Mg Mn O

Wyckoff_letters_orig: b g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b g


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: a a

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a d


species: O Sc Ti

Wyckoff_letters_orig: a g

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a g


species: O Sc V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe O V

crystal_class: triclinic-pedial


species: Cr O Zn

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Nb O Sr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: c g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: c g


species: Ni O Zn

species_pp: Ni_pv O Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65


species: Cr Fe O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O Sc

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b d

crystal_class: rhombohedral

Wyckoff_letters: a b d


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Fe O Sc


species: Ca O Sr

crystal_class_orig: orthorhombic-bipyramidal


species: Fe Nb O

crystal_class: ditrigonal-scalahedral


species: Cr O V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: Br Cu Sc

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Mg O Pb

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: O Pb Rb


species: Ca Li O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cs Li O


species: K Nb O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Li Nb O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: j k

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: j k


species: Li O Ta

Wyckoff_letters_orig: f g j

Wyckoff_letters: f g j


species: Na O Ta


species: Ce Cl Te

species_pp: Ce Cl Te


species: Cs I Nb


species: Nb O Rb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Fe O Te

species_pp: Fe_pv O Te

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Cl Cs Li

Wyckoff_letters_orig: e e e f

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e f

Wyckoff_letters: e e e


species: In Li Mg


species: I N Pb

species_pp: I N Pb_d

Wyckoff_letters_orig: d f

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: a c

Wyckoff_letters: d f

Wyckoff_letters: b c

Wyckoff_letters: a c


species: Cr Fe Se

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ir K O

species_pp: Ir K_sv O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: d g

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: d g


species: Li O Ti

Wyckoff_letters_orig: a i i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: 2/m m m m m m m

Wyckoff_letters: a i i i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: 2/m m m m m m m


species: Fe O Se

species_pp: Fe_pv O Se

Wyckoff_letters_orig: e e e e e e e e e

Wyckoff_letters: e e e e e e e e e


species: Cl Nb Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: F Li Mg

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: I K Mg

Wyckoff_letters_orig: e e f f

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b

Wyckoff_letters: c d


species: Ca I K


species: I Pb Rb

Wyckoff_letters: e e


species: Li O Ta


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c g

Wyckoff_letters: a h

Wyckoff_letters: i j


Wyckoff_letters_orig: i f

Wyckoff_letters: i f


species: Ca K O

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: K Mg O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: La O S

species_pp: La O S

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Cl Mg Ta


species: Mg O Rb

Wyckoff_letters_orig: a c g

Wyckoff_letters: a c g


species: Co Cu O

species_pp: Co Cu_pv O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters: a b


species: Cr Cu O

sg:
Pban #50
Pban #50
Pban #50

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: h d

Wyckoff_letters_orig: u u


species: O Sm Ti

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: e f

Wyckoff_letters: a i

Wyckoff_letters: e f


species: O Sm Tb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a a a b b b

Wyckoff_letters_orig: b b b

Wyckoff_site_symmetries_orig: .m .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a a a b b b

Wyckoff_letters: b b b

Wyckoff_site_symmetries: .m .m .m


species: Co O Tb

species_pp: Co O Tb_3

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: hexoctahedral


species: O Sm Yb

species_pp: O Sm_3 Yb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Mn O Sm

Wyckoff_letters_orig: a a a


species: Er O Ti

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cs I K

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a b b


species: S Se Zn

species_pp: S Se Zn

crystal_class: orthorhombic-pyramidal


species: Ca O Sr

Wyckoff_letters_orig: e e

Wyckoff_letters: d d


species: Co O Sm

species_pp: Co O Sm_3


species: Dy O V

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: c c c

crystal_class: hexagonal-pyramidal

Wyckoff_letters: c c c


species: Cu Eu O

species_pp: Cu_pv Eu O

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Ce Ho O

species_pp: Ce Ho_3 O

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Ca O W

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a a a


species: Ni O Sc

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m


crystal_class: orthorhombic-bipyramidal


species: Ca Ni O


species: Br Cr K

Wyckoff_letters_orig: c g g g

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: b g

Wyckoff_letters: c g g g

Wyckoff_letters: a d

Wyckoff_letters: b g


species: Ca Fe O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: d g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f

Wyckoff_letters: d g


species: Ca O Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: a b i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i

Wyckoff_letters: a b i


species: Ca Cr O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal


species: Cd Cr O

species_pp: Cd Cr_pv O


species: O Sn Zn

species_pp: O Sn Zn

crystal_class: ditrigonal-scalahedral


species: Cd O Ti

species_pp: Cd O Ti_sv

sg:
Immm #71
Immm #71
Immm #71


species: Mn O Zn

species_pp: Mn_pv O Zn

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a a

crystal_class: ditetragonal-dipyramidal


species: Fe Nb O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cd Mn O

species_pp: Cd Mn_pv O

crystal_class_orig: monoclinic-prismatic


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe O Sr


species: Nb O W


species: Cr O Ti

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Mg O Sr

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Mn O Sc

Wyckoff_letters: c c


species: Mg Pb S

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: a e e

Wyckoff_site_symmetries_orig: -1 m m

Wyckoff_letters: a g


species: Ni O Sc


species: O Sr Zn

species_pp: O Sr_sv Zn

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Ca Ni O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i

Wyckoff_letters: i i j


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca O V


species: Cr Ni O

crystal_class_orig: hexoctahedral


species: O Ti V


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Cr O W

Wyckoff_letters_orig: a e g

Wyckoff_letters_orig: b e

Wyckoff_letters: a e g

Wyckoff_letters: b e


crystal_class: hexagonal-trapezoidal


species: Mg Nb O


species: Ca O Zr

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f