species: Mg Sn Te

species_pp: Mg_pv Sn Te

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: d d

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: d d


species: Fe O V

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

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

point_group_type: centrosymmetric

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: i i i i

Wyckoff_site_symmetries: m m m m


species: Fe O Ti

Bravais_lattice_orig: TET

lattice_variation_orig: TET

lattice_system_orig: tetragonal

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: Co O Sc

species_pp: Co O Sc_sv

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

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

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

lattice_system_orig: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_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

aflow_prototype_params_list_relax: a c/a


species: Co O V

species_pp: Co O V_sv

Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

crystal_class_orig: tetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT


species: O W Zn

species_pp: O W_pv Zn

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

Wyckoff_letters: c e


species: Cr O Sn

species_pp: Cr_pv O Sn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

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

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Cd Co O

species_pp: Cd Co O

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: a b f f k

Wyckoff_letters_orig: e f h k k

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: a b f f k

Wyckoff_letters: e f h k k


species: Nb Ni O

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: trigonal-pyramidal

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

crystal_system: trigonal

crystal_class: trigonal-pyramidal

point_group_structure: cyclic

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 a a a

Wyckoff_letters: a a a

Wyckoff_letters: b b b


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Wyckoff_letters_orig: c c

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Wyckoff_letters: c c


species: Mg O Sc

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: Fe O Zr

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: Co Cr O

species_pp: Co Cr_pv O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: O W Zr

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m


species: Fe Mn O


species: Cd Fe O

species_pp: Cd Fe_pv O

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Ca O V

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF


species: Cu Nb O

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pedial

point_group_structure: trivial

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: a a a a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: Mg O Sn

species_pp: Mg_pv O Sn

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: c e


species: Mg Pb Se

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ca Fe O

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cr Nb O


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: b g

Wyckoff_letters: b g

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Nb O Sn

species_pp: Nb_sv O Sn

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Mg O W

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co O V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca Cr O


sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O Sr Zr

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: d i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: d i


species: Mg Mn O

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b

crystal_family: cubic

crystal_system: cubic

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

Wyckoff_letters: a b

Wyckoff_letters: a a b b


species: Br K Ni


species: O Sr W


Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: 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

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e

Wyckoff_letters: e e e e e


species: Mn O Zr


species: O W Zn

aflow_prototype_params_list_orig: a c/a


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j

Wyckoff_letters: c i

Wyckoff_site_symmetries: m m 1


Wyckoff_letters_orig: b f

crystal_class: hexoctahedral

aflow_prototype_params_list_orig: a b/a c/a


Wyckoff_letters_orig: b c e

Wyckoff_site_symmetries_orig: mmm mmm mmm


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cl Hf Hg

species_pp: Cl Hf_pv Hg

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b a a c

Wyckoff_letters: c e f


species: Nb O Ti


species: Cd Fe O

crystal_class_orig: monoclinic-prismatic

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


species: Cd Cr O

species_pp: Cd Cr_pv O

crystal_class: tetragonal-dipyramidal


species: O Sn W

species_pp: O Sn W_pv

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

crystal_class_orig: hexoctahedral

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC


species: Mg O Sc

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

crystal_class_orig: ditetragonal-dipyramidal

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


species: Fe Ni O


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Mn O Sc


species: Cr Fe O

crystal_class: monoclinic-prismatic


species: Mg Mn O


species: Ca Cr O

sg:
Pnma #62
Imma #74
Imma #74

sg2:
Pnma #62
Imma #74
Imma #74

crystal_class_orig: orthorhombic-bipyramidal


crystal_class: ditetragonal-dipyramidal


species: Fe O Zr


species: Co O Ti

species_pp: Co O Ti_sv


species: Ca O Sr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe O W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd O Sn

species_pp: Cd O Sn


species: O Sc W

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Br Na Ni

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: c d

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: c d


Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: a a a


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: a e


species: Cr O Ti

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

crystal_class: orthorhombic-bipyramidal


species: Fe O V


species: Ca O Zn

species_pp: Ca_sv O Zn

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Ca O Zr


species: Mn Ni O

Wyckoff_letters: a a a


species: Co Mg O

species_pp: Co Mg_pv O


species: Bi O Ti

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a b b

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: a b b

Wyckoff_site_symmetries: m m


crystal_class: ditrigonal-scalahedral


species: Cr Mn O


species: Cl Cu Li


species: Mg Ni O


species: Cd Mn O

species_pp: Cd Mn_pv O

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Fe Nb O


species: Cr O V


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Ti Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cr O Zr


species: Cr O Sr


species: Nb O Zr

Wyckoff_site_symmetries_orig: m m m

crystal_class: ditetragonal-pyramidal


species: Mg O Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m


species: Ca Ni O

Wyckoff_letters_orig: e f


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: O Sn V

species_pp: O Sn V_sv

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j


species: Cd Cr O


species: Ca O W

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Fe O Zr

Wyckoff_letters: a e


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Mg O Zr

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a


species: Co O Sr

species_pp: Co O Sr_sv

crystal_class_orig: ditetragonal-pyramidal


species: Co Mg O

crystal_class_orig: tetragonal-dipyramidal


species: Cr Mg O


species: Cd O V

species_pp: Cd O V_sv

crystal_class: rhombohedral


species: Cd O Sn


species: Ca Nb O

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Co Mn O

species_pp: Co Mn_pv O


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: ditrigonal-scalahedral


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Nb O Zr

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O V W

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: O Sr Zr

aflow_prototype_params_list_orig: a c/a z2


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Mn O V


species: Mn O Sn

species_pp: Mn_pv O Sn


species: Nb O Ti


species: Cr O V

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Ca O Ti


species: Cl Rb Ti

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd O Zr

species_pp: Cd O Zr_sv


species_pp: Cd O Sn

Wyckoff_site_symmetries_orig: 3m .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_site_symmetries: 3m .m .m


species: Cd Mn O


species: Ca Fe O


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Ni O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Co Nb O

species_pp: Co Nb_sv O


species: Co Ni O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: b i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: i i

Wyckoff_letters: b i i i

Wyckoff_site_symmetries: 2/m m m m


species: Cd O Sb

species_pp: Cd O Sb

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c


species: Ca Mg O

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71


species: Fe O V


species: Mg Mn O


species: Cd O Sn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b b

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

Wyckoff_letters_orig: a a a

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

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a b b b

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

Wyckoff_letters: a a a

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


species: Mg Nb O


species: Br Cr Na

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ca O W

crystal_class_orig: rhombohedral


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O Ti

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Br Mg Rb

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Mg O Zr


species: Fe Ni O

crystal_class_orig: triclinic-pedial


species: Nb Ni O


species: O Sc Zn

species_pp: O Sc_sv Zn

crystal_class_orig: ditrigonal-pyramidal


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: d g

Wyckoff_letters: d i


species: Fe O Sc

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: d i

crystal_class: tetragonal-scalenoidal


species: Ni O Zr


species: Cd Ni O


species: Mg O Sr


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mn O Sn

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: Ca O Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a e e

Wyckoff_site_symmetries_orig: -1 m m

Wyckoff_letters: a e e

Wyckoff_site_symmetries: -1 m m


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


crystal_class_orig: hexagonal-pyramidal


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b g g

Wyckoff_letters: b g g


species: O Sc Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co O V

crystal_class_orig: ditetragonal-dipyramidal


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i

Wyckoff_letters: i i j


species: Co Nb O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Mg Se Sn

species_pp: Mg_pv Se Sn


species: O V W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Ge Tl

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Mg Mn O


species: Cr Fe O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: c c


species: Ni O Sr


species: Cr O Sr

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca O Sr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe O Sr


species: Cs F Ta


species: Mn O V

crystal_class_orig: dihexagonal-dipyramidal


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: Mn Ni O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Co O V


species: Cr O W


species: Ca O Sc

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: F K Zr


species: Nb O Sn

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Bravais_lattice_relax: ORCF

Wyckoff_letters_orig: a g

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a g


crystal_class_orig: orthorhombic-pyramidal


species: Co Mg O

species_pp: Co Mg_pv O


species: O Sc W

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a


species: Cd Mn O

species_pp: Cd Mn_pv 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

Wyckoff_letters: a a a a

Wyckoff_letters: b b b


species: Ca Cd O

Wyckoff_letters_orig: b b c c

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: b c c c c c

crystal_class: hexagonal-pyramidal

Wyckoff_letters: b b c c

Wyckoff_letters: a c

Wyckoff_letters: b c c c c c


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: a d


species: Mg O Ti

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Nb O Sc

Wyckoff_letters_orig: b g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b g


species: Mn O W

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co Mn O

species_pp: Co Mn_pv O

crystal_class_orig: dihexagonal-pyramidal


species: Fe Ni O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca O Zr


Wyckoff_letters_orig: a e


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class: orthorhombic-bipyramidal


species: Nb O V

crystal_class_orig: ditrigonal-scalahedral


species: Co O Sc

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c


species: Co O Zr

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: O Sr Zn

species_pp: O Sr_sv Zn


species: I K Na

Wyckoff_letters: c c


species: Li Nb O


crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Na Nb O


species: K Nb O

Wyckoff_letters_orig: a a c

Wyckoff_letters: a a c


species: K O Pb

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a a a a a a


species: Cd K O

species_pp: Cd K_sv O

crystal_class: monoclinic-prismatic

Wyckoff_letters: a e


species: Co In Mo

crystal_class: dihexagonal-dipyramidal


species: N O Ta

species_pp: N O Ta_pv

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ba O V

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: b f f

Wyckoff_letters: f f f

Wyckoff_letters: b f f


species: C O Sr

species_pp: C O Sr_sv


species: Al H O

species_pp: Al H O


species: Ba O Pb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: h g i

Wyckoff_letters: g h i


species: Mn O Ti

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d d

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b c

Wyckoff_letters: d d


species: Ba Mg Sn


species: F Fe K

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

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a a a

Wyckoff_letters: c c d d d


species: Cl K Ta

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Wyckoff_letters_orig: i i i i i i i

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Wyckoff_letters: i i i i i i i


species: Ga Lu O

species_pp: Ga_h Lu O

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: a d

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

Wyckoff_letters: a d


species: Hf O Si

species_pp: Hf_pv O Si

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

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

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


species: F K Pb

Wyckoff_letters_orig: c g


species: Cs F Nb

Wyckoff_letters_orig: b f

Wyckoff_letters_orig: h k

Wyckoff_letters: b f

Wyckoff_letters: h k


species: Ca Na O

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Cs Nb O

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: b e

Wyckoff_letters: e e e e


species: I Na Rb

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Li Nb O

Wyckoff_letters_orig: e e

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: e e


species: Nb O Pb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: K Nb O

sg:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: h e

Wyckoff_letters_orig: m n

Wyckoff_letters: e f


species: Mg O Pb

Wyckoff_letters_orig: a d d

Wyckoff_letters_orig: e i i

Wyckoff_letters_orig: b c d

Wyckoff_letters: a d d

Wyckoff_letters: e i i

Wyckoff_letters: b c d


species: Na O Rb

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: i j

Wyckoff_letters: h i

Wyckoff_letters: i j


species: I Nb Rb


species: F Li Na


species: Na Nb O

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


species: Ca I Na


species: Ca O Pb

crystal_class_orig: ditetragonal-dipyramidal


species: I K Nb

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: f g j

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: f g j


species: I Pb Rb

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: g g g

Wyckoff_letters: a d


species: Ga O V


species: I Nb Ta

Wyckoff_letters_orig: a i i i

Wyckoff_letters: a i i i


species: Fe Ho O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Sm V

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h k

Wyckoff_letters_orig: a b f

Wyckoff_letters_orig: f f

Wyckoff_letters: g h k

Wyckoff_letters: a b f

Wyckoff_letters: f f


species: Cu Mn O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ce Mn O

species_pp: Ce Mn_pv O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr O Pm

species_pp: Cr_pv O Pm


species: O Sm Tb

Wyckoff_letters_orig: c d e e g

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e

Wyckoff_letters: c d e e g

Wyckoff_letters: e e

Wyckoff_letters: a e


species: Cs F Nb

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: a e j k l

Wyckoff_letters: a e j k l


Wyckoff_letters_orig: e e f

Wyckoff_letters: e e f


species: Ce Fe O

species_pp: Ce Fe_pv O

Egap_DOS_type: metal

Wyckoff_letters_orig: b b


species: Ca O Zr

Egap_DOS_type: insulator

Wyckoff_letters_orig: e e f f

Wyckoff_letters_orig: b e

Wyckoff_letters: e e f f

Wyckoff_letters: b e


species: Cu O Pm

species_pp: Cu_pv O Pm

Wyckoff_letters_orig: a c

Wyckoff_letters: a c

Wyckoff_letters: e f


species: Cu O Pr

species_pp: Cu_pv O Pr

crystal_class: rhombohedral


species: Nd O Ti

species_pp: Nd O Ti_sv


species: Ho O Ti

Wyckoff_letters_orig: c d d i i i

Wyckoff_letters_orig: a d e f i i

Wyckoff_letters: c d d i i i

Wyckoff_letters: a d e f i i


species: O Tb Ti


species: Cd Co O

species_pp: Cd Co O

crystal_class_orig: tetragonal-scalenoidal


species: Cr Mn O


species: Ir Si Tb

species_pp: Ir Si Tb_3


species: Cr O Sr

Wyckoff_letters_orig: a c g

Wyckoff_letters_orig: i j

Wyckoff_letters: a d g

Wyckoff_letters: i j


species: Co O Sn

species_pp: Co O Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Mn O Sr


species: Cd O Zr

species_pp: Cd O Zr_sv


species: O Sr Ti

sg2:
Ama2 #40
Cmcm #63
Cmcm #63

crystal_class_orig: orthorhombic-pyramidal


species: Ca Mn O


species: Cr O W

Wyckoff_letters_orig: d g

Wyckoff_letters: d i


species: O W Zr

crystal_class_orig: hexoctahedral


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Cd O Sn

species_pp: Cd O Sn

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: Fe Nb O

Wyckoff_letters_orig: i i

Wyckoff_letters: a d

Wyckoff_letters: i i


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ni O Ti

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Fe Ni O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


species: Br Cr Rb

Wyckoff_letters_orig: b a a c


species: Mo O Pb

crystal_class_orig: tetragonal-dipyramidal


Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca F Hg

species_pp: Ca_sv F Hg

Wyckoff_letters_orig: e e e


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: b d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: b d


species: O Sc Zn

species_pp: O Sc_sv Zn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b


species: Ni O Zn

species_pp: Ni_pv O Zn


species: Ca Fe O


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters: c i


species: O V Zr


Wyckoff_letters_orig: b i

Wyckoff_letters: b e


species: Ca Mg O

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: F Na Ta

Wyckoff_letters: b a a c


species: Ca Cr O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Nb O Sr


species: Fe O Sc

Wyckoff_letters_orig: a d


species: O Sc Ti

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

point_group_structure: symmetric


species: Mg Sn Te

species_pp: Mg_pv Sn Te

Wyckoff_letters_orig: b e g

Wyckoff_letters: b e g


species: Co O V

species_pp: Co O V_sv

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: Co Cu F

species_pp: Co Cu_pv F

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Cr O W

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Nb O W


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: a b b b

Wyckoff_letters_orig: b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b b

Wyckoff_letters: b b


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b b


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters: a b


Wyckoff_letters_orig: d i

Wyckoff_letters_orig: a b d

Wyckoff_letters: d i

Wyckoff_letters: a b d


species: Cr O Sc

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ca Fe O


species: Cr O V

crystal_class: hexoctahedral

Wyckoff_letters: a c


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: i i i


species: Fe O V

crystal_class: ditetragonal-dipyramidal


species: Ca Mn O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

crystal_class: orthorhombic-bipyramidal


species: Ni O Zr


Wyckoff_letters: a d


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a a c

Wyckoff_letters: c c

Wyckoff_letters: a a c


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: e e

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


species: Co O Zn

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Br Nb Se

species_pp: Br Nb_sv Se

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a


species: O W Zr

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: Fe O Sc

Wyckoff_letters_orig: c e f

Wyckoff_letters_orig: a e

Wyckoff_letters: c e f

Wyckoff_letters: a e


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Br Cr Rb


species: Co O Zr

Wyckoff_letters: i i i


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Fe Mn O


species: O V W


species: S Sn Zn

species_pp: S Sn Zn

crystal_class_orig: monoclinic-domatic

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

Wyckoff_letters_orig: a a a b b b

crystal_class: monoclinic-domatic

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

Wyckoff_letters: a a a

Wyckoff_letters: a a a b b b


crystal_class: monoclinic-prismatic


Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Br Ga Tl

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: b f

Wyckoff_letters: e l

Wyckoff_letters: b f


species: Cd O Sn

species_pp: Cd O Sn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a


species: Mn Nb O

crystal_class: dihexagonal-dipyramidal


species: Fe Nb O


species: Ca O Zr


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: a a a

Wyckoff_letters: b e


species: O Sc W

crystal_class_orig: ditetragonal-dipyramidal


species: O Sc V

Wyckoff_letters: b a


species: Sn Te Zn

species_pp: Sn Te Zn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Co Fe O

species_pp: Co Fe_pv O


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: i i j

Wyckoff_letters: n m


species: O Sr Zr

Wyckoff_letters: a h


species: Cd O Sr

species_pp: Cd O Sr_sv

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: O W Zr

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: O W Zn

Wyckoff_letters_orig: c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c


species: Cr Na Te


species: Cr O W

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: O Ti V

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mg O Zr

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: O Sr V


species: Fe O Sc


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: c g

Wyckoff_letters: c e


species: O Pd Sc


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Nb O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O Sc W


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Mn O Zn

species_pp: Mn_pv O Zn


species: O Ti Zr

crystal_class_orig: dihexagonal-dipyramidal


species: Mg Ni O

Wyckoff_letters_orig: a b


species: Fe Ni O


species: O Sc Sr


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: e f


species: Nb O Zr


species: Co O Sr

species_pp: Co O Sr_sv


species: Co O Sc

species_pp: Co O Sc_sv

crystal_class_orig: trigonal-trapezoidal


species: Mg O V

Wyckoff_letters_orig: a i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_site_symmetries: 2/m m m


species: O Ti V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca O Sr


species: Ca Fe O

Wyckoff_letters_orig: a a a a a

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: a a a a a


species: Ni O Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Co Cr O

species_pp: Co Cr_pv O


species: Ni O Sc


species: Cd Cr O

species_pp: Cd Cr_pv O

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Mg O W


species: Pb Te Zn

species_pp: Pb_d Te Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a k

Wyckoff_letters_orig: k l

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a k

Wyckoff_letters: k l


species: Br Co Cu

species_pp: Br Co Cu_pv

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 O Sr


species: Cr Ni O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O V W

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters: e f


species: Mg Pb Te

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Nb O

crystal_class: trigonal-trapezoidal


species: Ge Mg Te

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

Wyckoff_letters: a c

Wyckoff_letters: b c

Wyckoff_letters: d h


species: Mn O Sr


species: Ca O W


species: Mg Mn O

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Ca Ni O


species: O Ti V


species: Cs I Nb

Wyckoff_letters_orig: e e e f f

Wyckoff_letters: e e e f f


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: e f f f

Wyckoff_letters: f f

Wyckoff_letters: e f f f


species: Cr O Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Sr Zr

crystal_class_orig: trigonal-pyramidal


species: Nb O Zn

species_pp: Nb_sv O Zn

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Br Cr 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: O Ti Zr


species: Bi O Ti

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Ni O Zr

crystal_class_orig: ditrigonal-scalahedral


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: O Sr Ti

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b b


species: Ca Cr O

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a


species: O Sc Sr


species: Ca Hf O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca Mn O

crystal_class_orig: monoclinic-prismatic


species: Ca O V


species: Nb O W


species: O Sc W

sg2:
Immm #71
Immm #71
Immm #71


species: Co Nb O

species_pp: Co Nb_sv O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Fe Mn O

Wyckoff_letters_orig: b c i i i

Wyckoff_letters: b c i i i


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class_orig: ditrigonal-pyramidal


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a d


species: Cd O Sn

species_pp: Cd O Sn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co O Sr

crystal_class_orig: orthorhombic-bipyramidal


species: Ca Fe 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: F Fe Ti

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c c c


species: Cr Fe O

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: b e

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i i


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Fe Ni O

crystal_class_orig: ditetragonal-dipyramidal


species: Cd Cs I

species_pp: Cd Cs_sv I

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Co Mn O

species_pp: Co Mn_pv O


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: O Sc V

crystal_class: ditrigonal-pyramidal


species: Co O V

species_pp: Co O V_sv


species: Ho O Zr

crystal_class: hexoctahedral


species: Co Mg O

species_pp: Co Mg_pv O


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: h g i

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: g e


species: La O V

species_pp: La O V_sv

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Mn O Zr

Wyckoff_letters_orig: c d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d


species: Cd O Ru

species_pp: Cd O Ru_pv


species: Cr Mn O

Wyckoff_letters_orig: d i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: d i


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb O Zn

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Nb Ni O

crystal_class: monoclinic-prismatic


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b f


species: Co O Ti

species_pp: Co O Ti_sv


species: Bi O Ti

Wyckoff_letters_orig: b c i

Wyckoff_letters: b c i


species: Mg Ni O


species: Cd F K

species_pp: Cd F K_sv

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca F Hf

Wyckoff_letters_orig: c c c c


species: Co Nb O

species_pp: Co Nb_sv O


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: c d d

Wyckoff_letters: e f

Wyckoff_letters: g g g

Wyckoff_letters: c d d


species: Ag S Tl

species_pp: Ag S Tl_d


species: Cr Ni O

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Co Mg O

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Al F Rb

species_pp: Al F Rb_sv

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: a d

Wyckoff_letters: e i

Wyckoff_letters: a d


species: Co Ni O

species_pp: Co Ni_pv O

sg:
Immm #71
Immm #71
Immm #71


species: Ni O V

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: Fe O Zr

Wyckoff_letters_orig: i i j

Wyckoff_letters: g j


species: Fe O Ti


species: Cr O Sn

species_pp: Cr_pv O Sn


species: Co O Sr

species_pp: Co O Sr_sv


species: Nb Ni O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Ca Mn O

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Mg O W

Wyckoff_letters_orig: c e f

Wyckoff_letters_orig: a e

Wyckoff_letters: c e f

Wyckoff_letters: a e


species: O Sr Ti

Wyckoff_letters_orig: a b b

Wyckoff_letters: b f


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Ni O Zr


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn O W

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: f f

Wyckoff_letters: e e

Wyckoff_letters: f f


species: O Ti W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca Mg O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Ca Cr O

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters: e g


species: O Ti Zr

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Co O Sn

species_pp: Co O Sn

aflow_prototype_params_list_relax: a b/a c/a beta


species: Cd O V

species_pp: Cd O V_sv

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cr Fe O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g

Wyckoff_letters: b g g


species: Cr O W


species: F Hf Li

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni O W

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Nb O Sc


species: Co O Sc

species_pp: Co O Sc_sv

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c c


species: Ni O Sr


species: Cr Nb O

crystal_class: ditrigonal-scalahedral


species: Mn Ni O


species: Bi O Ti

Wyckoff_letters_orig: g h i

Wyckoff_letters: g h i


species: Ca Mn O


species: O W Zr


species: Ca O Sr


species: Ca O Sc


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: O Sn V

species_pp: O Sn V_sv


species: Ca O Ti


species: Nb O W


species: Nb O Sn

species_pp: Nb_sv O Sn


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Mn Nb O


species: Ca Cd O

species_pp: Ca_sv Cd O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: d i

Wyckoff_letters: b d

Wyckoff_letters: d i


species: Co Mn Si

species_pp: Co Mn_pv Si


species: Ni O Ti

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Sc Zr


species: Nb O Ti

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cr O Sc

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cd F Sb

species_pp: Cd F Sb


species: O Zn Zr

species_pp: O Zn Zr_sv

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a a


species: Ni O Sn

species_pp: Ni_pv O Sn

crystal_class_orig: monoclinic-prismatic


species: Cr O Sr


Wyckoff_letters_orig: a e


species: Mn O Zr


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe O Sc

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Nb Ni O

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b b b

Wyckoff_letters: b b

Wyckoff_letters: a b b b


species: O Ti Zr

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c

Wyckoff_letters: d d

Wyckoff_letters: a c


species: Cr Mn O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Gd Hf O

species_pp: Gd Hf_pv O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: F Hg Tl

species_pp: F Hg Tl_d


species: Cr Mg O


species: Ca Mg O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe O Zn

aflow_prototype_params_list_relax: a c/a z2


species: O W Zr

Wyckoff_letters_orig: a g g

Wyckoff_letters: a g g


species: Cl Ti Tl

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cr Ni O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a b e h

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: a d

Wyckoff_letters: e e e


species: Co O Sc

crystal_class_orig: tetragonal-scalenoidal


species: Ge Hf Te


species: Fe O V

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca Nb O


species: Ca Ni O

crystal_class_orig: tetragonal-dipyramidal


species: Ca O Sr

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

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

Wyckoff_letters: f i h


species: Fe O Sc


species: Cd O W


species: Ca O Ti

crystal_class_orig: ditrigonal-pyramidal


species: Mg Te Zn

species_pp: Mg_pv Te Zn

crystal_class_orig: orthorhombic-bipyramidal


species: Mg O V

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Mn O


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Cl Co Na

species_pp: Cl Co Na_sv

Wyckoff_letters_orig: e h i

Wyckoff_letters: e h i


Wyckoff_letters_orig: a a


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: a b i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i

Wyckoff_letters: a c i


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a b

Wyckoff_letters: a b

Wyckoff_letters: c c c

Wyckoff_letters: a a b


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Sn W

species_pp: O Sn W_pv


species: Nb O Sn

species_pp: Nb_sv O Sn

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a


species: Br Ta Te

species_pp: Br Ta_pv Te

Wyckoff_letters_orig: e e e f f f

Wyckoff_letters: e e e f f f


species: Ca O W

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e e

Wyckoff_letters: e e

Wyckoff_letters: a e e


species: Ge Se Zn

species_pp: Ge_h Se Zn

Wyckoff_letters_orig: h g i

Wyckoff_letters: h g i


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ca Fe O


species: Pb S Sn

species_pp: Pb_d S Sn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr O Sc


species: Ge S Zn

species_pp: Ge_h S Zn

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c

Wyckoff_letters: d d

Wyckoff_letters: a c


species: Mg O Zr

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: i i


species: Br Li Zr

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: a d

crystal_class: trigonal-trapezoidal

Wyckoff_letters: e g

Wyckoff_letters: a d


species: O Ti Zn

species_pp: O Ti_sv Zn

crystal_class_orig: triclinic-pinacoidal


species: Nb O Sr


species: O V Zr


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Fe O V


Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Mg Se Sn

species_pp: Mg_pv Se Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Mg O

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e e

Wyckoff_letters: a h

Wyckoff_letters: c h g


species: Ca K O

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Cs O Ta

crystal_class_orig: dihexagonal-dipyramidal


species: I Mg Nb

crystal_class: tetragonal-dipyramidal


species: I Na Rb


species: Li Nb O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e l

Wyckoff_letters: a f

Wyckoff_letters: e l


species: Nb O Rb


Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a

Wyckoff_letters: a a b b

Wyckoff_letters: a a


species: Al Ba F

species_pp: Al Ba_sv F

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c c d d d

Wyckoff_letters: c c c

Wyckoff_letters: c c c d d d


species: Ga Ho Mn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: b c


species: Au Pb Pr

species_pp: Au Pb_d Pr


species: As Bi O

species_pp: As Bi_d O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: Mo Na O

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: d f

Wyckoff_letters_orig: f f f g g

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: e f

Wyckoff_letters: d f

Wyckoff_letters: f f f g g


species: As Co Cr

species_pp: As Co Cr_pv

crystal_class: hexoctahedral


species: Mo N O

species_pp: Mo_pv N O

Wyckoff_letters_orig: e e e e e f f f

Wyckoff_letters: e e e e e f f f


species: Ca F Li


species: Cu Dy S


Wyckoff_letters_orig: c d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d e


species: Na Nb O

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: I Li Nb


species: Ag Cu Tb

crystal_class_orig: tetrahedral


species: Ca Li O

crystal_class: monoclinic-prismatic


species: Cs I Mg

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li Mg O


Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e e

Wyckoff_letters: a e

Wyckoff_letters: e e e


species: Li Nb O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: b h

Wyckoff_letters_orig: c g g h

Wyckoff_letters: b h

Wyckoff_letters: c g g h


species: Li O Ta


species: La O Ti

species_pp: La O Ti_sv

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a b b c c

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

Wyckoff_letters_orig: a b c

Wyckoff_letters: a a b b c c

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

Wyckoff_letters: a b c


species: Ca I Rb

Wyckoff_letters_orig: a b e h

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: d c


species: Cu Ga O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: d e

Wyckoff_letters_orig: a k

Wyckoff_letters: d e

Wyckoff_letters: a k


species: Ho O V

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: c c c

crystal_class: hexagonal-pyramidal

Wyckoff_letters: c c c


species: Ce O V

species_pp: Ce O V_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a


species: O Pm Ti

species_pp: O Pm Ti_sv


species: Dy O Sm


species: K Nb O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Eu Ni O

species_pp: Eu Ni_pv O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sm Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: h g


species: Ca K O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b b

Wyckoff_letters: a b

Wyckoff_letters: a a b b b


species: F Pb Rb

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: S Se Zn

species_pp: S Se Zn

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_site_symmetries_orig: m m m m m m m m

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a a a

Wyckoff_site_symmetries: m m m m m m

Wyckoff_site_symmetries: m m m m m m m m


species: Ce Mn O

species_pp: Ce Mn_pv O

Wyckoff_letters_orig: a a a

crystal_class: tetragonal-pyramidal

Wyckoff_letters: a a a


species: Gd O Ti

species_pp: Gd O Ti_sv

Wyckoff_letters_orig: b i j

Wyckoff_letters: b i j


crystal_class: ditrigonal-scalahedral


species: Ca Mg O


species: Ce O Sm

species_pp: Ce O Sm_3


species: O Pr Zn

species_pp: O Pr Zn

Wyckoff_letters_orig: h n

Wyckoff_letters_orig: a b c

Wyckoff_letters: h n

Wyckoff_letters: a b c


species: I Nb Rb


species: Fe O Tb

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: a d f

Wyckoff_letters: g g g

Wyckoff_letters: a d f


species: I Na Pb

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Cl Cs Pb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu O Tb

Wyckoff_letters_orig: a b d

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b a c

aflow_prototype_params_list_relax: a c/a z5


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: ditrigonal-pyramidal


species: Ni O Sc

crystal_class_orig: orthorhombic-bipyramidal


species: Nb O V


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Mg O Zr

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: F O P

species_pp: F O P


species: Mg Nb O

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

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O V W


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Nb O Sc

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Mn O W

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: b c

Wyckoff_letters: a c

Wyckoff_letters: d h

Wyckoff_letters: b c


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Mg Ni O

Wyckoff_letters_orig: i i i


species: O Sr V


Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr O Sn

species_pp: Cr_pv O Sn


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: O V Zr


species: O Sc Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: a a


species: Cr O W


species: Ca O W

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Fe Ni O


species: Fe O V


species: Cd Fe O

species_pp: Cd Fe_pv O


species: O Sr Ti


species: O Ti V


species: Mg O V

crystal_class_orig: hexoctahedral


species: Nb O V

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: e f f f

Wyckoff_letters: f f

Wyckoff_letters: e f f f


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h

Wyckoff_letters: i i j

Wyckoff_letters: a h


Wyckoff_letters: a a


crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a


species: Cr O V

Wyckoff_letters_orig: b f


species: O Pd Tl

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ni O Sn

species_pp: Ni_pv O Sn


species: O Sr V

crystal_class_orig: tetragonal-dipyramidal


species: Ca Nb O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: d g

Wyckoff_letters: a e


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb Ni O

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Nb O Zr

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters: b f


species: Ca Fe O

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: O Sc Ti


species: Pb Sn Te

species_pp: Pb_d Sn Te

Wyckoff_letters_orig: b e g

Wyckoff_letters: b e g


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: a a

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: O Sr W


species: Mg Ni O

Wyckoff_letters_orig: a b c d

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b c d e e e e

Wyckoff_letters: a b c d

Wyckoff_letters: e e

Wyckoff_letters: a b c d e e e e


species: O Zn Zr

Wyckoff_letters_orig: i i i


species: Ca O V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr O Ti


species: O Sr Ti

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: O Sc Zr


species: Fe Nb O

crystal_class: tetragonal-dipyramidal


crystal_class: orthorhombic-bipyramidal


species: Co O Sc

species_pp: Co O Sc_sv

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c c d

Wyckoff_letters: a c

Wyckoff_letters: c c c d


species: Ca O Ti

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca O Zr


species: Cd O V

species_pp: Cd O V_sv

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a


species: O W Zn

species_pp: O W_pv Zn

crystal_class: ditrigonal-pyramidal


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: a e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a e


species: Ca Fe O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Mg Mn O


species: Cr Fe O

Wyckoff_letters_orig: i i


species: Ca O Sr

Wyckoff_letters_orig: a c m

Wyckoff_site_symmetries_orig: mmm mmm ..2

Wyckoff_letters: a c m

Wyckoff_site_symmetries: mmm mmm ..2


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Fe O Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Cr O W

crystal_class: monoclinic-prismatic


species: Cr O Zr

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: Ca Cd O

Wyckoff_letters_orig: a c d e

Wyckoff_letters: a g e


species: O V W

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a f

crystal_class: hexoctahedral

Wyckoff_letters: a f


species: Co Mn O

species_pp: Co Mn_pv O


species: O Sr V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Nb O V


species: Mn Nb O

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Pmmn #59
Immm #71

Wyckoff_letters_orig: b e

Wyckoff_letters: c f


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ni O Sc


species: Ca Mn O


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca O W

crystal_class_orig: ditrigonal-scalahedral


species: Fe Mg O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species_pp: Ca_sv Cd O

crystal_class_orig: monoclinic-prismatic


sg2:
Pm #6
Pm #6
Pm #6


species: Co O W


species: Bi O Ti

sg:
Pmmn #59
Pmmn #59
I4/mmm #139

sg2:
Pmmn #59
Pmmn #59
I4/mmm #139

Wyckoff_letters: b d


species: Mn Ni O


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class: ditrigonal-scalahedral


crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-dipyramidal


species: Mg Mn O


species: Br Ni Sc

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: c a

Wyckoff_letters: a c


species: Co O Sr

species_pp: Co O Sr_sv

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b

Wyckoff_letters: c c c


species: Ni O Zn

species_pp: Ni_pv O Zn


species: Br Fe K

Wyckoff_letters_orig: b a a c

Wyckoff_letters: c e f


species: Ca Cr O


species: Fe O Ti


species: O Sc Ti

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Ni O Zr

crystal_class: dihexagonal-dipyramidal


species: O Sn V

species_pp: O Sn V_sv

crystal_class_orig: diploidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c

crystal_class: diploidal

Wyckoff_letters: d d


species: Cl Hf Na

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: b g

Wyckoff_letters: e h i

Wyckoff_letters: b g


species: Cr O W

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Sc W

sg:
Imma #74
Imma #74
Imma #74


species: O Zn Zr

species_pp: O Zn Zr_sv

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i i i i i

Wyckoff_letters: i i i


species: O Sn W

species_pp: O Sn W_pv


species: Ca Cd O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: Ni O W

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Cr Ni O


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Co O Sr


species: Nb O Sr

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: c g

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: c g


species: Ge Pb Te

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn O Zr

crystal_class_orig: ditetragonal-dipyramidal


species: Mn O Sc

crystal_class_orig: ditrigonal-pyramidal


species: Cr O Sc

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


species: Mn O V

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

crystal_class: orthorhombic-bipyramidal


species: Fe Mn O


species: Ca O Ta

Wyckoff_letters: c c c c

Wyckoff_letters: c c


species: Ca Nb O

crystal_class_orig: tetragonal-disphenoidal


species: Cd Mg O


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: Cr Mg O

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: b e

Wyckoff_letters: c f


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cr O Sr

Wyckoff_letters_orig: b d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b d


species: Cl Li Sb

species_pp: Cl Li_sv Sb

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e e

Wyckoff_letters: a e


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Ca Ni O

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd O Zr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a a


Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Co O Zn

species_pp: Co O Zn

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c e


species: Fe Ni O


species: Co O W

species_pp: Co O W_pv


species: Mn O Sn

species_pp: Mn_pv O Sn


species: O V W


species: Cd Fe O


species: Cr Fe O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i

Wyckoff_letters: a i

Wyckoff_letters: i i


species: Ni O Ti


species: Fe O Zr


species: Nb O V


species: Mn Nb O

crystal_class: ditrigonal-pyramidal


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Co Mn O

species_pp: Co Mn_pv O


species: K Mo O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: h h h

Wyckoff_letters: h g

Wyckoff_letters: g j


species: Ca Cr O

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: i i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: a h

Wyckoff_letters: i i j


species: Co Nb O

species_pp: Co Nb_sv O


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: e e

Wyckoff_letters: f f


species: Cd Co O

species_pp: Cd Co O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Ti Zr

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Nb O Zn

species_pp: Nb_sv O Zn


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


crystal_class_orig: monoclinic-prismatic


sg2:
Cc #9
Cc #9
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters: b a


species: Ge Sn Te

species_pp: Ge_h Sn Te

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: d d

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a c

Wyckoff_letters: d d


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Fe O Sr

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: f f


species: Co O W

crystal_class: ditrigonal-scalahedral


species: O Ti W

crystal_class_orig: orthorhombic-bipyramidal


species: Co O Zn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters: c c c c


species: O Sc Sr


species: Mn O W


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Co O Sc

species_pp: Co O Sc_sv

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mg O Sc


species: Ca Co O

sg2:
Immm #71
Immm #71
Immm #71


species: Mg Pb Se

Wyckoff_letters_orig: h g


species: Cr O Zr

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


crystal_class_orig: ditetragonal-dipyramidal


species: Cr O Ti


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb Ni O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


sg2:
Cmmm #65
Cmmm #65
Cmmm #65


crystal_class_orig: tetragonal-scalenoidal


species: Fe O W


species: Ca Mn O


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: ditrigonal-pyramidal


species: Ca Cr O


species: Fe O Ti


species: Mn O Ti


species: Mn O Sn

species_pp: Mn_pv O Sn

crystal_class: dihexagonal-dipyramidal


species: O Sn Zr


species: Mn O Sc

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Cl Li Tl

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: a b

Wyckoff_letters: e e e e


species: Mg O W


species: O Sc Sn

species_pp: O Sc_sv Sn


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Cr Mn O

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: Nb O Ti

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ca O Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Bi O Ti

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i i


species: Fe Ni O


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr O Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe O Zr

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


crystal_class_orig: hexagonal-trapezoidal


species: Ca O V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe O V

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Fe O Sr


species: O Sn Zr

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Co O W

species_pp: Co O W_pv


species: Mg Nb O


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a f

Wyckoff_letters: e e

Wyckoff_letters: a f


species: O Ti V

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Co O Ti

species_pp: Co O Ti_sv


species: Ni O W


species: Mn O Ti


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Fe Mn O


species: Hg O Tc

species_pp: Hg O Tc_pv


species: Cr O Sr

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ca O Zn

species_pp: Ca_sv O Zn


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Co O V

species_pp: Co O V_sv


species: Co Ni O

species_pp: Co Ni_pv O


species: Mn Nb O


species: O W Zn

species_pp: O W_pv Zn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: Cd O Ti

species_pp: Cd O Ti_sv

crystal_class: tetragonal-scalenoidal


Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: a b i

Wyckoff_letters: i i i i i

Wyckoff_letters: a b i


species: Mg S Zn

species_pp: Mg_pv S Zn


species: Cu O Zr

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i


species: Mn Ni O

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Al Cl Cu

species_pp: Al Cl Cu_pv


species: Ca Cr O

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: c h

Wyckoff_letters: b d

Wyckoff_letters: c h


species: Cd Co O

species_pp: Cd Co O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b d

crystal_class: rhombohedral

Wyckoff_letters: a b d


species: Ca Nb O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mg Nb O

Wyckoff_letters_orig: e e


species: Mn O W

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb O Sr

Wyckoff_letters_orig: i i i


species: Pb Se Sn

species_pp: Pb_d Se Sn

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ni O W


species: Mn O Ti


species: Ca O W


species: Nb Ni O

crystal_class: orthorhombic-bipyramidal


species: Cr O Sr


species: Ca O Sc


species: Cr O Zr

Wyckoff_letters_orig: i i j


species: Fe O Sc


species: Ca Mn O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe Nb O

crystal_class_orig: dihexagonal-dipyramidal


species: Cd O Zn

species_pp: Cd O Zn

crystal_class_orig: ditrigonal-scalahedral


species: Cr Mn O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Co Mn O

species_pp: Co Mn_pv O

crystal_class_orig: monoclinic-prismatic


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Co Cr O

species_pp: Co Cr_pv O

crystal_class_orig: tetrahedral


species: Cd O W

species_pp: Cd O W_pv

sg:
Cmcm #63
Ama2 #40
Pm #6


species: Br Li Sr

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: i h


species: Mg S Sn

species_pp: Mg_pv S Sn

Wyckoff_letters_orig: d d f g

Wyckoff_letters_orig: a d

Wyckoff_letters: d d f g

Wyckoff_letters: a d


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca O W

Wyckoff_letters: i i i


species: O V Zn

species_pp: O V_sv Zn


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: a e


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a f

Wyckoff_letters: c f

Wyckoff_letters: e e


species: Bi O Ti

crystal_class_orig: diploidal

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: f h

crystal_class: diploidal

Wyckoff_letters: b e

Wyckoff_letters: f h


species: Ni O W


species: Cr O Sc


species: F Hg Sc

species_pp: F Hg Sc_sv

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b a a c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a a c


species: Mn O Sc

sg:
Ibam #72
Ibam #72
I4/mcm #140

sg2:
Ibam #72
Ibam #72
I4/mcm #140

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: ditetragonal-dipyramidal


species: Nb O Ti


species: Mg Mn O

crystal_class_orig: ditetragonal-pyramidal


species: Ge Se Zn

species_pp: Ge_h Se Zn

sg:
Cmce #64
Cmce #64
Fmmm #69

sg2:
Cmce #64
Cmce #64
Fmmm #69

Wyckoff_letters: a g

Wyckoff_letters: g g h o

Wyckoff_letters: g g


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: c c c c

Wyckoff_letters: i i i i


species: Co O Se

species_pp: Co O Se

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a c c c d

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a c c c d

Wyckoff_letters: b c


species: Cr O Sr

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Fe O Sc

crystal_class: orthorhombic-pyramidal


species: S Sn Zn

species_pp: S Sn Zn

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Co Mn O


sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Mn Ni O


species: O Zn Zr

species_pp: O Zn Zr_sv

crystal_class: tetrahedral


species: Fe O Ti

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

crystal_class: ditrigonal-pyramidal


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e


species: Ni O Zr


species: Mn Nb O

Wyckoff_letters_orig: c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c


species: Cr Nb O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Cr Mg O

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: a c i i i


species: Co O Zn

species_pp: Co O Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Mg Te Zn

species_pp: Mg_pv Te Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: O Sr Zn

species_pp: O Sr_sv Zn

Wyckoff_letters_orig: a a

Wyckoff_letters: b a


species: Mg O W


species: O Sc Zr


species: Mn O V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Sc Ti

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g


species: I O Pb

species_pp: I O Pb_d

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: a d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a d


species: Cr O Sn

species_pp: Cr_pv O Sn


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: Ca Fe O

sg:
Pm #6
Pm #6
Pm #6

sg2:
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_site_symmetries_orig: m m m m 1 1

crystal_class: monoclinic-domatic

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: Co O Sr

species_pp: Co O Sr_sv


species: Cr Ni O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a

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


species: Mg O Sr

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: d h


species: Ca I Li

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: K O Ta

Wyckoff_letters_orig: f f

Wyckoff_letters: i e

aflow_prototype_params_list_relax: a b/a c/a beta x4 z4


species: Na Nb O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Cs I Mg

crystal_class: dihexagonal-dipyramidal


species: I Li Nb

Wyckoff_letters: e e e e


species: I Mg Rb

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a b b b

Wyckoff_letters: a a b b b


species: K Nb O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ca O Pb

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: I Na Nb

Wyckoff_letters_orig: a b i i i i

Wyckoff_letters_orig: e i

Wyckoff_letters: a d i i i i

Wyckoff_letters: i i

Wyckoff_letters: c i


species: Mg Mn O


species: Ce Mg Sn

species_pp: Ce Mg_pv Sn


species: Dy Mo O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: i i j j

Wyckoff_letters: a i i

Wyckoff_letters: i i j j


species: Lu Pb S

species_pp: Lu Pb_d S

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c


species: Mg O Ta

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Ca Cl Cs

sg:
Pnma #62
P4/mbm #127
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Na O Pb

Wyckoff_letters_orig: a a c

Wyckoff_letters: e h


species: Cl Mg Rb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Mg Na

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: K O Pb

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: e e f f

Wyckoff_letters: c a g


species: Li Na O

crystal_class_orig: tetragonal-scalenoidal


species: Nb O Pb

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: a c b

crystal_class: trigonal-pyramidal

Wyckoff_letters: d d

Wyckoff_letters: d d d d d d

Wyckoff_letters: a c b


Wyckoff_letters_orig: c f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f


species: Nb O Rb

sg:
Pnma #62
Pnma #62
Pnma #62


species: Ca Fe O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i i


species: I K Mg

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: a c

Wyckoff_letters: d h

Wyckoff_letters: b c

Wyckoff_letters: a c


species: Li Nb O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: K O V


species: Eu O Zn

species_pp: Eu O Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Pr Ti

species_pp: O Pr Ti_sv

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c


species: F Nb Rb

Wyckoff_letters_orig: a e g

Wyckoff_letters_orig: b e

Wyckoff_letters: a e g

Wyckoff_letters: b e


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c g

Wyckoff_letters: a h

Wyckoff_letters: d g


species: Eu O V

species_pp: Eu O V_sv

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: b k

Wyckoff_letters_orig: f j j j j j k k

Wyckoff_letters_orig: e j j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: b k

Wyckoff_letters: f j j j j j k k

Wyckoff_letters: e j j


species: O Tb V

Wyckoff_letters_orig: a g g

Wyckoff_letters: a g g


Wyckoff_letters_orig: a b d


species: Er Mn O

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: c g


species: Ni O Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Co Ni O

species_pp: Co Ni_pv O

sg:
Cccm #66
Cccm #66
Cccm #66

sg2:
Cccm #66
Cccm #66
Cccm #66

Wyckoff_letters_orig: k l

Wyckoff_letters: k l


species: Ce O V

species_pp: Ce O V_sv

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: c c c

crystal_class: hexagonal-pyramidal

Wyckoff_letters: c c c


species: Cr O V

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: c g h

Wyckoff_letters: i j

Wyckoff_letters: d g h


species: Nb O Ti

crystal_class_orig: ditrigonal-scalahedral

crystal_class: hexoctahedral


species: O Sr Zn

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: d a


species: O Sc W

sg:
Cccm #66
Cmmm #65
Cmmm #65

sg2:
Cccm #66
Cmmm #65
Cmmm #65

Wyckoff_letters: e h


species: S Sn Zn

species_pp: S Sn Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Br Cu Sr

crystal_class: ditetragonal-dipyramidal


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Br Ga Na

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k

Wyckoff_letters: b f


species: O Ti Y


species: Cd Ni O

species_pp: Cd Ni_pv O

sg:
Immm #71
Immm #71
Immm #71

crystal_class_orig: orthorhombic-bipyramidal


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Fe Ni O

Wyckoff_letters_orig: c d


species: Fe O Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr Fe O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: b b c c

Wyckoff_letters_orig: b c c c c c

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: b h

Wyckoff_letters: f i

Wyckoff_letters: c g i i


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Cl Mn Zn

species_pp: Cl Mn_pv Zn

Wyckoff_letters_orig: c c c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c c c


species: O Ti W


species: Fe O Sr

Wyckoff_letters_orig: a b f f k

Wyckoff_letters_orig: e f h k k

Wyckoff_letters: a b f f k

Wyckoff_letters: e f h k k


species: Mg O Sr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Cr O V


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: d g

Wyckoff_letters: a e

Wyckoff_letters: d g


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-prismatic

Wyckoff_letters: c i i

Wyckoff_letters: b i i


species: Ni O Zr

crystal_class_orig: hexagonal-trapezoidal


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Fe O Zr


species: Cr O Zr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: b c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: b c c c


species: Ni O W


species: Fe O Zn

species_pp: Fe_pv O Zn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: f e

Wyckoff_letters: f f


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: a c c c c

Wyckoff_letters_orig: a b c

Wyckoff_letters: a c c c c

Wyckoff_letters: a b c


species: Ca O V

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Mn Nb O

Wyckoff_letters_orig: a b


species: Cr Mg O

crystal_class_orig: ditetragonal-dipyramidal


species: Cd Ni O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Nb O Zr

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c h p

Wyckoff_letters: a f

Wyckoff_letters: c h p


species: Co O V

species_pp: Co O V_sv

crystal_class: ditrigonal-scalahedral


species: Ca O Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Fe O

species_pp: Co Fe_pv O

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

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Zn Zr

species_pp: O Zn Zr_sv


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Ni O Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe O Sn

species_pp: Fe_pv O Sn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a

aflow_prototype_params_list_relax: a c/a x2


species: Ca O Ti


species: Cr Mn O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ca O Sr

Wyckoff_letters_orig: h g i

Wyckoff_letters: h g i


species: Cr O W


species: Mg O W


species: O Ti W

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ni O V

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: O Sr W

sg:
Pmmn #59
Imm2 #44
Pmmn #59

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca O Sn

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: e e e

Wyckoff_letters: d c d


species: Mg O Sr

Wyckoff_letters: a b


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: b a


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: g g g h

Wyckoff_letters: e g

Wyckoff_letters: g g g h


crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Pb S Sn

species_pp: Pb_d S Sn

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c d


species: Ca Mn O

crystal_class_orig: ditetragonal-pyramidal


species: Co Nb O

species_pp: Co Nb_sv O


species: Fe O Sc


species: Mn O V


species: Ca Cr O


species: Bi O Ti

Wyckoff_letters: c d


species: Cd O Zn

species_pp: Cd O Zn


species: Bi Cs I

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: j k

Wyckoff_letters: j k


species: Cd Mn O

species_pp: Cd Mn_pv O


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: c k

Wyckoff_letters: k l

Wyckoff_letters: c k


species: Ni O Zn

species_pp: Ni_pv O Zn


sg2:
Immm #71
Immm #71
Immm #71


species: Cl Rb Tl


species: Ca O Sn


species: Co O Zn

species_pp: Co O Zn


species: Mg Mn O


species: Co Mg O

species_pp: Co Mg_pv O


species: Mg O Zr


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sr Zr

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a


species: Mg Nb O

Wyckoff_letters_orig: a b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b b


species: Ca Fe O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a

Wyckoff_letters: a a a a a a a


species: Ca O Zr

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: g h

Wyckoff_letters: a f

Wyckoff_letters: g h


species: O Sc V

sg:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Br Sc Tl

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: b f

Wyckoff_letters: e l

Wyckoff_letters: b f


species: Ca O Sc


species: Ca Co O

species_pp: Ca_sv Co O


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd Mn O


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe O Sr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Pb Sn Te

species_pp: Pb_d Sn Te

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c d

Wyckoff_letters: a c

Wyckoff_letters: c c d


species: Cd O Sc

species_pp: Cd O Sc_sv

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

aflow_prototype_params_list_relax: a b/a c/a


sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: O Zn Zr

species_pp: O Zn Zr_sv

crystal_class_orig: ditrigonal-scalahedral


species: N O S

species_pp: N O S

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Nb O Ti

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: c f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f


species: Mg O W

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mn O Sc


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters: a a


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ni O W

Wyckoff_letters_orig: a a


species: Mn O Ti

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a b c c


species: O Sc Zr


species: Mn O Zn

species_pp: Mn_pv O Zn


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: d i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: d i


species: Hg O Rh

species_pp: Hg O Rh_pv

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a

Wyckoff_letters: a a a a


species: Co Mn O

species_pp: Co Mn_pv O

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

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: f f


species: O Ti W

Wyckoff_letters_orig: a c g e f h

Wyckoff_letters: a c f g e j h i


species: Fe Ni O


species: O Sc W


species: Cr O V

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: F S Y

species_pp: F S Y_sv

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a b d

Wyckoff_letters: c d

Wyckoff_letters: d d

Wyckoff_letters: a b d


species: Co O Sn

species_pp: Co O Sn


species: Fe Mn O

crystal_class_orig: monoclinic-sphenoidal


species: O Sr W

crystal_class_orig: monoclinic-domatic


species: Ge Te Zn

species_pp: Ge_h Te Zn

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Nb O Ti

Wyckoff_letters_orig: c a

Wyckoff_letters: a c


species: O Sc V

crystal_class: dihexagonal-dipyramidal


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb O Zn

species_pp: Nb_sv O Zn


species: Cl Mn Rb

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: e g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: f j


Wyckoff_letters_orig: c g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c g


species: Cr O Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Mg O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cr Nb O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe O Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Co O Sr

species_pp: Co O Sr_sv

sg2:
P1 #1
Fddd #70
Fddd #70

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a


species: Cl K Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k

Wyckoff_letters: b f


species: Nb O Pb


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i

Wyckoff_letters: a i


species: Nb O W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Ti Zr

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe Ni O


species: Cr Mn O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca Co O

species_pp: Ca_sv Co O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


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

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Al Si Yb

species_pp: Al Si Yb


species: Cr O V

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Eu S Sn

species_pp: Eu S Sn

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Co Fe O

species_pp: Co Fe_pv O

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: O Sc Sn

species_pp: O Sc_sv Sn


species: Mg O Sr


species: O Ti W

Wyckoff_letters_orig: c a

Wyckoff_letters: a c


species: Cr Ni O


species: Co Mn O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Al F Li

species_pp: Al F Li_sv

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Nb O Sr

Wyckoff_letters_orig: d g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: d g


species: Co Cr O

species_pp: Co Cr_pv O

crystal_class: ditrigonal-scalahedral


species: Mg Pb Te

Wyckoff_letters_orig: a e


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: i i j


species: Mn O W

Wyckoff_letters_orig: e f f f

Wyckoff_letters: e f f f


species: Mn O Zn

species_pp: Mn_pv O Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: c h p

Wyckoff_letters: c h p


Wyckoff_letters_orig: b f


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g

Wyckoff_letters: b g g


species: Ca Ni O


species: O Sr Ti


species: Fe Nb O


species: Co O Ti

species_pp: Co O Ti_sv

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: b d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b d