species: Mg Nb O

sg:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters: a b

Wyckoff_letters: a a b b

Wyckoff_letters: a a b b c c

Wyckoff_site_symmetries: m m m m 1 1


species: O Sc V

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a c f

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: a c f


species: Ge S Sn

species_pp: Ge_h S Sn

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: a h

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

Wyckoff_letters: a h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: O W Zn

species_pp: O W_pv Zn

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: g h

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: g h


species: Fe O Sn

species_pp: Fe_pv O Sn

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: a d

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

Wyckoff_letters: a d


species: Pb Sn Te

species_pp: Pb_d Sn Te

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: F Hf Tl

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

crystal_class_orig: tetragonal-trapezoidal

point_group_type_orig: enantiomorphic

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

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: c g g g

Wyckoff_letters_orig: b g

crystal_class: tetragonal-trapezoidal

point_group_type: enantiomorphic

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: c g g g

Wyckoff_letters: b g


species: Ca O Sn

species_pp: Ca_sv O Sn

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn O Zr


species: Cr O Sr

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: a i

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: a i


species: O Sr Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Ca O V

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Cr O Zr

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Nd O Pd

species_pp: Nd O Pd_pv

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Bi O Ti

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: b f

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Fe Ni O

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i i

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: g g


species: O V Y

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

crystal_class: trigonal-pyramidal

point_group_structure: cyclic

Wyckoff_letters: b b b

Wyckoff_letters: a a a

Wyckoff_letters: a a a a


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

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


species: Ca O Sr

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


species: O Ti Zr

Bravais_lattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Br K Mn

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cr Mn O

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

Wyckoff_letters_orig: 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 i


species: O Ti W


species: Ca O Sc


species: Fe O Zn

species_pp: Fe_pv O Zn

crystal_class: rhombohedral


species: O V W

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: b c

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Wyckoff_letters: b c


species: Eu F O

species_pp: Eu F O


species: Nb O V


species: Cr O Sr

Wyckoff_letters_orig: c h p

Wyckoff_site_symmetries_orig: mmm 2mm ..m

Wyckoff_letters: c h p

Wyckoff_site_symmetries: mmm 2mm ..m


species: Cd F Nb

species_pp: Cd F Nb_sv

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: c c c c

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Wyckoff_letters: c c c c


species: Cr O W

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Fe Mn O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a


species: Co Nb O

species_pp: Co Nb_sv O

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Ca Fe O

Wyckoff_letters_orig: a b b

Wyckoff_site_symmetries_orig: 3m .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b b

Wyckoff_site_symmetries: 3m .m .m


species: Mn O Zr

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: Mg O V


species: Ca Mn O


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Br Ti Tl

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Mn O Ti


species: In O V


species: Mn O Sc

sg:
Imma #74
Imma #74
Imma #74

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: h g i

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

Wyckoff_letters: g e


species: Ni O Sn

species_pp: Ni_pv O Sn

Bravais_lattice_orig: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: c g


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i i i i


species: Ca Na O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cs Nb O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF


species: K Nb O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: c g g

Wyckoff_letters_orig: a d g

Wyckoff_letters: c g g

Wyckoff_letters: a d g


Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c

Wyckoff_letters: c c d


species: I Nb Rb

Wyckoff_letters_orig: e i

Wyckoff_letters_orig: b d

Wyckoff_letters: e i

Wyckoff_letters: b d


species: K O Pb


species: Mg Na O

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: Mg O Pb

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Na Nb O

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Na O Ta

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Nb O Ta

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Sr V

Wyckoff_letters_orig: f h k

Wyckoff_letters_orig: d e g

Wyckoff_letters: f h k

Wyckoff_letters: d e g


species: Cr Ge Sm


species: N O S

species_pp: N O S


species: Au Ba Sb

species_pp: Au Ba_sv Sb

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries: m m


species: B In O


species: Ca F Rb


species: Ni O Sb

species_pp: Ni_pv O Sb

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d d

Wyckoff_letters_orig: a a c c b b d d

Wyckoff_letters: d d

Wyckoff_letters: a a b b c c d d


species: Ca O Pb

sg:
Ima2 #46
Pnma #62
Pnma #62

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c c


Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Nb O Pb

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m m m m m m

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: e e e e e e e

Wyckoff_letters: e e e

Wyckoff_site_symmetries: m m m m m m m

Wyckoff_site_symmetries: m m m


species: Cl Li Mg

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F Kr Sb

species_pp: F Kr Sb

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

Wyckoff_letters_orig: i i i

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

Wyckoff_letters: i i i


species: I Pb Rb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Mg Rb

Wyckoff_letters: d c c

Wyckoff_letters: a c


species: Li O Pb

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mg Mn O

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: a d

Wyckoff_letters: i i i i

Wyckoff_letters: i i i i i i i


species: Cu O Ti

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Ga Mn O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Dy Ho O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters: g g g


species: Cr O Yb

species_pp: Cr_pv O Yb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ho O Sm

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ce Cr O

species_pp: Ce Cr_pv O

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: a d g

Wyckoff_letters: b d

Wyckoff_letters: a d g


species: O Pm Ti

species_pp: O Pm Ti_sv


species: O Tb Zn

species_pp: O Tb_3 Zn

crystal_class_orig: tetragonal-pyramidal


species: Ca Cl Cs

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: c e

Wyckoff_letters: f f


species: I Nb Rb

Wyckoff_letters_orig: e e f f f

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: e e

Wyckoff_letters: e e f f f

Wyckoff_letters: a b

Wyckoff_letters: e e


species: K Nb O


species: Cu Dy O

Egap_DOS_type: metal

crystal_class: tetragonal-scalenoidal


species: Cr O Pr

species_pp: Cr_pv O Pr

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i


species: Cr O Zn

species_pp: Cr_pv O Zn

Egap_DOS_type: insulator

Wyckoff_letters_orig: e e e e e f f

Wyckoff_letters_orig: a e e

Wyckoff_site_symmetries_orig: m m m m m 1 1

Wyckoff_site_symmetries_orig: -1 m m

Wyckoff_letters: e e e e e f f

Wyckoff_letters: a e e

Wyckoff_site_symmetries: m m m m m 1 1

Wyckoff_site_symmetries: -1 m m


species: Mn O Tb


species: O Sm Ti


species: K Mg O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c d


species: Co Gd O

species_pp: Co Gd O

Wyckoff_letters_orig: b b


species: Co Nb O

crystal_class_orig: ditrigonal-scalahedral


species: Ni O Zn

species_pp: Ni_pv O Zn

crystal_class: ditetragonal-dipyramidal


species: C Ti Y


species: O Ti W

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Fe O Sr

crystal_class_orig: hexoctahedral


species: O Sr Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: c g

Wyckoff_letters: a f


species: O Sn W

species_pp: O Sn W_pv

crystal_class_orig: monoclinic-prismatic


species: Co O Sn

species_pp: Co O Sn

crystal_class_orig: ditetragonal-dipyramidal


species: O Sr W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mn Ni O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: c i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Ca O W


species: Ni O Ti

crystal_class: hexoctahedral


species: Cr O W


species: Li O Ta


species: Ca Ni O

crystal_class: ditrigonal-scalahedral


species: O Pd Ru


species: Cr O Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sr V


species: Cr Ni O

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Cd O Sn

species_pp: Cd O Sn


species: Br Cu Ni

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: c d

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: c d


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Mg O W


species: O Sn Zn

species_pp: O Sn Zn


species: Mn O Ti


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Ca O Zr

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a b b

Wyckoff_letters: a b b

Wyckoff_letters: a a


species: Nb O Sn

Wyckoff_letters_orig: h p

Wyckoff_letters_orig: b f

Wyckoff_letters: h p

Wyckoff_letters: b f


species: O Sn W

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Ca Mg O


species: Ag Bi I

species_pp: Ag Bi_d I

Wyckoff_letters_orig: a h p

Wyckoff_letters: a h p


species: Nb O Ti


species: O Sc W

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: F Mn Sn

species_pp: F Mn_pv Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Ni O Sr


species: Ca Cr O

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI


species: Mg O Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cd O V

species_pp: Cd O V_sv


species: O Ti V

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a


species: Mg O W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Br Hg Mn

species_pp: Br Hg Mn_pv

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


crystal_class: monoclinic-prismatic


species: Nb O W

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a


species: O Sn Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O Sr


species: Cr Fe O


species: O Sc Sr

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: F Mn Rb


species: Ca O Pb

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co Ni O

species_pp: Co Ni_pv O


species: Se Sn Zn

species_pp: Se Sn Zn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Ca O Sc

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: O Sr Ti


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a a a


species: Co O W

species_pp: Co O W_pv


species: Ca O Zr

aflow_prototype_params_list_orig: a b/a c/a


species: Ni O V


species: Co Fe O

species_pp: Co Fe_pv O


species: Nb O Sn

species_pp: Nb_sv O Sn


species: O Sr Zr


species: Ca Cr O


species: Nb O Zr


species: O Ti Zr


species: O Sc W

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Mn O Ti


species: Ge Pb Te

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Sn W

species_pp: O Sn W_pv


crystal_class_orig: tetragonal-scalenoidal


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca O V

Wyckoff_letters_orig: a a b


species: Mg O Sr


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd O Zr

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Ca O Ti


species: Mn O W


species: Fe O V

crystal_class: tetragonal-dipyramidal


species: Ge Mg Te

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Cr O Zr

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: O Sr V

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Ni O V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cl Fe Hg

species_pp: Cl Fe_pv Hg

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Ca Mg O

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a


species: O Sc Sn

species_pp: O Sc_sv Sn


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Mn O Sn

species_pp: Mn_pv O Sn


crystal_class_orig: ditrigonal-scalahedral


species: O Sc Zr

Wyckoff_letters_orig: a a a


species: Co O Sn

species_pp: Co O Sn

crystal_class_orig: hexoctahedral


species: Cd O Ti

species_pp: Cd O Ti_sv

crystal_class: tetragonal-scalenoidal


species: Ca Co O

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g


species: Cr Fe O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c e


species: Nb O V

crystal_class_orig: monoclinic-prismatic


species: Mg Nb O


species: Mn O Zr

crystal_class: hexoctahedral


species: Cu O Zr

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Mg Sn Te

species_pp: Mg_pv Sn Te

Wyckoff_letters: a a a


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cu O Ti

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: O Sn Ti

species_pp: O Sn Ti_sv

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

crystal_class: orthorhombic-bipyramidal

aflow_prototype_params_list_relax: a b/a c/a x3


species: Cr F Ta

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


Wyckoff_letters: g g


species: Ca Cr O

Wyckoff_letters_orig: f f


species: Ca Mg O


species: O Ti W


species: O Ti Zn

species_pp: O Ti_sv Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Sc Sn

Wyckoff_letters: f f


species: Pb Sn Te

species_pp: Pb_d Sn Te

Wyckoff_letters_orig: h g i

Wyckoff_letters: h g i


species: Ni O Zr

crystal_class: ditrigonal-scalahedral


species: O Sn Zn

species_pp: O Sn Zn


species: Mg O Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O W Zr

sg2:
Imma #74
Imma #74
Imma #74


species: O V Zr


species: Fe O W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe O Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co O Sr

species_pp: Co O Sr_sv


species: Br Cu Ti

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Bi O Ti

Wyckoff_letters_orig: g h i

Wyckoff_letters_orig: i j

Wyckoff_letters: g h i

Wyckoff_letters: i j


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cl Hg Mn

species_pp: Cl Hg Mn_pv

Wyckoff_letters_orig: b a a c

Wyckoff_letters: b a a c


species: Mn Ni O


species: Ni O V


species: Mg O Ti


species: Cd Fe O

species_pp: Cd Fe_pv O

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: O Ti V


species: Cr O Zr


species: Mn O W


species: Mg O Zr


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a b

Wyckoff_letters: a a b b


species: Cd O Ti

crystal_class: dihexagonal-dipyramidal


species: O Zn Zr

species_pp: O Zn Zr_sv

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c


species: O Sc Zr

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a c


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters: b e


species: Ca Cr O

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Mn O Sn

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: Mn Nb O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ca O Sr

Wyckoff_letters_orig: a i

Wyckoff_letters: a e


species: Mn O Ti

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a a


species: Ca Mn O

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cr O V


species: Cd Mg O

species_pp: Cd Mg_pv O


species: O Sr W

Wyckoff_letters_orig: a a a a a

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: b i i

Wyckoff_letters: c i i

Wyckoff_site_symmetries: 2/m m m


species: F Mg Na

Wyckoff_letters_orig: a a c

Wyckoff_letters: e h


species: Fe O Zn

species_pp: Fe_pv O Zn


species: O Sr Zr

Wyckoff_letters_orig: a a b

Wyckoff_letters: e a


species: Ca O W

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Co Cr O

species_pp: Co Cr_pv O


species: Pb S Sn

species_pp: Pb_d S Sn


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mg Mn O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

Wyckoff_letters: b c

Wyckoff_letters: a c

Wyckoff_letters: d h


species: Ca O V


species: Fe O Zr

crystal_class_orig: dihexagonal-pyramidal


species: Nb O V

Wyckoff_letters_orig: f f


species: Fe O V


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: c h p

Wyckoff_letters_orig: a f

Wyckoff_letters: c h p

Wyckoff_letters: a f


species: Mn Nb O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O V Yb

species_pp: O V_sv Yb


species: O Ti Zr


species: Mg Nb O


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Cd O Sn

species_pp: Cd O Sn


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: a e


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: a b


species: Mg O Zn

species_pp: Mg_pv O Zn


species: O Os Pr

species_pp: O Os_pv Pr


species: Bi O Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb O Zr

Wyckoff_letters_orig: e f h k k

Wyckoff_letters_orig: a b f f k

Wyckoff_letters: e f h k k

Wyckoff_letters: a b f f k


species: Co O Sc

species_pp: Co O Sc_sv


species: Fe O Ti

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: O Ti V

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Ca Cr O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Gd O Ti

species_pp: Gd O Ti_sv


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: i i

Wyckoff_letters: g k


species: Co O W

species_pp: Co O W_pv


species: O Sr V

Wyckoff_letters_orig: b g


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni O V

Wyckoff_letters: i i


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sr Zn

species_pp: O Sr_sv Zn


species: O Sc V


species: Pb S Sn

species_pp: Pb_d S Sn

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: Cd Nb O

species_pp: Cd Nb_sv O


Wyckoff_letters: a b


species: Ni O Sn

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a

Wyckoff_letters: a a


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Sc Sr

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Cd Cr O

species_pp: Cd Cr_pv O

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: Cr O Sr

Wyckoff_letters_orig: a b b

Wyckoff_letters: a h


species: Fe Ni O

Wyckoff_letters_orig: a b


species: Mg O W


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Ni O Zr


species: Cr O W


species: Ca Ni O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m m m


species: Co Cr O

species_pp: Co Cr_pv O


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Nb O Zr

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Bi O Ti

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Fe O


species: Ca O V


species: Pb Se Sn

species_pp: Pb_d Se Sn

Wyckoff_letters_orig: a g


species: Cd O W

species_pp: Cd O W_pv


species: Fe O Sn

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Co Mg O

species_pp: Co Mg_pv O


species: Mn O Zr


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mg O Zr

Wyckoff_letters_orig: c e f

Wyckoff_letters: c e f


species: Cd O Sn

species_pp: Cd O Sn


species: Fe Mn O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: O Sn V

species_pp: O Sn V_sv


species: Cu O Zr

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: Fe O Sc

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: O Sn Sr

species_pp: O Sn Sr_sv


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr O W

Wyckoff_letters_orig: c e e g

Wyckoff_letters: c e e g


species: O Sc W


species: Bi O Ti


species: Cu O Sn

species_pp: Cu_pv O Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i

Wyckoff_letters: e b


species: Cd Mn O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cr Mg O


species: Mg O V


species: Fe O Ti

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Nb O Sr

Wyckoff_letters_orig: c g

Wyckoff_letters: c e


species: Co Fe O

species_pp: Co Fe_pv O


species: Cd F Ga

species_pp: Cd F Ga_h

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cr O Zn

species_pp: Cr_pv O Zn

sg:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Al Fe Sc

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cr O Sc


species: Ca O W

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe O Sc

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Pb S Sn

species_pp: Pb_d S Sn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co O Zn

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Mg O Sc


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters: a a a a a

Wyckoff_site_symmetries: m m m m m


species: Cr Nb O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd O Sn

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a b b

Wyckoff_letters: a a b b


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Nb Ni O


species: O Sr Zn

species_pp: O Sr_sv Zn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mg Nb O


species: Hf O Pr

species_pp: Hf_pv O Pr

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: a e


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Nb O Ti


Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c c c c c


species: Nb O Pr

species_pp: Nb_sv O Pr

Wyckoff_letters_orig: a a a

crystal_class: ditrigonal-pyramidal


species: Cl Co Tl

species_pp: Cl Co Tl_d

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: a d

Wyckoff_letters: e g

Wyckoff_letters: a d


species: Ca Co O

species_pp: Ca_sv Co O


species: Ca O Zn

species_pp: Ca_sv O Zn

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Nb O W

aflow_prototype_params_list_relax: a b/a c/a


species: Mn Nb O


species: Cd Mn O

species_pp: Cd Mn_pv O


species: Ni O Ti

sg2:
Cmmm #65
Fmmm #69
I4/mmm #139

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g h n

Wyckoff_letters_orig: a c

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: e c


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: b d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b d


species: Br Li Mn

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c l

Wyckoff_letters: a h


species: Cr O V


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: h p

Wyckoff_letters: h p


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Fe O V

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Mn Ni O


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: c e f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e

Wyckoff_letters: c e f


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: i i


species: Cu Mn O

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a


species: Cu O Zn

species_pp: Cu_pv O Zn

Wyckoff_letters_orig: e f

Wyckoff_letters: b h


species: Li Nb O

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: ditrigonal-scalahedral

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Li O Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cs Nb O


species: I K Nb

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: K O Ta

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


Wyckoff_letters: c i i

Wyckoff_letters: a i i


species: Mg Na O


species: Nb O Rb

Wyckoff_letters_orig: d e

Wyckoff_letters_orig: a k

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: d e

Wyckoff_letters: a k


species: Au Sm Sn

species_pp: Au Sm_3 Sn


species: Ca O P

species_pp: Ca_sv O P

Wyckoff_letters_orig: e e e e e e e e e e e

Wyckoff_letters: e e e e e e e e e e e


species: Ba Mn Sb

crystal_class_orig: ditetragonal-dipyramidal


species: Br Cs Li

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: c i


species: C Sn Ti

species_pp: C Sn Ti_sv


species: Mg Pd Sr


species: Cr Hg O

species_pp: Cr_pv Hg O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cl H O

species_pp: Cl H O

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c d

Wyckoff_letters: c c c d


species: Ir Na O

species_pp: Ir Na_sv O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b b

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c

Wyckoff_letters: c e


species: Al B N

species_pp: Al B_h N

crystal_class: tetrahedral


species: Al O P

species_pp: Al O P

Wyckoff_letters_orig: i i i

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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i

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


species: Al O Y

species_pp: Al O Y_sv

Wyckoff_letters_orig: e e e e e e e e e

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e e e e e e

Wyckoff_letters: e e e e


species: P Ru Se

species_pp: P Ru_pv Se


species: Fe Lu O

species_pp: Fe_pv Lu O

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: a b c c


species: O Si Sm

species_pp: O Si Sm_3

crystal_class_orig: tetragonal-pyramidal

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

Wyckoff_letters_orig: a a a a

crystal_class: tetragonal-pyramidal

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

Wyckoff_letters: a a a a


species: Mg O Ta

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ag Te Tl

species_pp: Ag Te Tl_d

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: O Pb Ta


species: K O Pb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Nb O Pb

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: a i i

Wyckoff_letters: i i i i i

Wyckoff_letters: a i i


species: Ca O Ta

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i i


species: Cl Cs Pb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cs I Mg

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a b i i i i

Wyckoff_letters_orig: e i

Wyckoff_letters: i i

Wyckoff_letters: e j i i


species: Li Na O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cu O Sm

crystal_class: dihexagonal-dipyramidal


species: Gd O V

species_pp: Gd O V_sv


species: O Tb Ti

Wyckoff_letters_orig: g g s

Wyckoff_letters_orig: e f h

Wyckoff_letters_orig: c g

Wyckoff_site_symmetries_orig: mmm. mmm. 4mm

Wyckoff_letters: g g s

Wyckoff_letters: e f h

Wyckoff_letters: c g

Wyckoff_site_symmetries: mmm. mmm. 4mm


species: O Tb Zn

species_pp: O Tb_3 Zn


species: O Pr Sm

species_pp: O Pr Sm_3

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sm V

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: g h


species: Eu O Zn

species_pp: Eu O Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: a f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: d g

Wyckoff_letters: a f


species: Eu O V

species_pp: Eu O V_sv


species: Cu O Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters_orig: f h h

Wyckoff_letters_orig: b h

Wyckoff_letters: c d e

Wyckoff_letters: f h h

Wyckoff_letters: b h


species: I K Mg

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Li O Rb

crystal_class_orig: tetragonal-scalenoidal


species: Cu O Tb


species: Fe O Pr

species_pp: Fe_pv O Pr


species: Dy O V

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: a c d d d

Wyckoff_letters: a c


species: I Pb Rb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr Eu O

species_pp: Cr_pv Eu O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Er O V

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c


species: Cr Ni O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b b


species: Cs I Pb

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: b e i

Wyckoff_letters: a e

Wyckoff_letters: b e g


species: O Sr Ti

Wyckoff_letters_orig: b c

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: b c


species: Ce O Ti

species_pp: Ce O Ti_sv


species: Eu O Ti

species_pp: Eu O Ti_sv


species: Mn O Sm

Wyckoff_letters_orig: h n

Wyckoff_letters_orig: a b c

Wyckoff_letters: h n

Wyckoff_letters: a b c


species: Ca O Ti

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal


species: O W Zr

Wyckoff_letters_orig: d g

crystal_class: ditetragonal-dipyramidal


species: Cl Li Ta

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: a f

Wyckoff_letters: e l


species: Fe Mn O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

crystal_class: ditrigonal-pyramidal


species: O Sr W


species: Cr Nb O


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: c k

Wyckoff_letters: k l

Wyckoff_letters: c k


species: Er Ge O

crystal_class_orig: hexoctahedral

Wyckoff_letters: a f


species: O Ti W

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a d


species: Co O Ti

species_pp: Co O Ti_sv

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c e


species: Co O Sn

species_pp: Co O Sn


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: i i

crystal_class: ditrigonal-scalahedral


species: Fe Mg O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr O Zr

Wyckoff_letters_orig: c h p

Wyckoff_letters: c h p


species: Cu O Ti

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a a b b

Wyckoff_site_symmetries_orig: m m m m 1 1

crystal_class: monoclinic-domatic

Wyckoff_letters: a b

Wyckoff_letters: a a b b c c

Wyckoff_letters: a a b b

Wyckoff_site_symmetries: m m m m


species: Cr Fe O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sr Zr

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h

Wyckoff_letters: i i j

Wyckoff_letters: a h


species: Mg O W


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class: hexoctahedral


species: Ca Mn O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a c


species: Cr Mg O

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: c h

Wyckoff_letters: b d

Wyckoff_letters: c h


Wyckoff_letters_orig: a e

Wyckoff_letters_orig: d g

Wyckoff_letters: a e

Wyckoff_letters: d g


species: Bi O Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb O V


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


crystal_class_orig: tetragonal-disphenoidal


species: Ca O Zr

crystal_class: monoclinic-prismatic


species: Mn O Zr

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Cr O Sr

crystal_class_orig: ditrigonal-scalahedral


species: Nb O Zn

crystal_class: trigonal-pyramidal


species: O Sc Zn

species_pp: O Sc_sv Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Cd Mn O

species_pp: Cd Mn_pv O

crystal_class_orig: ditetragonal-dipyramidal


species: Nb O Sc


species: Ni O Sr

Wyckoff_letters_orig: a c


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: c c c d d

Wyckoff_letters: c c c d d


species: Mn O Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Nb Ni O


species: Ni O Sn

species_pp: Ni_pv O Sn

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Co O Sn


species: Ni O Sc


species: Cl Mn Rb

Wyckoff_letters_orig: c l

Wyckoff_letters: c l


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Co O Sc

species_pp: Co O Sc_sv

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Co O Ti

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b b


species: Ir O Yb

species_pp: Ir O Yb

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co O Zn

species_pp: Co O Zn

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Bi O Pb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i


species: O Ti W


species: Cd O W


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: b d


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Nb O Pb

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a b

Wyckoff_letters: a a b b

Wyckoff_letters: a a b b c c

Wyckoff_letters: a b


species: O Sr Ti

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Cr Fe O

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b c


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Cr O Sr

sg2:
Cm #8
Cm #8
Cm #8


species_pp: Co O Ti_sv

Wyckoff_letters_orig: a e


species: Cr O W


species: Br Na Zr

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i


species: Ni O V

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Co F Hg

species_pp: Co F Hg

Wyckoff_letters_orig: e e e e

Wyckoff_letters: c d c


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: c g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c i


species: Mg Se Zn

species_pp: Mg_pv Se Zn

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe O Ti

Wyckoff_letters_orig: a i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_site_symmetries: 2/m m m m


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Cd Fe O

species_pp: Cd Fe_pv O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O V W

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Fe O Sc


species: Mn O Sc

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Dy O Ru

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a


species: Nb Ni O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Eu Mo O

species_pp: Eu Mo_pv O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe Mn O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sc Zr


species: Cr Mn O


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a

Wyckoff_letters: a a


species: O Sc Zn

species_pp: O Sc_sv Zn


species: O Ti W


species: Ca O Sn

species_pp: Ca_sv O Sn


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b


species: Cr Nb O

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: monoclinic-sphenoidal


species: F Sc Tl

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: a d


species: O W Zn

species_pp: O W_pv Zn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a d

crystal_class: orthorhombic-bipyramidal

Wyckoff_site_symmetries: mmm mmm


species: Cr O Sn

species_pp: Cr_pv O Sn

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: O V Zr

Wyckoff_letters_orig: e e


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a c

crystal_class: ditrigonal-scalahedral


species: O Sr V


species: Cd Cr O

crystal_class_orig: ditetragonal-dipyramidal


species: Cr Ni O

crystal_class: hexoctahedral


species: Co Fe O

species_pp: Co Fe_pv O


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Cd Ni O

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Cd O Ti


species_pp: Cd Cr_pv O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Co O W

species_pp: Co O W_pv


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Mn O Zn

species_pp: Mn_pv O Zn

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f


sg:
Cmmm #65
Cmmm #65
P6/mmm #191

sg2:
Cmmm #65
Cmmm #65
P6/mmm #191

Wyckoff_letters: a b


species: Mg O Sc

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: b i i

Wyckoff_letters: c i i


species: Nb O W


species: Fe Mg O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c


species: Ca O W

crystal_class_orig: tetragonal-scalenoidal


species: Cr O Zr

crystal_class_orig: tetragonal-dipyramidal


species: O Sn W

species_pp: O Sn W_pv


species: Fe O Sc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Sn Zr

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a a a


species: O Ti Zr

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca Nb O


species: Cl Hg Ti

species_pp: Cl Hg Ti_sv

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e e

Wyckoff_letters: a e


species: Nb O Ti

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: Co Cr O

species_pp: Co Cr_pv O

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe O Ti


species: Cr Ni O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters: i i


species: O Sr V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O P Tl

species_pp: O P Tl_d

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

Wyckoff_letters_orig: i i i i

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

Wyckoff_letters: i i i i


species: F Sr Ti

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


Wyckoff_letters: a g


species: O Sc Sr

Wyckoff_letters: c f


species: Mn O Ti

Wyckoff_letters: f f


species: Cr Mg O

Wyckoff_letters: a a a


species: Cd Nb O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Fe Ni O


species: Ni O W


species: Fe O V

crystal_class_orig: hexagonal-pyramidal


species: Mn O Sc

crystal_class_orig: hexoctahedral


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Ti Zn

species_pp: O Ti_sv Zn

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: c e f

Wyckoff_letters: c e f


Wyckoff_letters_orig: c g


species: Co O W


species: Mn O Zr


species: Ca Fe O

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: Cd O V

species_pp: Cd O V_sv


species: Ca O V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr O Sn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca O Zr

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: O Sr W


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a a

Wyckoff_site_symmetries: .m .m .m


species: Mn O V

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Co Nb O

species_pp: Co Nb_sv O


species: Cd Nb O

Wyckoff_letters_orig: a e


species: O Ti W


species: Co O Ti

species_pp: Co O Ti_sv


species: Nb O Sr

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a

Wyckoff_letters: d c c d c

Wyckoff_letters: c c


species: Nb O Sc


species: O Sc V


species: Cr Fe O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Co Mg O


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mn Nb O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr Mg O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cr Mn O

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a e

Wyckoff_letters: e e e


species: Ca O Ti

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cr O W

Wyckoff_letters_orig: g i i j

Wyckoff_letters_orig: i i

Wyckoff_letters: g i i j

Wyckoff_letters: i i


species: Ca Co O

species_pp: Ca_sv Co O


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ca Ni O

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a a a


species: Ca Mg O


species: Mn O Sc


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters: e g


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Ca O W

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Cr O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Nb O Sn

species_pp: Nb_sv O Sn


species: O Sr W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O Sc

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Nb O Ti

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: a e

Wyckoff_letters: d g


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca Mn O


species: O Sn Sr

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Fe O Sc

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a


species: S Sn Zn

species_pp: S Sn Zn


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Mg O Sn

species_pp: Mg_pv O Sn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters: a e


species: Cr O Sn

species_pp: Cr_pv O Sn


species: Ca Co O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe O V


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: a a a

Wyckoff_letters: c f


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr O W

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cd Mn O

species_pp: Cd Mn_pv O


species: Co O Sc

species_pp: Co O Sc_sv


species: Ca O Sc


species: Mn O V


species: Ca Nb O


species: Fe Nb O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sc W


species: Co Ni O

species_pp: Co Ni_pv O


species: O Ti W

crystal_class_orig: orthorhombic-pyramidal


species: Fe O Ti


species: Cd Co O

species_pp: Cd Co O


species: Cr F Hg

species_pp: Cr_pv F Hg

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: b g

Wyckoff_letters: a c

Wyckoff_letters: e h i

Wyckoff_letters: b g


species: Mg Te Zn

species_pp: Mg_pv Te Zn


Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e e


species: Ag Bi I

species_pp: Ag Bi_d I

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Nb O Sn

species_pp: Nb_sv O Sn

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Fe Mn O


species: Ni O W

crystal_class_orig: ditrigonal-pyramidal


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Mg Ni O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Ni O Zn

species_pp: Ni_pv O Zn

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d


species: O Sn Ti

species_pp: O Sn Ti_sv

crystal_class: ditetragonal-dipyramidal


species: Cr O V

Wyckoff_letters_orig: e f h k k

Wyckoff_letters_orig: a b f f k

Wyckoff_letters: e f h k k

Wyckoff_letters: a b f f k


species: Ca O W


Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: e f f f f

Wyckoff_letters: b f


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca O V


species: Ge Pb Se

Wyckoff_letters_orig: c d


species: F K Ni


species: Cd O Zn

species_pp: Cd O Zn


species: O Sc Sr

crystal_class_orig: ditrigonal-scalahedral


species: Mg O Sc

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cl Co K

species_pp: Cl Co K_sv

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k


species: Mn O Sr


species: Mg Mn O


species: Cu F Na

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: e f f f

Wyckoff_letters: a b c

Wyckoff_letters: e f f f


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j

Wyckoff_letters: i i


species: Ca Fe O

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: Cd O W

species_pp: Cd O W_pv


species: Cr Mg O

Wyckoff_letters_orig: c h p

Wyckoff_letters: a f

Wyckoff_letters: c h p


species: Mg S Zn

species_pp: Mg_pv S Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Co Ni O

species_pp: Co Ni_pv O


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr Ni O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mn Nb O

Wyckoff_letters_orig: b e e

Wyckoff_letters: b e e


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: a f


species: Ca O Ti


species: O Sr Zr

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Cr O Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd Mn O

species_pp: Cd Mn_pv O


species: O Sn W

species_pp: O Sn W_pv


species: Fe O Sc


species: Fe O V


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Cr Fe O

Wyckoff_letters: b f


species: Fe O Ti

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: b c i i i


species: Fe Ni O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ni O Ti


species: O Sr Ti

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Mg Ni O


Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Ni O Sr


species: Cd O Sr

species_pp: Cd O Sr_sv

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: i h

Wyckoff_letters: h i


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd O Sn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i


Wyckoff_letters_orig: e g

Wyckoff_letters_orig: g g g h

Wyckoff_letters: e g

Wyckoff_letters: g g g h


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: a g


species: Mn O Ti


species: O Sc Sr


species: Mg Mn O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e f f

Wyckoff_letters: a e

Wyckoff_letters: e e f f


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Mg O Sr

crystal_class: trigonal-trapezoidal

aflow_prototype_params_list_relax: a c/a y3


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: c h p

Wyckoff_letters_orig: a f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c h p

Wyckoff_letters: a f


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: d i

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: d i


species: Ag Bi I

species_pp: Ag Bi_d I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: e e f f f

Wyckoff_letters: e e

Wyckoff_letters: a b

Wyckoff_letters: e e f f f


species: Fe O W

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


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ca O Zn

species_pp: Ca_sv O Zn


species: O Ti Zr

Wyckoff_letters: i i i


species: Mn O Sr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr O Zr

Wyckoff_letters_orig: f f


species: Mn O W

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a


species: Ca Co O

species_pp: Ca_sv Co O

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co O Sn

species_pp: Co O Sn

crystal_class: orthorhombic-pyramidal


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: a a a a

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a

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


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca O Ti


species: Cr O Sc


species: Co O V

species_pp: Co O V_sv

crystal_class: hexoctahedral


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Pb Se Zn

species_pp: Pb_d Se Zn

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Co Mn O

species_pp: Co Mn_pv O

crystal_class: monoclinic-prismatic


species: Nb O Zr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

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

Wyckoff_letters_orig: a b c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c

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

Wyckoff_letters: a b c c


species: Ni O Ti


species: Br Li Sb

species_pp: Br Li_sv Sb

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: a f

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i

Wyckoff_letters: a f


species: Cr Mn O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: i i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: b e

Wyckoff_letters: i i i i i i i


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

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: f f


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class: ditrigonal-pyramidal


species: Ca Cr O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe O Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Co O Sr

species_pp: Co O Sr_sv

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a

crystal_class: dihexagonal-dipyramidal


species: Mg Nb O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr Mg O

Wyckoff_letters_orig: d g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: d g


species: Mn O Sr


species: Mg Mn O

crystal_class: ditetragonal-dipyramidal


species: Cd O W

species_pp: Cd O W_pv


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Br Cs Nb

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Pb Sn Te

species_pp: Pb_d Sn Te

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c c c


species: Cd Nb O

species_pp: Cd Nb_sv O

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Ni O


species: Cs F Fe


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: b e e

Wyckoff_letters: b e e


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Br Ca Hg

species_pp: Br Ca_sv Hg

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Fe Ni O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: b i


species: Cl Co Tl

species_pp: Cl Co Tl_d


species: Fe O Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i i


species: Cl Rb Zr


species: Ca Cr O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe O Zr

crystal_class_orig: ditrigonal-pyramidal


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: m n

Wyckoff_letters: a e

Wyckoff_letters: m n


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Ca Co O

species_pp: Ca_sv Co O


species: Ca Mn O


species: Al O Si

species_pp: Al O Si

Wyckoff_letters_orig: a a a a a a

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

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a


species: Cd Nb O

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: c a m

Wyckoff_site_symmetries_orig: mmm mmm ..2

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c a m

Wyckoff_site_symmetries: mmm mmm ..2


species: Bi O Ti

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: i i i j

Wyckoff_site_symmetries_orig: m m m 1

Wyckoff_letters: a h

Wyckoff_letters: i i i j

Wyckoff_site_symmetries: m m m 1


species: O Sr Ti

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Mn O Zr

Wyckoff_letters_orig: i i i i

Wyckoff_letters: f f


species: Ca O Pb


species: Ca O Ta

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: c e g

Wyckoff_letters: c e g


species: I K Ta

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c c c c

Wyckoff_letters: a b


species: I Li 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


species: I Mg Nb


species: Ba Os P


species: Au O Sr

species_pp: Au O Sr_sv

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Cu Mn Pt

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC


species: Al C Ta

species_pp: Al C Ta_pv

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f

Wyckoff_letters: a f

Wyckoff_letters: e f


species: Al Ca Fe

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cl Mg Rb

Wyckoff_letters_orig: b h


species: Na O Pb

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Na Nb O

sg:
Pc #7
Pm #6
Pm #6

sg2:
Pm #6
Cm #8
Cm #8

Wyckoff_letters_orig: a b c c

crystal_class: orthorhombic-pyramidal


species: Mg O Pb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: i i


species: Cs K O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


crystal_class: hexoctahedral


species: Na O Ta


species: Mg Na O

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Cl Pb Ta

sg:
Ama2 #40
Cmcm #63
Cmcm #63

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b c c

Wyckoff_letters: c f f


species: Mn O Sn

species_pp: Mn_pv O Sn

aflow_prototype_params_list_relax: a b/a c/a y3


species: Cr Ni O

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Nb O Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: b c


species: Eu Mn O

species_pp: Eu Mn_pv O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: a d g

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: b d

Wyckoff_letters: a d g


species: Gd O Ti

species_pp: Gd O Ti_sv

Wyckoff_letters_orig: a e i

Wyckoff_letters: a e i


species: Cr O Tb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c c d

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c c d

Wyckoff_letters: a c


species: F Li Nb


species: Ce O Zn

species_pp: Ce O Zn

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: a c d d d

crystal_class: rhombohedral


species: Cu Er O


species: Er Ni O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca Nb O

Wyckoff_letters_orig: b i

crystal_class: monoclinic-prismatic

Wyckoff_letters: b i


Wyckoff_letters_orig: b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe Nb O

Egap_DOS_type: half-metal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Mg O Rb

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Ce O Ti

species_pp: Ce O Ti_sv

Wyckoff_letters_orig: h n

Wyckoff_letters_orig: a b c

Wyckoff_letters: h n

Wyckoff_letters: a b c


species: Gd Ni O

species_pp: Gd Ni_pv O


species: Ho O V

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: c d

Wyckoff_letters: e e e


species: Pd Sb Se

species_pp: Pd_pv Sb Se

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating


species: Nb O Zn

species_pp: Nb_sv O Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Co O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn O Sr


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: d i


species: Cd O Sn

species_pp: Cd O Sn

crystal_class_orig: diploidal

Wyckoff_letters_orig: e f h

Wyckoff_letters_orig: b e

crystal_class: diploidal

Wyckoff_letters: e f h

Wyckoff_letters: b e


species: Bi Cs I

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: f g j

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: f g j


species: Co O Ti

species_pp: Co O Ti_sv

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

Wyckoff_letters: b b


species: Ag Bi I

species_pp: Ag Bi_d I

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c g


species: Cl Ga Mn

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: Mg Nb O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters: c f


species: Pb S Zn

species_pp: Pb_d S Zn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f


species: Ca Mn O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i

Wyckoff_letters: a i

Wyckoff_letters: i i


species: Mg O Sr

Wyckoff_letters_orig: a b

Wyckoff_letters: c e


species: Ca Ni O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Mn O

crystal_class: ditetragonal-dipyramidal


species: Ni O V

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a

crystal_class: dihexagonal-dipyramidal


species: Br Cr Ni

crystal_class: orthorhombic-bipyramidal


species: Cr O Ti

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: Cr O V

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

sg2:
Pban #50
Pban #50
Pban #50


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Fe Ni O


species: Nb O Zn


species: Mg O W

Wyckoff_letters_orig: a a

Wyckoff_letters: b i


species: Cr O Sr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Sc Sr


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Cr O Zr

Wyckoff_letters_orig: a i i i

Wyckoff_letters: a i i i


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i i


species: Ca Cr O


species: Cd O Sr

species_pp: Cd O Sr_sv

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Fe O

crystal_class_orig: hexoctahedral


species: Cd Mg O

species_pp: Cd Mg_pv O


species: O Sr V

Wyckoff_letters_orig: c d


species: Mn O Zr


species: Fe Mg O

crystal_class_orig: dihexagonal-dipyramidal


Wyckoff_letters_orig: c e


species: Cr O Ti


species: Fe O Zr


species: Mg O Zr


species: Mg Mn O

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Cr Mn O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a c f h

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: a d

Wyckoff_letters: e e e


species: Ca Ni O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O Sc Ti

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Ca Fe O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: c a m

Wyckoff_letters: c a m


species: Nb O W

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


Wyckoff_letters_orig: a b c e o

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: m m n n o o

Wyckoff_letters: b a e c o

Wyckoff_letters: n m

Wyckoff_letters: n n m m o o

Wyckoff_site_symmetries: m m m m 1 1


species: Cr O Zr

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: b d

Wyckoff_letters: i i

Wyckoff_letters: b d


species: Co Ni O

species_pp: Co Ni_pv O

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Ga Ni Y

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Nb O Sc

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: g h

Wyckoff_letters: a f

Wyckoff_letters: g h


species: Bi Ir O

species_pp: Bi_d Ir O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Fe Nb O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


Wyckoff_letters_orig: a c


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: ditrigonal-pyramidal


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Cr Ni O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b d

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: b c


species: F Li Zn

species_pp: F Li_sv Zn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: c d

Wyckoff_letters: a b


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Nb Ni O

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Br Rb Tl

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k

Wyckoff_letters: b f


species: Ca Cd O

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: g g g

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: h h h


species: Cu O Zr

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e f f

Wyckoff_letters_orig: b e

Wyckoff_letters: a e

Wyckoff_letters: e e f f

Wyckoff_letters: b e


species: Ca O Sn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cr Fe O


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters: c a


species: O Sc Sr

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ca O Sr

crystal_class_orig: ditetragonal-dipyramidal


species: O Sc Ti


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ni O Zn

species_pp: Ni_pv O Zn


crystal_class_orig: tetragonal-scalenoidal


species: Ni O Zr

Wyckoff_letters_orig: a a a

crystal_class: ditrigonal-pyramidal


species: Mn Nb O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Ti V


species: Mn O Zn


species: Fe O Zn

species_pp: Fe_pv O Zn


species: Ca Co O


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Mn O V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg O Sn

species_pp: Mg_pv O Sn

crystal_class: ditrigonal-scalahedral


species: Fe Mn O


species: Mn Ni O

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: Fe Nb O

crystal_class: hexoctahedral


species: O V W

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: O W Zr


species: Mg O Sr

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: d b


species: O Sr Zn

species_pp: O Sr_sv Zn

Wyckoff_letters: a c


species: O Ti Zr

Wyckoff_letters_orig: c a


species: Mg Pb Se

Wyckoff_letters_orig: a e

Wyckoff_letters: b h

aflow_prototype_params_list_relax: a b/a c/a x4


species: Bi O Ti


species: Ca Cr O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: a c

crystal_class: monoclinic-prismatic

Wyckoff_letters: a d


species: Ca O V


species: Cr Mg O

Wyckoff_letters_orig: c g h

Wyckoff_letters_orig: i j

Wyckoff_letters: c g h

Wyckoff_letters: i j


species: Mn O Sn

species_pp: Mn_pv O Sn

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: Fe O Zn

Wyckoff_letters_orig: d i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: d i


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Fe O Ti

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cr O Sr

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca Mn O

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: O Sc Ti


species: Nb O Sr


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Br Na Sr

crystal_class: ditetragonal-dipyramidal


species: Mn O W


species: Co O V

species_pp: Co O V_sv

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Sc Sr

sg2:
Immm #71
Immm #71
Immm #71

crystal_class_orig: orthorhombic-bipyramidal


species: Cr O Sc


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b

Wyckoff_site_symmetries: 3m .m .m


species: Ca O Sc

crystal_class_orig: monoclinic-prismatic


species: Ni O Ti


species: Mg Pb S

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn O Zr

Wyckoff_letters: c c


species: Mg O Sr


species: Cr Mn O


species: Mg O Ti


species: Ni O V


species: Ca O Sr


species: Cr O V

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Mn Nb O


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: f f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: f f


species: Cr O P

species_pp: Cr_pv O P

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f f f f f f f f f f

Wyckoff_letters: f f f

Wyckoff_letters: e f f f f f f f f f f


species: Cr O Zn

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Co Mn O

species_pp: Co Mn_pv O

crystal_class: dihexagonal-dipyramidal


species: Mn O Sr


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: O V Zn

species_pp: O V_sv Zn


species: Mg Ni O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m


species: Co O Sr

species_pp: Co O Sr_sv


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co Cr O

species_pp: Co Cr_pv O


species: Mg O V

Wyckoff_letters: a c


species: Fe O Sr


species: O Ti V


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: f h

Wyckoff_letters: a g

Wyckoff_letters: f h


Wyckoff_letters_orig: g h i

Wyckoff_letters_orig: i j

Wyckoff_letters: g h i

Wyckoff_letters: i j


species: Mg O Sc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Fe O Ti


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: a b


species: Ni O V

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Co Fe O

species_pp: Co Fe_pv O

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: a f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: d g

Wyckoff_letters: a f


species: Co Ni O

species_pp: Co Ni_pv O


species: Cd O Ti

species_pp: Cd O Ti_sv


Wyckoff_letters_orig: a a a

Wyckoff_letters: c f


Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Ca Ni O

sg:
Pbca #61
Pbca #61
Cmce #64

sg2:
Pbca #61
Pbca #61
Cmce #64


species: Mn O Ti

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a


species: Ca Nb O


species: Ni O W

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Co O

species_pp: Cd Co O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: a d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: b c

Wyckoff_letters: a d


species: O Zn Zr

species_pp: O Zn Zr_sv


Wyckoff_letters_orig: b e e

Wyckoff_letters: b e e


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: a a

aflow_prototype_params_list_relax: a c/a x2


species: Hg Mn O

species_pp: Hg Mn_pv O


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: a e e

Wyckoff_letters: a g


species: O Sr Zn

species_pp: O Sr_sv Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Cr O W

Wyckoff_letters_orig: g i i j

Wyckoff_letters_orig: i i

Wyckoff_letters: g i i j

Wyckoff_letters: i i


species: Cr Ni O

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Fe O V

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: c e


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: a g


species: Cd O Sc

species_pp: Cd O Sc_sv

crystal_class_orig: ditrigonal-scalahedral


species: Cr Nb O

crystal_class_orig: orthorhombic-pyramidal


Wyckoff_letters_orig: b g g

Wyckoff_letters: b g g


species: O Ti Zn

species_pp: O Ti_sv Zn

crystal_class_orig: triclinic-pedial

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

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

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

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Ca Fe O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Ni O

crystal_class_orig: ditetragonal-dipyramidal


species: Mn O Sr

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mg O Zn

species_pp: Mg_pv O Zn

Wyckoff_letters: c e


species: Ca O W


species: O Sc V


species: Ni O Sc


species: Pb S Zn

species_pp: Pb_d S Zn

sg:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Ni O Sn

species_pp: Ni_pv O Sn

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: O Sn W

species_pp: O Sn W_pv


species: Fe O Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Co O V

species_pp: Co O V_sv

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a i


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class_orig: tetragonal-scalenoidal


species: Mn Nb O

sg:
Immm #71
Immm #71
Immm #71


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Br Mn Rb

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k

Wyckoff_letters: b f


species: O Zn Zr

Wyckoff_letters_orig: c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c


species: Ca Cr O

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c f


species: Cr O Zr

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i i i


species: Cu F Fe

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e l

Wyckoff_letters: a f

Wyckoff_letters: e l


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Co O Zr

species_pp: Co O Zr_sv


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: c e

crystal_class: hexoctahedral


species: Pb Se Sn

species_pp: Pb_d Se Sn


species: Mg Nb O

Wyckoff_letters_orig: e f


species: Ni O V

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: O Sn W


species: Cr Mn O


species: Mg Se Zn

species_pp: Mg_pv Se Zn


species: Co O V

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Mn O Ti

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Mn O V


species: Mg O W


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


Wyckoff_letters: a h


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mg O Sc


species: O Sc Sn

species_pp: O Sc_sv Sn

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Mn O


species: Ca O Sr


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: S Sn Zn

species_pp: S Sn Zn

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: a c

Wyckoff_letters: d h

Wyckoff_letters: a c


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Fe O Zn

species_pp: Fe_pv O Zn


species: Fe Mn O

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: a b


species: Ca Cd O


species: Cr O V

Wyckoff_letters_orig: e e e f f

Wyckoff_letters: a b

Wyckoff_letters: e e e f f


species: Co Nb O

species_pp: Co Nb_sv O


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: Fe Mg O


species: I Li Ta

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k

Wyckoff_letters: b f


species: O Sr Zr


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: d g

Wyckoff_letters: a e

Wyckoff_letters: d g


species: Nb O Sc


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: a c e f g h

Wyckoff_letters: a f


species: Cr Mn O

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Fe Ni O


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Co Mn O

species_pp: Co Mn_pv O


species: Cd O Ti


species: Fe O Ti


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cl Cu Nb

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: a f

Wyckoff_letters: e l


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Sr Ti


species: Co O Ti

species_pp: Co O Ti_sv


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cr O Sn

species_pp: Cr_pv O Sn


Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species_pp: Cd O Ti_sv

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a b


species: Co Nb O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i i i i i i i


species: Mg S Zn

species_pp: Mg_pv S Zn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Ca Mn O


species: Cr O Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O V Zr

Wyckoff_letters_orig: a i i i

Wyckoff_letters: a i i i


species: Ni O W

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: Nb O Zn

species_pp: Nb_sv O Zn


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: a b

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a


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: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ni O V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Zn Zr

species_pp: O Zn Zr_sv

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Mn O Sc

crystal_class_orig: orthorhombic-bipyramidal


species: Nb O Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Ni O


species: Cr Fe O

crystal_class_orig: monoclinic-prismatic


species: Ni O Sn

species_pp: Ni_pv O Sn

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: d d

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a c

Wyckoff_letters: d d


species: Mg Se Zn

species_pp: Mg_pv Se Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Mn O

crystal_class: ditetragonal-dipyramidal


species: Fe Mn 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: a a a a

Wyckoff_letters: b b b


species: O V W

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Co Nb O

species_pp: Co Nb_sv O


species: O Sn V

species_pp: O Sn V_sv


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a g

Wyckoff_letters: b g g


species: Pb Se Sn

species_pp: Pb_d Se Sn

Wyckoff_letters_orig: a d


species: Mg Sn Te

species_pp: Mg_pv Sn Te

Wyckoff_letters_orig: a b b

Wyckoff_letters: b e e


species: O Sc Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class: dihexagonal-dipyramidal


species: Co O Sn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr O V

Wyckoff_letters_orig: a e f

Wyckoff_letters: a c f


species: Ca O V

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Fe O


species: Ca O Zr

sg2:
Pban #50
Cmmm #65
Cmmm #65

aflow_prototype_params_list_relax: a b/a c/a z3


species: Ca O W

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cl Pr Te

species_pp: Cl Pr Te


species: Ca Cr O

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a b e h

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: d a

Wyckoff_letters: e e e


species: Ca Cu O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e e

Wyckoff_letters: a e

Wyckoff_letters: c e e


species: Ca K O

sg2:
Pnma #62
Pnma #62
Pnma #62


species: I Li Rb

Wyckoff_letters_orig: a c c

Wyckoff_letters_orig: a c

Wyckoff_letters: a c c

Wyckoff_letters: a c


species: I Mg Na


species: K Mg O


species: K O Pb


species: O Rb Ta

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m m m m m m m

Wyckoff_letters: e e e e e e e e

Wyckoff_site_symmetries: m m m m m m m m


species: As La S

species_pp: As La S


species: Br S Sb

species_pp: Br S Sb


species: Ca Cs I

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: I Na Rb

Wyckoff_letters_orig: a a a b b

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a a b b

Wyckoff_letters: a a b


species: Mg Tl Y

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ag Se Tl

species_pp: Ag Se Tl_d


species: Ni Zn Zr

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ba O S

species_pp: Ba_sv O S

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d d

Wyckoff_letters_orig: d d

Wyckoff_letters: d d d d

Wyckoff_letters: d d


species: Cl Cs W

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: La Ni Sn

species_pp: La Ni_pv Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo Na O

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70


species: Al Cu Nd

species_pp: Al Cu_pv Nd

Wyckoff_letters_orig: b c


species: Cs F Sc

sg:
Pmma #51
Pmmm #47
Pmmm #47

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: a e j k l

Wyckoff_letters_orig: c g

Wyckoff_letters: a e j k l

Wyckoff_letters: c g