species: Mg O Ta

sg2:
Pbam #55
Pbam #55
Pbam #55

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: g g h h

Wyckoff_letters: a g

Wyckoff_letters: g g h h


species: Na Nb O

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Bi Br Cs

Bravais_lattice_orig: MCLC

lattice_system_orig: 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: a b c f f f

Wyckoff_letters_orig: d f

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Wyckoff_letters: e i

Wyckoff_letters: a d


species: Ca Pb Zn

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Hg I Tl

species_pp: Hg I Tl_d

Bravais_lattice_orig: TET

lattice_variation_orig: TET

lattice_system_orig: tetragonal

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-pyramidal

point_group_type_orig: polar

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a a c

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

Wyckoff_letters: e h


species: Ni Pd Si

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: b c


species: Ca Mn O

sg2:
Pc #7
Pc #7
Pc #7

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

point_group_structure_orig: cyclic

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

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a 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

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

point_group_type: polar

point_group_structure: cyclic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a a a a a

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


species: Cl K Mg

sg:
Pbam #55
Pbam #55
Pbam #55

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: h g

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

Wyckoff_letters: h g


species: Se Sm Yb

species_pp: Se Sm_3 Yb

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: c f

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: c f


species: Cl Rh Te

species_pp: Cl Rh_pv Te

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL


species: Ca F Na

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a b


species: K Li O

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Ca O Rb

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: K Mg O

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: e i

Wyckoff_letters_orig: a b i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i

Wyckoff_letters: b i

Wyckoff_letters: c e i i i i


species: Mg O Pb

Bravais_lattice_relax: MCLC

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h

Wyckoff_site_symmetries_orig: m m 1

Bravais_lattice_lattice_type: MCLC

Bravais_superlattice_lattice_type: MCLC

reciprocal_lattice_type: MCLC

Wyckoff_letters: i i j

Wyckoff_letters: a h

Wyckoff_site_symmetries: m m 1


species: F Li Pb


species: I K Ta

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i i i i


species: I Mg Na

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a k

Wyckoff_letters_orig: b g

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: a k

Wyckoff_letters: b g


Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: c e


species: F Mg Na

Wyckoff_letters: c c c


Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

crystal_class_orig: tetragonal-disphenoidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: a c

crystal_class: tetragonal-disphenoidal

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT

Wyckoff_letters: a c


species: Li O Rb

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: b c f

crystal_class: rhombohedral

Wyckoff_letters: b c f


species: Ce Fe O

species_pp: Ce Fe_pv O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b g g


species: Ce Cr O

species_pp: Ce Cr_pv O

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Dy Er O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d

Wyckoff_letters: g g g


species: Cr O Sm


species: Er O Sm

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: Er O V

crystal_class: tetragonal-dipyramidal


species: Gd O Ti

species_pp: Gd O Ti_sv

Wyckoff_letters: c c


species: I Li Pb

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: F Na Pb

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

Wyckoff_letters_orig: c g

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

aflow_prototype_params_list_orig: a c/a x4


species: Eu Mn O

species_pp: Eu Mn_pv O

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic


species: S Se Zn

species_pp: S Se Zn

Egap_DOS_type: insulator

Wyckoff_letters_orig: b b a

Wyckoff_letters_orig: a b b a

Wyckoff_letters: b b a

Wyckoff_letters: a b b a


species: Co Fe O

species_pp: Co Fe_pv O

Egap_DOS_type: half-metal

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a a a a a a a

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

crystal_class: trigonal-pyramidal

Wyckoff_letters: b b b b


species: Cu Fe O

Egap_DOS_type: metal

Wyckoff_letters_orig: a c d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c d


species: Cu O V


species: O Tb V

Wyckoff_letters_orig: d i

Wyckoff_letters_orig: a b d

Wyckoff_letters: d i

Wyckoff_letters: a b d


species: Cs I Pb

crystal_class_orig: hexagonal-trapezoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: b c

crystal_class: hexagonal-trapezoidal

point_group_type: enantiomorphic

Wyckoff_letters: b c


species: Er O Ti

crystal_class: ditrigonal-scalahedral

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Mo Se Sr

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Nb O V

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b b b

Wyckoff_letters: b b

Wyckoff_letters: a b b b


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class: dihexagonal-dipyramidal


species: Nb O W

crystal_class_orig: orthorhombic-bipyramidal


species: Cr O Zn

species_pp: Cr_pv O Zn

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

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

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O W Zn

species_pp: O W_pv Zn


species: Pb Se Zn

species_pp: Pb_d Se Zn

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


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Eu O V

species_pp: Eu O V_sv

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

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


species: Mn O W

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: a a b

Wyckoff_site_symmetries: m m m


species: Nb Ni O

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe Mg O

Wyckoff_letters_orig: c g h

Wyckoff_letters_orig: i j

Wyckoff_letters: c g h

Wyckoff_letters: i j


species: Fe Ni O

crystal_class_orig: dihexagonal-dipyramidal


species: Ni O V


species: Mn O Zr


species: O V Zn

species_pp: O V_sv Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m


species: Co Mg O

species_pp: Co Mg_pv O


species: Bi O Ti


species: Ca Cr O


species: Ca Ni O

Wyckoff_letters_orig: a e

Wyckoff_letters: a c


species: Ca O Sr


species: O Sn Ti

species_pp: O Sn Ti_sv

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O Sr W


species: Fe O Zr

Wyckoff_letters: a e


species: F Hg Nb

species_pp: F Hg Nb_sv

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: a d

Wyckoff_letters: e i

Wyckoff_letters: a d


species: Ge Sn Te

species_pp: Ge_h Sn Te

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: diploidal

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

crystal_class: diploidal


species: O W Zn


species: Co Mn O

species_pp: Co Mn_pv O

crystal_class: orthorhombic-bipyramidal


species: Fe O V

crystal_class_orig: ditrigonal-scalahedral


species: Cd O Sc

species_pp: Cd O Sc_sv


species: O Sc Sn

species_pp: O Sc_sv Sn


species: Mg O Sn

species_pp: Mg_pv O Sn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: c d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mn O W

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O Sc Zr

sg:
Imma #74
Imma #74
Imma #74

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


Wyckoff_letters_orig: g g

crystal_class: monoclinic-prismatic

Wyckoff_letters: g g


species: Ni O Ti


species: Fe O Ti


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cd O W

species_pp: Cd O W_pv


species: Cr Mn O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b d d d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b d d d


species: Mg S Sn

species_pp: Mg_pv S Sn


species: Cd Co O

species_pp: Cd Co O


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Ca Cr O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters: a a a

Wyckoff_letters: b b b


species: O Sn V

species_pp: O Sn V_sv

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: a h

Wyckoff_letters: a h

aflow_prototype_params_list_relax: a c/a x4


species: Mg Ni O


species: Fe O Sr


species: Cr Fe O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr O W

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: b c i i i


species: Co O V

species_pp: Co O V_sv

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: a i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_site_symmetries: 2/m m m


species: Ca O Sr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca O Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: d h


species: O V W

Wyckoff_letters: a c h g g


species: Mn Ni O

Wyckoff_letters_orig: a d


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Cr Ni O

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b b b

Wyckoff_letters: b b

Wyckoff_letters: a b b b


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


species: Fe O Sc

Wyckoff_letters_orig: e f


Wyckoff_letters_orig: g g


species: Mn O Sc


species: Co Ni O

species_pp: Co Ni_pv O


species: Mg O Sc

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c d

Wyckoff_letters_orig: a b c d e e e e

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b a

Wyckoff_letters: b a c d c


species: O Sc W

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


sg2:
Imma #74
Imma #74
Imma #74


species: Ca Cr O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr O Sn


species: Mg O V

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Mn O Sr

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


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cd Mg O

species_pp: Cd Mg_pv O

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Ni O W

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Co O Pt

species_pp: Co O Pt

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f h

Wyckoff_letters: a e

Wyckoff_letters: f h


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: e f f f f

Wyckoff_letters: b f


species: Ni O V

crystal_class_orig: ditetragonal-pyramidal


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Co O V

crystal_class_orig: tetragonal-scalenoidal


species: Cl Co Hg

species_pp: Cl Co Hg

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: b e

Wyckoff_letters: e e e

Wyckoff_letters: d e


species: Cr Fe O


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Co Nb O

species_pp: Co Nb_sv O


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Fe Ni O


species: Mn O Sc


Wyckoff_letters_orig: i i


species: Cr O Zr

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: Mg O Ti

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Mn O Ti


species: Mg O V

Wyckoff_letters_orig: a i

Wyckoff_letters: a i

Wyckoff_letters: i i


species: Cr Mn O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


species: Dy Er O

Wyckoff_letters: a n

Wyckoff_letters: m n n


species: Mn O W

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters: b e


species: Ca Cr O


species: Cr Nb O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca O W

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ni O W


species: Mg Mn O


species: Cd Cr O

species_pp: Cd Cr_pv O

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: b i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: b i


species: Nb O Sn

species_pp: Nb_sv 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

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a

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

Wyckoff_letters: a a a a


species: F Li Ni

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k

Wyckoff_letters: b f


species: Ca Nb O

crystal_class_orig: monoclinic-prismatic


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: g g


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ni O V

Wyckoff_letters: g g


species: Cr O Sn

species_pp: Cr_pv O Sn

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: Mn O Sn

species_pp: Mn_pv O Sn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cd Fe O

species_pp: Cd Fe_pv O

Bravais_lattice_lattice_type_orig: ORCF


species: Cd O V

species_pp: Cd O V_sv


species: Cr O Ti

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

Wyckoff_letters: d i


species: Ca Cr O


species: O W Zn

species_pp: O W_pv Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Bi O Ti


species: Fe Ni O


species: O Zn Zr

species_pp: O Zn Zr_sv

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Mn Nb O

Wyckoff_letters: a c f


species: Co O Ti

species_pp: Co O Ti_sv


species: C Cr Ge

crystal_class: dihexagonal-dipyramidal


species: Ca O Ti


species: Cd O Ti

Wyckoff_letters_orig: c a

Wyckoff_letters: a c


species: O Sc V

Wyckoff_letters_orig: c c c d d

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c d d

Wyckoff_letters: c c


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class_orig: orthorhombic-pyramidal


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co O V

species_pp: Co O V_sv


species: Ge Mg S

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Ca Cd O

species_pp: Ca_sv Cd O

crystal_class: ditrigonal-dipyramidal


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: Ca Fe O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


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: Ca Ni O


species: Ni O Zn

species_pp: Ni_pv O Zn

crystal_class: orthorhombic-bipyramidal


species: Cr O Sr


species: Cr Mg O


species: Mg O W

Bravais_lattice_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

Wyckoff_letters_orig: c g

crystal_class: ditetragonal-dipyramidal


species: O W Zr


species: Cr O Sn

Wyckoff_letters: c a


species: Ca O Zn

species_pp: Ca_sv O Zn

crystal_class: monoclinic-prismatic


species: Ni O W

Wyckoff_letters_orig: c c c c

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m m m


species: Nb O V

Wyckoff_letters_orig: g i i j

Wyckoff_letters: g i i j


species: Fe Ni O

sg:
Ibam #72
Ibam #72
Cmmm #65

sg2:
Ibam #72
Ibam #72
Cmmm #65


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Cr Ni O

Wyckoff_letters_orig: g g


species: Fe O W

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Fe Nb O


species: Nd O Ta

species_pp: Nd O Ta_pv

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: S Sn Zn

species_pp: S Sn Zn

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: Mn O Sn


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cr Mn O

Wyckoff_letters_orig: a d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d


species: Ca Mg O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a a


species: Co O V

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a


species: O Sn W

species_pp: O Sn W_pv

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: c c c d

Wyckoff_letters_orig: a c

Wyckoff_letters: c c c d

Wyckoff_letters: a c


species: Fe O Ti


species: Bi O Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca O Sc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O W Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr O W


Wyckoff_letters_orig: e f


species: Ca O Zr


species: O Sc V

Wyckoff_letters_orig: a b

Wyckoff_letters: c e


species: Fe O Zr

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Ca Mn O

crystal_class_orig: ditrigonal-pyramidal


species: O Sr V

crystal_class: hexoctahedral


crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b b


species: Fe Mn O


species: Cr O Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cr O Sr

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i

Wyckoff_letters: i i j


species: Ca O V


species: Cd O Zr

crystal_class_orig: tetragonal-scalenoidal


species: As Cu S

species_pp: As Cu_pv S


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Ni O

species_pp: Co Ni_pv O


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters: g j


species: Co O V

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

sg2:
Pban #50
Pban #50
Pban #50


species: Ca Ni O


species: O V Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca O Sc

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: Bi O Ti


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ge Lu Ni

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd O Sn

species_pp: Cd O Sn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c e


species: Cr Mg O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Co Cr O

species_pp: Co Cr_pv O


species: Fe O V

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a


species: Nb O W


species: Cr O Sc

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: c g

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: c g


species: Mn O Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


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

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h n

Wyckoff_letters_orig: g h

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: a c

Wyckoff_letters: g h n

Wyckoff_letters: g h

Wyckoff_site_symmetries: mmm mmm


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: b c e

Wyckoff_site_symmetries_orig: mmm mmm mmm

aflow_prototype_params_list_orig: a b/a c/a


species: Co O Zr

species_pp: Co O Zr_sv


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


Wyckoff_letters_orig: k l

Wyckoff_letters_orig: c k

Wyckoff_letters: k l

Wyckoff_letters: c k


species: Mn O Sn

species_pp: Mn_pv O Sn


species: Fe O Sn


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Mn O Zr


species: Mg O Sc

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: B Co O

species_pp: B_h Co O

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: c g h

Wyckoff_letters: e g

Wyckoff_letters: c g h


species: Mg O V

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co Mg O

Wyckoff_letters_orig: a e


crystal_class: ditrigonal-pyramidal


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Mn O Sr


species: O Sn W

species_pp: O Sn W_pv


Wyckoff_letters_orig: a b


species: O Sc W

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

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

crystal_class: tetrahedral

point_group_structure: symmetric


species: Fe Mn O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g g


species: Ni O Zr

Wyckoff_letters_orig: a a b

Wyckoff_letters: d b


species: Mn O W

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j j j

Wyckoff_letters_orig: h i

Wyckoff_letters: g i

Wyckoff_letters: i i j j j

Wyckoff_letters: h i


species: Ca Co O

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Cr O Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i i


species: Pb Te Zn

species_pp: Pb_d Te Zn

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

Bravais_lattice_relax: ORCF

Wyckoff_letters_orig: a h

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

Wyckoff_letters: f h i


Wyckoff_letters_orig: b c e

Wyckoff_letters: e a


species: Cr F Tl

Wyckoff_letters_orig: c d

Wyckoff_letters: a b

Wyckoff_letters: c d


species: O V Zn

species_pp: O V_sv Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Co Cr O

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Mg Nb O


species: Mn O Sc

Wyckoff_letters: a e


species: Ca Cr O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Nb O Zn

species_pp: Nb_sv O Zn


species: Cd O Sn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: Ca Cd O

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

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Cu Mg O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: Ca O Zn


species: Cd Cs I

species_pp: Cd Cs_sv I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Co O Sc

species_pp: Co O Sc_sv


species: Mg O Sc

sg:
Ibam #72
Cmmm #65
Cmmm #65

sg2:
Ibam #72
Cmmm #65
Cmmm #65


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters: a h


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Fe O W


Wyckoff_letters_orig: i j

Wyckoff_letters_orig: g i

Wyckoff_letters: i j

Wyckoff_letters: g i


species: O Sn W

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mg Mn O

Wyckoff_letters_orig: a a a


species: O Sr W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Fe O Zn

species_pp: Fe_pv O Zn

crystal_class: ditrigonal-scalahedral


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Ca O W


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Mg O Ti

crystal_class_orig: ditrigonal-scalahedral


species: Fe Ni O

Wyckoff_letters_orig: a a b

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a b

Wyckoff_letters: a b


species: Ca Mg O


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Cl Ga Hg

species_pp: Cl Ga_h Hg

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Fe Nb O

Wyckoff_letters_orig: a g

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a g


species: Co O Sc

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


species: Ni O V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Mg O

species_pp: Co Mg_pv O


species: O V Zr


Wyckoff_letters_orig: c g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c e


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class: monoclinic-prismatic


species: Ca Co O

species_pp: Ca_sv Co O


species: O Sc Ti

Wyckoff_site_symmetries_orig: m m m m


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Ca O Sr


species: Br Hg Tl

species_pp: Br Hg Tl_d

Wyckoff_letters_orig: b a a c

Wyckoff_letters: b a a c


species: Mg O Sr

Wyckoff_letters_orig: c e


species: Ge Mg Te

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a


species: Gd O Rh

species_pp: Gd O Rh_pv

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cd Co O

species_pp: Cd Co O


species: Cd O W

crystal_class: dihexagonal-dipyramidal


species: Ca Fe O

Wyckoff_letters_orig: b e e

Wyckoff_site_symmetries_orig: -1 m m

crystal_class: hexoctahedral


species: Ca Cd O


species: Nb O Sc

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca Mg O

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: c h

Wyckoff_letters: b d

Wyckoff_letters: c h


species: Co O W

species_pp: Co O W_pv


species: Cr Mn O

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Co O Ti

species_pp: Co O Ti_sv

crystal_class_orig: ditrigonal-pyramidal


species: Ca Co O

Wyckoff_letters_orig: f i

Wyckoff_letters: f i


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Mg Ni O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: b b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: b b b


species: Nb O Zn

species_pp: Nb_sv O Zn


species: Mn O Sc

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Sc V

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Ca O Sr


species: Cr Nb O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cl Li Sc

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e e


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Co O Zr


species: Co O V

species_pp: Co O V_sv


species: Mn O Sr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Cd Co O


species: Nb O Sc


species: F Ga Tl

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Co O Sc

species_pp: Co O Sc_sv

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-dipyramidal


species: O Sr Zr

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


species: Ca Mn O

crystal_class_orig: orthorhombic-bipyramidal


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: g i

Wyckoff_letters: i j

Wyckoff_letters: g i


species: Mg O V


species: Fe Mn O

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: O Ti V


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe O Zn

species_pp: Fe_pv O Zn

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: O Sr W


species: I Li Ta

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Nb O Rb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: H O Y

species_pp: H O Y_sv

crystal_class_orig: hexagonal-dipyramidal


species: Hg I Se

species_pp: Hg I Se

Wyckoff_letters_orig: f h i

Wyckoff_letters_orig: e e i

Wyckoff_letters: f h i

Wyckoff_letters: e e i


species: Bi Cu Yb

crystal_class_orig: dihexagonal-dipyramidal


species: Rb S Ti

crystal_class: ditrigonal-pyramidal


species: Cl Cu O

species_pp: Cl Cu_pv O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Er Ni Pb


species: Hf Ni Sn

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC


species: I Na O

species_pp: I Na_sv O


species: B Gd Ni


species: Ba I O

species_pp: Ba_sv I O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i


species: O Pr V

species_pp: O Pr V_sv


species: Ca Cs F

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Nb O Ta

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: I Nb Rb

Wyckoff_letters_orig: e e e f f

Wyckoff_letters: e e e f f


species: Ca Cl Li

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a e


species: Cl Li Nb

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c c

Wyckoff_letters: c c d

Wyckoff_letters: c c


species: Cs Na O

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: I K Nb

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: I Li Nb

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Ca Cl Rb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: I K Pb

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a b e h

Wyckoff_letters: d c


species: F Pb Rb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters: i i


species: Ga O Ti

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: I Mg Rb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ce Co O

species_pp: Ce Co O


species: Ce Fe O

species_pp: Ce Fe_pv O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Ce Mn O

species_pp: Ce Mn_pv O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a b g g


species: O V Yb

species_pp: O V_sv Yb


species: Cu Er O


species: Cu O Yb

species_pp: Cu_pv O Yb


species: O Sm Yb

species_pp: O Sm_3 Yb


species: Mn Ni O

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i i i i i i


species: Na O Ta

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c c


species: Cl Li Nb

Wyckoff_letters_orig: a a b

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a b e


species: Ce Cr O

species_pp: Ce Cr_pv O

crystal_class_orig: rhombohedral


species: Cl Mg Pb


species: Co O Zn

species_pp: Co O Zn

crystal_class: monoclinic-prismatic


species: Cr O Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cu O Sr

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h


species: Eu O Ti

species_pp: Eu O Ti_sv

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a c

Wyckoff_letters: c c

Wyckoff_letters: f f


species: Mn Nd O

species_pp: Mn_pv Nd O

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b g


species: Mn O Zn

species_pp: Mn_pv O Zn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

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

crystal_class: triclinic-pedial

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


species: Fe O W

sg:
Cccm #66
Cccm #66
Cccm #66

sg2:
Cccm #66
Cccm #66
Cccm #66

Wyckoff_letters_orig: k l

Wyckoff_letters: k l


species: O Sm V

crystal_class_orig: ditrigonal-pyramidal


species: Ce O Sm

species_pp: Ce O Sm_3

crystal_class_orig: trigonal-pyramidal


species: Er O V


species: Ca O Pb

Wyckoff_letters_orig: b e e e e

Wyckoff_letters: b e e e e


species: Cu O Tb

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a


species: Mg O Zr

Wyckoff_letters_orig: b d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b d


species: O Sn Zn

species_pp: O Sn Zn


species: Cl Hg Mn

species_pp: Cl Hg Mn_pv

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Nb O Sc


species: Ca Cl Tl

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

Wyckoff_letters: c l

Wyckoff_letters: a h


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: e e


species: Co O Zn

crystal_class: dihexagonal-dipyramidal


species: O Sn V

species_pp: O Sn V_sv

crystal_class_orig: orthorhombic-bipyramidal


species: Ca Nb O

crystal_class: tetragonal-pyramidal

Wyckoff_letters: a a


species: Fe O V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd O Ti

species_pp: Cd O Ti_sv

crystal_class_orig: monoclinic-prismatic


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: F K Mg

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a b

Wyckoff_letters: c d

Wyckoff_letters: a b


species: O W Zr

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: a a a a a


species: Fe O Sr


Wyckoff_letters_orig: b c e


species: Nb Ni O

crystal_class_orig: ditetragonal-dipyramidal


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: c a


species: Co O Sn

species_pp: Co O Sn


species: Co O V

species_pp: Co O V_sv


species: Ga Nb Rh

crystal_class_orig: dihexagonal-dipyramidal


species: Cr O Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Li Si Zn

species_pp: Li_sv Si Zn


species: Ge Se Sn

species_pp: Ge_h Se Sn

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Nb O Sc


species: Cr O W

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca O Sc

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Ca O W

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: b i

Wyckoff_letters: i i i

Wyckoff_letters: d i


species: Cr Nb O

crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c h p

Wyckoff_site_symmetries_orig: mmm 2mm ..m

Wyckoff_letters: a f

Wyckoff_letters: c h p

Wyckoff_site_symmetries: mmm 2mm ..m


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg Nb O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: c g

Wyckoff_letters: c j


species: Sn Te Zn

species_pp: Sn Te Zn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Ge Se Zn

species_pp: Ge_h Se Zn

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: d d

Wyckoff_letters: a c


species: Ca O Sr


species: O Sn Zn


species: O V W

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: a i i i

Wyckoff_letters: i i


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Pb S Zn

species_pp: Pb_d S Zn

sg:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: d d f g

Wyckoff_letters: a d

Wyckoff_letters: d d f g


species: Nb O Sr


species: O W Zn

species_pp: O W_pv Zn

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Cl Ga K

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: b f

Wyckoff_letters: e l

Wyckoff_letters: b f


species: Cl N P

species_pp: Cl N P

Wyckoff_letters_orig: a a b b b

Wyckoff_letters_orig: a b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a b b b

Wyckoff_letters: a b


species: Nb O Sc


species: Cr O Sc


species: Cr Mn O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Ni O

species_pp: Co Ni_pv O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca Cd O

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g h i

Wyckoff_letters: e h

Wyckoff_letters: f g h i


species: Nb O Sn

species_pp: Nb_sv O Sn

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: g g g h

Wyckoff_letters: e g

Wyckoff_letters: g g g h


species: Cd O Sc

species_pp: Cd O Sc_sv

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: a i i i

Wyckoff_letters: a i i i


species: Cr Fe O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Co Mn O

species_pp: Co Mn_pv O

crystal_class: rhombohedral


species: O Sn Ti

species_pp: O Sn Ti_sv

crystal_class: ditrigonal-pyramidal


species: Ca O V


species: Mg O Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O W Zr

crystal_class: ditrigonal-scalahedral


species: Ca Cu O

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: Cr Mg O

Wyckoff_letters_orig: a a


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Fe O Sr

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: O Ti Zr


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c c


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: a k

Wyckoff_letters_orig: d e

Wyckoff_letters: a k

Wyckoff_letters: d e


species: Mn O W

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: c f


species: O Sr V


species: O Ti V

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Fe O Zr


species: O Sc Sn

species_pp: O Sc_sv Sn


species: Mn O Zn

species_pp: Mn_pv O Zn

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Nb O Zr


species: Cd O V

species_pp: Cd O V_sv


species: Nb O Sr


species: Ca O Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni O V


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Cr O V

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a


species: Ge Mg S

sg:
Pbam #55
Pbam #55
Cmmm #65

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: a b f f k

Wyckoff_letters_orig: e f h k k

Wyckoff_letters: a b f f k

Wyckoff_letters: e f h k k


species: Co Mn O


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: c a


species: Co O Zr

species_pp: Co O Zr_sv


species: O Sr W

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Sr Ti

Wyckoff_letters_orig: c h p

Wyckoff_letters_orig: a f

Wyckoff_letters: c h p

Wyckoff_letters: a f


species: Ni O W

crystal_class_orig: rhombohedral


species: Nb O Ti


species: Mg O Ti


species: Bi O Ti


species: Ca Mg O


Wyckoff_letters_orig: e g

Wyckoff_letters_orig: g g g h

Wyckoff_letters: e g

Wyckoff_letters: g g g h


species: Cd O Ti

species_pp: Cd O Ti_sv

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a g h

Wyckoff_letters_orig: b f n

Wyckoff_letters: a g h

Wyckoff_letters: b f n


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Fe O V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


aflow_prototype_params_list_orig: a c/a z2


species: O Ti Zr

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

Wyckoff_letters: i i j

Wyckoff_letters: a i


species: Cr O Zr

Wyckoff_letters_orig: a c f h

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: e e e


species: Mn Ni O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a


Wyckoff_letters_orig: a b


species: Fe O Sr


species: Ag Bi I

species_pp: Ag Bi_d I

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: d d


species: Cd Mn O

species_pp: Cd Mn_pv O


species: O Sc Zn

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a


species: Cr O Ti

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Mg Sn Te

species_pp: Mg_pv Sn Te

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ni O Sn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: d a

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g h

Wyckoff_letters: a d


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn O Zr

Wyckoff_letters_orig: e f


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Ni O Ti

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ca O W

Wyckoff_letters_orig: c c


species: O Sc Ti

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Cd Ni O


species: Fe Nb O


crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ca O Sc

crystal_class_orig: monoclinic-prismatic

crystal_class: ditetragonal-dipyramidal


species: Cr O Sc


species: O Sn Sr

Wyckoff_letters_orig: a d


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Cd O Sn

species_pp: Cd O Sn

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

crystal_class_orig: orthorhombic-bipyramidal


species: Ca O V

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ni O Sc


species: O Sc V

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: i h


species: Fe O Ti


species: Cd O Ti

crystal_class: hexoctahedral


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Mn O Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Co O W

species_pp: Co O W_pv


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Fe In O

Wyckoff_letters: c c


species: O W Zn

species_pp: O W_pv Zn


species: Br Li Mg


species: Nb O W

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g

Wyckoff_letters: b g g


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class_orig: ditrigonal-pyramidal


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mg O V


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Nb O Zn

species_pp: Nb_sv O Zn


species: Cu O Sr

sg:
Pmmn #59
Pmmn #59
Immm #71

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: O Sn W

species_pp: O Sn W_pv

crystal_class_orig: ditrigonal-scalahedral


species: O Sc Sr


species: Cr O Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a


species: O Sr Zr

Wyckoff_letters_orig: a e


species: Ni O Ti

Wyckoff_letters_orig: c c c d

Wyckoff_letters_orig: a c

Wyckoff_letters: c c c d

Wyckoff_letters: a c


species: Br Hf Li

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters: f j


species: Cd O Zn

species_pp: Cd O Zn


species: Ca Fe O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O Sn V

species_pp: O Sn V_sv


species: Nb Ni O


species: Cd Cr O

species_pp: Cd Cr_pv O

sg2:
Ibam #72
Ibam #72
Cmmm #65

Wyckoff_letters_orig: d e

aflow_prototype_params_list_relax: a b/a c/a x4


species: Mg Pb S


species: Co O W


species: Nb O Sr


species: Mg O Zr


species: Ca O Zr

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal


species: O W Zr


species: Cd O Sn

species_pp: Cd O Sn

crystal_class_orig: dihexagonal-pyramidal


species: Cr O Sn

species_pp: Cr_pv O Sn


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ca O Sn


Wyckoff_letters_orig: b c e


species: Mg O Ti


species: Pb Se Sn

species_pp: Pb_d Se Sn

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: d d f g

Wyckoff_letters_orig: a d

Wyckoff_letters: d d

Wyckoff_letters: d d f g

Wyckoff_letters: a d


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Co Ni O

species_pp: Co Ni_pv O


species: Nb O W

Wyckoff_letters: a e


species: Cr O V


species: Nb Ni O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Nd O Ta

species_pp: Nd O Ta_pv

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Sr Zr


species: Fe O Sn

species_pp: Fe_pv O Sn

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Ca Cr O

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ca O Ti

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca O V


species: Cr Mn O


species: Nb O Zr

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cd Ni O

species_pp: Cd Ni_pv O


species: O Sc Zr


species: Mg O Zr


species: Co Fe O

species_pp: Co Fe_pv O


species: O Pr Sn

species_pp: O Pr Sn


species: Mg O Sc

Wyckoff_letters_orig: a b


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g


species: Fe O Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg Sn Te

species_pp: Mg_pv Sn Te

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Fe Mg O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal


species: Cr Fe O

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: S Sn Zn

species_pp: S Sn Zn

Wyckoff_letters_orig: c e f

Wyckoff_letters_orig: a e

Wyckoff_letters: c e f


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: O Ru Sc


species: Ca Ni O


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Mg O V

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: b c

Wyckoff_letters: d h

Wyckoff_letters: a c


species: Mn O W


Wyckoff_letters: c e


species: Mn O V


species: Co Mn O

species_pp: Co Mn_pv O


species: Mg O W

Wyckoff_letters_orig: b c e


species: Mn Ni O


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Mg Mn O

Wyckoff_letters: a b


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class: ditrigonal-pyramidal


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Fe O Ti

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: i j

Wyckoff_letters: h i

Wyckoff_letters: i j


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: c e


species: Fe Mn O


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: F Hg Ta

species_pp: F Hg Ta_pv

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e e

Wyckoff_letters: e e


crystal_class: dihexagonal-pyramidal


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Mn Nb O


species: Ca O Sc


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters: c k

Wyckoff_letters: h g n


species: Mn O Zr


Wyckoff_letters_orig: g g

Wyckoff_letters_orig: f e e

Wyckoff_letters: g g

Wyckoff_letters: f e e


species: Fe Mg O


species: Cd O Sr

species_pp: Cd O Sr_sv

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Mo O Y

Wyckoff_letters_orig: f f f f f f

Wyckoff_letters_orig: e e f

Wyckoff_letters: f f f f f f

Wyckoff_letters: e e f


species: Bi O Ti

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a


species: Cd O W

species_pp: Cd O W_pv


species: Cr O Zr


Wyckoff_letters_orig: c e e g

Wyckoff_letters_orig: a e

Wyckoff_letters: c e e g

Wyckoff_letters: a e


species: Mg Nb O

crystal_class: orthorhombic-bipyramidal


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: a b


species: Ca Nb O

crystal_class: monoclinic-prismatic


species: Fe O Sr

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mn O Sr

Wyckoff_letters_orig: f f


species: Mg O Zn


species: Mg Pb S

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co O Sn

species_pp: Co O Sn


species: Co Fe O

species_pp: Co Fe_pv O


species: Mg O Zr

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: g h

Wyckoff_letters: e i


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Nb O Zn

species_pp: Nb_sv O Zn


species: Cr F Mn

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: Mn O Sc

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O W Zr


species: Ca Fe O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca O Sr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Ni O Ti

crystal_class_orig: monoclinic-prismatic


species: O Sc Zn

species_pp: O Sc_sv Zn


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: h j

Wyckoff_letters: a i

Wyckoff_letters: h j


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Ca O W


species: Ca Co O

species_pp: Ca_sv Co O


species: Cl Hg Ni

species_pp: Cl Hg Ni_pv

Wyckoff_letters_orig: c g g g

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b d

Wyckoff_letters: e k i

Wyckoff_letters: a j

Wyckoff_letters: b c


species: Bi O Ti

Wyckoff_letters_orig: a e


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr O V

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


species: Nb O Zn


species: Cl Ni Ti

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58


species: Mn O V

crystal_class_orig: tetragonal-disphenoidal


species: O Ti V


species: Mg O Rb

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Cs I Mg

Wyckoff_letters_orig: a a c

Wyckoff_letters: e h


species: K Nb O

Wyckoff_letters_orig: i f

Wyckoff_letters: i f


species: K O Pb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

Wyckoff_site_symmetries_orig: .m .m .m

Wyckoff_letters: a a a

Wyckoff_letters: b b b

Wyckoff_site_symmetries: .m .m .m


species: Mg O Ta

Wyckoff_letters_orig: c e g

Wyckoff_letters: c e g


species: Nb O Pb

Wyckoff_letters_orig: a c

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: a c


species: O Pb Rb

Wyckoff_letters_orig: a j

Wyckoff_letters_orig: g h i

Wyckoff_letters: g h i


species: Co Sc Si

species_pp: Co Sc_sv Si

crystal_class_orig: dihexagonal-dipyramidal


species: Na O Pb

crystal_class: tetragonal-trapezoidal


species: Ga Hf Pt

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-dipyramidal


species: Ag As Se

species_pp: Ag As Se

crystal_class_orig: ditrigonal-scalahedral


species: Al Fe Mo

crystal_class: hexoctahedral


species: K Ni O

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: a a a b b

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a b b

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating

Wyckoff_letters: a a a b b

Wyckoff_letters: a a

Wyckoff_letters: a b b


species: F Pb Rb

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: a b e h

Wyckoff_letters_orig: i i

Wyckoff_letters: d c


species: Cs I Nb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b j

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b j


species: I Mg Rb

Wyckoff_letters_orig: b h


species: I Li Pb

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class: monoclinic-domatic


species: F K Pb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Nb Rb

Wyckoff_letters_orig: a h p

Wyckoff_letters: a h p


species: Li O Ta

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-pyramidal


species: I K Pb

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a g g h

Wyckoff_letters_orig: d h

Wyckoff_letters: a g g h

Wyckoff_letters: d h


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Li O Rb

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c f

Wyckoff_letters: c c

Wyckoff_letters: c f


species: O Rb Ta

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: h k

Wyckoff_letters: b f


species: Ca I Rb

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: F Mg Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: F Nb Pb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a


species: I K Nb


species: Ce Co O

species_pp: Ce Co O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: a c c d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c

Wyckoff_letters: a c c d


species: Nb O Ta

sg:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a


species: Ce Cr O

species_pp: Ce Cr_pv O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a g g


species: Ce Cu O

species_pp: Ce Cu_pv O

crystal_class_orig: tetragonal-pyramidal

crystal_class: tetragonal-pyramidal

Wyckoff_letters: b b


species: Cu O Zn

species_pp: Cu_pv O Zn


species: Cs I Pb

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters_orig: a b c

Wyckoff_letters: f f f

Wyckoff_letters: e c


species: Ag Mo S

species_pp: Ag Mo_pv S

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: b a c


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Fe O Sc

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b b

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

Wyckoff_letters_orig: a a a

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

Wyckoff_letters: a a a b b b

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

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


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Cr O Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: b d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: i i

Wyckoff_letters: b d


species: Ca Ni O

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: O V W

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


species: O S Zn

species_pp: O S Zn

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: b b d

Wyckoff_letters: a e

Wyckoff_letters: b b d


species: Ca Fe O

Wyckoff_letters_orig: g g


species: Mn O Zr


species: O Sc Sr

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: f g

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: f g


species: Pb Se Zn

species_pp: Pb_d Se Zn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cr Nb O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Cu O Zn

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Fe Ni O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: hexoctahedral


species: Br Hg Mn

species_pp: Br Hg Mn_pv

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Bi O Ti

crystal_class_orig: tetragonal-trapezoidal


species: Br K Nb

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e e

Wyckoff_letters: e e


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Cr O Ti

Wyckoff_letters_orig: b f


species: Ni O Sc

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


species: Ni O Sr


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mn O Sn

species_pp: Mn_pv O Sn


species: Nb O Ti

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI


species: Mg O V


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: dihexagonal-dipyramidal


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Mg Nb O


species: Ca Cr O

Wyckoff_letters_orig: a a a a b b

Wyckoff_site_symmetries_orig: m m m m 1 1

Wyckoff_letters: a a a a b b

Wyckoff_site_symmetries: m m m m 1 1


species: F Hf Rb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Mg O

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: O Sc Ti


species: Cr O V

crystal_class_orig: ditrigonal-pyramidal


species: Cr Mn O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: O Sr Zr


species: Mg Pb Se

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: b e

Wyckoff_letters: c f


species: Cr O Sc

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


Wyckoff_letters_orig: f f


species: O V W


Wyckoff_letters: b e


species: Co Nb O

species_pp: Co Nb_sv O


Wyckoff_letters_orig: i i i i


species: Cd O Zn

species_pp: Cd O Zn


species: Cr O Sn

species_pp: Cr_pv O Sn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: c g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c e


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Ca Ni O

Wyckoff_letters: h l


species: Mn Ni O

crystal_class: ditrigonal-pyramidal


species: Cd Cs I

species_pp: Cd Cs_sv I

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: O Pb Zr

Wyckoff_letters_orig: a e


species: Ni O W

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: a c

Wyckoff_letters: b c

Wyckoff_letters: d h

Wyckoff_letters: a c


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal


species: O Sc Ti


species: Cl Cu Ga

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: a b

Wyckoff_letters: c d c


species: Fe Mg O


species: Nb O Sr


species: Mg O V

Wyckoff_letters_orig: a e e

Wyckoff_letters: a c c


species: Co Mg O

species_pp: Co Mg_pv O

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co O Ti

species_pp: Co O Ti_sv

crystal_class_orig: hexoctahedral


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g

Wyckoff_letters: a e


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Co Nb O


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Nb Ni O


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Nb O V

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Mn O Ti


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i i


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Fe Nb O


species: Al Pt Ti

species_pp: Al Pt Ti_sv

crystal_class: dihexagonal-dipyramidal


species: Ca Mn O


species: Cr O Sc

sg:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Br Li Ti

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Mn Nb O


species: Fe O Sn

species_pp: Fe_pv O Sn


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


species: Mg O W

Wyckoff_letters_orig: e f f f f

Wyckoff_letters: e f f f f


species: Mg O V

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: a i j


species: Fe Mg O


species: O V W

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: a b e

Wyckoff_letters: e e e e

Wyckoff_letters: a b e


species: O Ti Zn

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: a i i i

Wyckoff_letters: i i


species: O Sr V

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


Wyckoff_letters_orig: f f

aflow_prototype_params_list_relax: a b/a c/a z3


species: Br Mn Zn

species_pp: Br Mn_pv Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c c c


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg Mn O

crystal_class: rhombohedral


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters: a a


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Ni O Sn

species_pp: Ni_pv O Sn


species: O Sn Sr


species: Ir O V

species_pp: Ir O V_sv

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Cd O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Fe O Sc

Wyckoff_letters_orig: c h p

Wyckoff_letters_orig: a f

Wyckoff_letters: c h p

Wyckoff_letters: a f


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Mn Ni O

Wyckoff_letters_orig: i i i i


species: Cr O Ta

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Mg S Sn

species_pp: Mg_pv S Sn

Wyckoff_letters_orig: b e

Wyckoff_letters: b c


species: Ca Cr O

Wyckoff_letters_orig: a i

Wyckoff_letters: a i

Wyckoff_letters: i i i i


species: Mn Nb O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca O Ti


species: Ca O Sn

species_pp: Ca_sv O Sn


sg:
Pmmm #47
Pmmm #47
Pmmm #47


species: Nb O W


species: Fe O Sr


species: Cr O Sr


species: Br Cr Cu

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a b

Wyckoff_letters: c d

Wyckoff_letters: a b


species: Co Nb O

species_pp: Co Nb_sv O


species: Fe Mg O

crystal_class_orig: rhombohedral


Wyckoff_letters_orig: a a


species: Mg Ni O


species: Co Ni O

species_pp: Co Ni_pv O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i i


species: Co O Ti

species_pp: Co O Ti_sv


species: Cd Mg O

species_pp: Cd Mg_pv O


species: O Sr Ti

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Cd Cr O

Wyckoff_letters_orig: b g


species: Bi Cu O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: c c

crystal_class: ditetragonal-pyramidal


species: Co Cr O

species_pp: Co Cr_pv O


Wyckoff_letters_orig: a a a a

Wyckoff_letters: g g


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ni O Ti


species: Fe O Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O V Zn

species_pp: O V_sv Zn


aflow_prototype_params_list_relax: a c/a z2


species: Ca O W

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Ca Cr O


species: Cd Nb O


species: O Sn Zr

species_pp: O Sn Zr_sv


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


species: Cr O W

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Fe O V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: a c g

Wyckoff_letters_orig: i j

Wyckoff_letters: a c g

Wyckoff_letters: i j


species: Mg Se Sn

species_pp: Mg_pv Se Sn


species: Co O Zn

species_pp: Co O Zn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f


species: Co O Sr

species_pp: Co O Sr_sv


species: Ge Mg S


species: Ge Pb Se

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe Mg O


species: Fe O W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


crystal_class: hexagonal-trapezoidal


crystal_class: ditrigonal-scalahedral


species: Mg Mn O

Wyckoff_letters_orig: c c c


species: Pb Se Sn

species_pp: Pb_d Se Sn


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


species: Mn O Sr

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mn O Ti


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca O Sc


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: i i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: i i


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i j

Wyckoff_letters: a i


species: Cr O V


species: Nb O Sn

species_pp: Nb_sv O Sn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i a


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: ditrigonal-scalahedral


species: Hg Mo O

species_pp: Hg Mo_pv O


species: Bi O Ti

crystal_class: orthorhombic-bipyramidal


species: Co O V

species_pp: Co O V_sv


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Cl Sn Tl

species_pp: Cl Sn Tl_d

crystal_class_orig: ditetragonal-dipyramidal


species: Cd O Zn

species_pp: Cd O Zn


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Fe O W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd O V

species_pp: Cd O V_sv

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Nb O W

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Co O Sn

species_pp: Co O Sn


species: Cr Nb O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Nb O Sc

Wyckoff_letters_orig: d g

Wyckoff_letters: d i


sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: O W Zr


species: Cr O Ti

crystal_class: hexoctahedral


species: Mg Mn O

Wyckoff_letters_orig: e e f f f

Wyckoff_letters: e e f f f


species: O Ti Zr


species: Cd Fe O


species: Ni O Zr

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: Ca Fe O


species: Cd O Ti

species_pp: Cd O Ti_sv


species: O Sn Zr

species_pp: O Sn Zr_sv


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Nb O Sn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Ca Mg O


crystal_class_orig: triclinic-pinacoidal


species: O Ti V

crystal_class_orig: dihexagonal-dipyramidal


species: Ca O Ti

crystal_class: ditetragonal-dipyramidal


species: Mg O Sr


species: Cu Ni O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr O Sr

Wyckoff_letters_orig: a b

Wyckoff_letters: a g


species: Mn O Sn

species_pp: Mn_pv O Sn


species: Cd O Zr

species_pp: Cd O Zr_sv

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: Nb Ni O


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Br Cu Ta


species: O Sc Ti


species: Cd O Zn

Wyckoff_letters: c f


species: Fe Nb O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Fe Mg O


species: Nb O Zr


species: Mn O W


species: Cr O W

Wyckoff_letters: c c


Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Co Mn O

species_pp: Co Mn_pv O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca Cd O

species_pp: Ca_sv Cd O


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: c c


species: O Ti Zr


species: Bi O Ti


species: Ag Cl Re

species_pp: Ag Cl Re_pv


species: Ni O Sr

Wyckoff_letters_orig: a c m

Wyckoff_site_symmetries_orig: mmm mmm ..2

Wyckoff_letters: a c m

Wyckoff_site_symmetries: mmm mmm ..2


species: Mg Nb O

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ni O Zr

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Nb O W

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: Ge Mn O


species: Cl Rb Ti

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b c

Wyckoff_letters: e h i

Wyckoff_letters: b c


species: Fe O Zr

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a


species: Sn Te Zn

species_pp: Sn Te Zn

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters: i i i i i i i i i


species: Fe O Zn

species_pp: Fe_pv O Zn


species: Cr O Sn

species_pp: Cr_pv O Sn


species: Br N P

species_pp: Br N P

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Mg O W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Nb O


species: Fe O W


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: Cr Mg O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a h


species: Ni O Sn

species_pp: Ni_pv O Sn

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Cr Fe O

Wyckoff_letters_orig: a a a a a a

crystal_class: ditrigonal-pyramidal


species: Ca Mn O


species: Ni O Zn

species_pp: Ni_pv 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: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: c d e e

Wyckoff_letters: c d

Wyckoff_letters: c d e e


species: Co Nb O

species_pp: Co Nb_sv O


species: Ca O Sr


species: Mn O Ti

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O V Zn

species_pp: O V_sv Zn


species: Mg O Zn

species_pp: Mg_pv O Zn


species: O Ti W

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: As Pb S

species_pp: As Pb_d S

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c


species: Bi O Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: c a


species: Fe O Zr

crystal_class_orig: ditrigonal-pyramidal


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Mn O Sc


species: Co O Zn

species_pp: Co O Zn


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Ca Cd O

species_pp: Ca_sv Cd O


species: O W Zr


species: Cr O W

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: b e g

Wyckoff_letters: a e

Wyckoff_letters: b e g


species: Ca O V

Wyckoff_letters_orig: a b

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Ca Ni O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: rhombohedral


species: Mn O Sn

species_pp: Mn_pv O Sn

crystal_class: orthorhombic-pyramidal


species: Cd Cr O

species_pp: Cd Cr_pv O

sg:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: c a


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: i h

Wyckoff_letters: i h


species: Cd Ni O

species_pp: Cd Ni_pv O


species: O Sc Zr


species: Ca Nb O


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a a b b

crystal_class: tetrahedral

Wyckoff_letters: a b

Wyckoff_letters: a a b b


species: Ca O Sc


species: Mn Ni O

Wyckoff_letters: e e


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: b c e


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: a c m

Wyckoff_letters: a c m


species: Ca Mg O


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co O V

species_pp: Co O V_sv


species: Ca O Ti


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: c d


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ge Se Zn

species_pp: Ge_h Se Zn

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


Wyckoff_letters_orig: a a a


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Pb Te Zn

species_pp: Pb_d Te Zn

Wyckoff_letters: c d


species: Fe Nb O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: d g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f

Wyckoff_letters: d g


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mg O Zr

Wyckoff_letters_orig: a e e

Wyckoff_letters: a c c


species: Nb O Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb O Ti


species: F Rb Tl

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Ge Pb Te


species: Ni O Sr

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Cl Fe K

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Mg O Sc

Wyckoff_letters_orig: c h p

Wyckoff_letters: c h p


species: O Sc Sr

aflow_prototype_params_list_relax: a b/a c/a


species: Ca Co O

Wyckoff_letters_orig: g h i

Wyckoff_letters_orig: a j

Wyckoff_letters: g h i

Wyckoff_letters: a j


species: Co Mn O

species_pp: Co Mn_pv O

crystal_class_orig: tetragonal-disphenoidal


species: O Ti W

Wyckoff_letters_orig: c d g

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e

Wyckoff_letters: c d g

Wyckoff_letters: e e

Wyckoff_letters: a e


species: O Zn Zr

species_pp: O Zn Zr_sv

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Nb O Sc


species: O Ti V


species: Co Cr O

species_pp: Co Cr_pv O


species: Fe O Zr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd O V

species_pp: Cd O V_sv


species: Ru Si Sm


crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: b b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a

Wyckoff_letters: b b b


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Cd Mn O

species_pp: Cd Mn_pv O


species: Br Na Nb


species: Nb O Ti

crystal_class_orig: tetragonal-scalenoidal


species: Mg O Sr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Ca O Sc


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd Nb O

sg2:
Fddd #70
Fddd #70
Fddd #70


species: Bi O Ti

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


species: Ca Cr O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: Co O Sn

species_pp: Co O Sn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e f

Wyckoff_letters: e e f


species: Li O Ta

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a k

Wyckoff_letters_orig: d e

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a k

Wyckoff_letters: d e


species: Cs I K

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cs O Ta

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

Wyckoff_letters_orig: a a a

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


species: Nb O Pb

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: O Pb Ta

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i


species: I K Ta

Wyckoff_letters_orig: e j

Wyckoff_letters: i o


species: Cs Mn P


species: Eu Pd Si

species_pp: Eu Pd_pv Si


species: Ag I S

species_pp: Ag I S


species: Er Ga Zn

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Gd I S

species_pp: Gd I S

crystal_class_orig: trigonal-dipyramidal


species: Cs F Nb

crystal_class: rhombohedral


species: F Mn Na

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Gd O S

species_pp: Gd O S

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: Cl K Zn

species_pp: Cl K_sv Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a a a


species: Cl Li Rb

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: I Li Pb

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: e f

Wyckoff_letters: g g g

Wyckoff_letters: e f


species: Ca Cl Pb

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Nb O Ta

Wyckoff_letters_orig: a e

crystal_class: monoclinic-prismatic

Wyckoff_letters: a e


species: F Pb Rb

sg:
Cm #8
Cm #8
Cm #8


species: K Nb O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e f

Wyckoff_letters: e e

Wyckoff_letters: e e f


species: Na O Rb


species: Nb O Rb

crystal_class: orthorhombic-bipyramidal


species: O Pb Rb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a


species: Ca I Na

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: b c

Wyckoff_letters: a c

Wyckoff_letters: d h

Wyckoff_letters: b c


species: Cl Rb Ta


species: Li O Pb

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i i

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i i

Wyckoff_letters: i i i i


species: K O Pb


species: Cr Cu O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ce O Ti

species_pp: Ce O Ti_sv

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Cu Eu O

species_pp: Cu_pv Eu O

crystal_class: ditetragonal-dipyramidal


species: O Tb V

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c c

Wyckoff_letters: a b g g

Wyckoff_letters: c c


species: Co Er O

species_pp: Co Er_3 O

Wyckoff_letters_orig: c d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: c d


species: Cl Mg Na


species: F Na Nb

sg:
Pbcn #60
Cmcm #63
Cmcm #63

sg2:
Pbcn #60
Pbcn #60
Cmcm #63

Wyckoff_letters: c g


Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Ce O Zn

species_pp: Ce O Zn

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: c e

Wyckoff_letters: c i

Wyckoff_letters: c e


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: a a a a

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a

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


species: Mn O Pr

species_pp: Mn_pv O Pr

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b b b

Wyckoff_letters: a a


species: O Sm Zn

species_pp: O Sm_3 Zn

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: a c


species: Dy O V

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: Ca O W

Wyckoff_letters: i i i


species: O W Zn

species_pp: O W_pv Zn


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Br Rb Sc

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Fe O W

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cd O Sn

species_pp: Cd O Sn


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr O Sc

Wyckoff_letters_orig: i i i


species: Ca Mg O


species: Co O Sn

species_pp: Co O Sn

crystal_class_orig: trigonal-pyramidal


species: Cr O Sr

Wyckoff_letters_orig: g i i j

Wyckoff_letters_orig: i i

Wyckoff_letters: g i i j

Wyckoff_letters: i i


species: O V Zn

species_pp: O V_sv Zn


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal


species: Ca O Sr

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

crystal_class: hexoctahedral

Wyckoff_letters: b c


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O W Zr


species: O V W

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: b b b

Wyckoff_letters: a a a


species: Cd Mn O

species_pp: Cd Mn_pv O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Co Nb O

sg:
Ibam #72
Cmmm #65
Cmmm #65

sg2:
Ibam #72
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f


species: Co F Fe

species_pp: Co F Fe_pv

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Cr Fe O


species: Cr Mn O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni O W


species: Cl Co Rb

species_pp: Cl Co Rb_sv

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: b f

Wyckoff_letters: e l

Wyckoff_letters: b f


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Mg Ni O


species: O Sr V

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: tetragonal-scalenoidal


species: Mg Sn Te

species_pp: Mg_pv Sn Te

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr F Rb

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c g g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a c

Wyckoff_letters: e k i

Wyckoff_letters: b j


species: Fe Nb O

crystal_class: tetragonal-dipyramidal


crystal_class_orig: monoclinic-prismatic


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c a h

Wyckoff_letters: i j

Wyckoff_letters: c a h


species: Ca Nb O

crystal_class_orig: ditetragonal-dipyramidal


species: Cr O Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: a b i

Wyckoff_letters: i i i i i

Wyckoff_letters: a b i


species: Mg O Sc

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Cr Mg O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F K Ni

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: O Sr Zr


species: Fe O V


species: Ca Mg O


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Co O W

species_pp: Co O W_pv


species: Cr Ni O

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

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

Wyckoff_letters: i i


species: Ca Cr O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: c e f


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: a b b

Wyckoff_site_symmetries_orig: 3m .m .m

Wyckoff_letters: a b b

Wyckoff_site_symmetries: 3m .m .m


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j


species: Mg O Ti


species: Ca Mn O

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters: b g


species: Co O Zn

species_pp: Co O Zn


species: Ca O Ti


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters: a d


species: Nb O W

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


Wyckoff_letters_orig: c e

Wyckoff_letters: c e