species: O V

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

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

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

crystal_class: monoclinic-domatic

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


species: Mn O

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: BCT

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: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: F Fe

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e e

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m m m

Wyckoff_site_symmetries: m m


species: F V

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: trigonal

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

point_group_structure_orig: dihedral

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: e g

Wyckoff_letters_orig: b d

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic

point_group_structure: dihedral

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: e g

Wyckoff_letters: b d


species: I Tc

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

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


species: As Nb

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters_orig: c c c c c c c c c c

Wyckoff_letters: c c c c c c

Wyckoff_letters: c c c c c c c c c c


species: Cd Zn

species_pp: Cd Zn

sg:
Pnnm #58
Immm #71
I4/mmm #139

sg2:
Pnnm #58
Immm #71
Immm #71

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

aflow_prototype_params_list_relax: a b/a c/a x2


species: Br Pb

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: a b i

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: a b i


species: Co O

species_pp: Co O

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

lattice_system_orig: cubic

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: diploidal

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

crystal_family: cubic

crystal_system: cubic

crystal_class: diploidal

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Li O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: Ag Cd

species_pp: Ag Cd

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Li Ni

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ru Zn

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Pb Te

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Wyckoff_letters_orig: a b

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: Co Ru

Bravais_superlattice_lattice_type_orig: BCT


species: O Zn

species_pp: O Zn

crystal_class_orig: tetragonal-trapezoidal

aflow_prototype_params_list_relax: a c/a x2


species: Li Mn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Ca F

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c


species: Nb O


species: Hf Si

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b b

Wyckoff_letters: b b


species: I V

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: c d d

Wyckoff_letters: d d d d d d

Wyckoff_letters: c d d


species: Fe O

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: h i

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: h i


species: Cr O

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

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

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


species: Co Nb


species: Fe Li

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: F Mg

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Cr Os

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: C Ca

crystal_class_orig: hexoctahedral


species: Ca Cr


species: Cu Hg

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: c f

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: c f


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: d g


species: Mo Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Hg La

species_pp: Hg La

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Au Y

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters: c e d


species: O W

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: P Ta

Wyckoff_letters_orig: i j j

Wyckoff_letters: i j j


species: Cr Li


species: O Ru

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K Se

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Wyckoff_letters: a a

Wyckoff_letters: a b


species: F Zn

species_pp: F Zn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Co Fe

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: O Tm

species_pp: O Tm


species: Ni W


species: F Ni


species: Cu O


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h i

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h i


species: Cr O

crystal_class_orig: monoclinic-prismatic

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

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

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

Wyckoff_letters: e e e


species: Bi Cs

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Mg

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: f g i

Wyckoff_letters: f g i


species: Au Si

species_pp: Au Si


species: Al F

species_pp: Al F

Wyckoff_letters_orig: c c d i

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters: c c d i

Wyckoff_letters: c c f h i j k


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m m


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Au Ga


species: Ca F

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Ca V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Au Nd

species_pp: Au Nd

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: I Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn O


species: Nb Ni


species: Mo Pd

Wyckoff_letters_orig: c d e

point_group_Schoenflies: T

point_group_structure: alternating

Wyckoff_letters: c d e


species: I Ni

aflow_prototype_params_list_orig: a c/a x2


species: S Zn

species_pp: S Zn

crystal_class_orig: trigonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Pb Se


species: O W

sg:
Pmmn #59
Cmmm #65
Cmmm #65

sg2:
Pmmn #59
Pmmn #59
Cmmm #65

Wyckoff_letters: h g


species: Pt Rh

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


Bravais_lattice_orig: MCLC

Bravais_lattice_relax: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_type: MCLC

Bravais_superlattice_lattice_type: MCLC

reciprocal_lattice_type: MCLC

aflow_prototype_params_list_orig: a b/a c/a beta x2 z2

aflow_prototype_params_list_relax: a b/a c/a beta x2 z2


species: Cr Tc


species: Fe Zr


species: Li O


species: Ni Ta


species: O Zr

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

aflow_prototype_params_list_orig: a b/a c/a x2


species: Nb Zr


species: O Zn

sg:
Pnma #62
Pnma #62
Cmcm #63


species: Co Mg


species: Fe O

Wyckoff_letters_orig: a b f f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a b f f

Wyckoff_letters: e f f


species: Ca Si


species: F Li


species: Er Ni

Bravais_lattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: g i j j

Wyckoff_letters: a i

Wyckoff_letters: g i j j


species: H S

species_pp: H S

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a b b

Wyckoff_letters: a a a a


species: O Si

species_pp: O Si


species: I Ti

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d


species: Ca Mn

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: O Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca Tc

crystal_class_orig: diploidal

crystal_class: diploidal


species: S V

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Hg Zn

species_pp: Hg Zn


species: Cd O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: hexoctahedral


species: Mn O


species: Co Rh


species: Cd Cr


species: Cr Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu O

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

reciprocal_lattice_type_orig: ORCF

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI


species: Cr V

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: I Zn

species_pp: I Zn


species: O Zn


species: Sn Te

species_pp: Sn Te


species: O Ti

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Tc Zn

Wyckoff_letters_orig: a c


species: La Zn

species_pp: La Zn


species: O Tb

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: O Rh


species: Fe O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e


species: Nb O

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: Fe Pt


species: F Mn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a


species: Li O

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Mg Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Li

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Cr K

crystal_class_orig: hexoctahedral

Wyckoff_letters: a c


species: Br Cr


species: I Mn


species: Sc W

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: F Sr


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c


species: O Re


species: I V

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Cr F

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: O Si


species: O Pb


species: Er O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mo Y


species: Ni Ti

crystal_class: ditrigonal-scalahedral


species: Co Mg


species: I W

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Au Cr

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: O Os

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b c


species: Ru Y

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Mn


species: Cr Mg


species: Hf Ta


species: O Ta

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Cu


species: Cr Ni


species: Cr Zn

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Mn V


species: Mn W


species: Ni Zn


Wyckoff_letters_orig: c i

Wyckoff_letters: d i

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

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


species: Co Mo


species: Co W


sg2:
Pmmn #59
Pmmn #59
P4/nmm #129


species: Cr Mn


species: Cr Mo

reciprocal_lattice_type: ORCF


species: Cr Ti


species: Cu Fe

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Mn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Fe Ti

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a c


species: Fe Zn


species: Ni Ti


species: Ti W


species: V W


species: W Zn


species: F Pb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Hg Mg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg S

species_pp: Hg S


species: Hg Rb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg Se

species_pp: Hg Se


species: Hg Yb

species_pp: Hg Yb


species: Ca Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: K Rb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg Rb


species: Mg Ta


species: Nb Pb


species: Hg Li


species: Cl K

crystal_class_orig: orthorhombic-pyramidal


Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i i

Wyckoff_letters: c b


species: O Pb

Wyckoff_letters: g h


species: Ca Cl

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Ce O

species_pp: Ce O


species: Pr Zn

species_pp: Pr Zn


species: Cu Dy


species: Cl Nb


species: F Pb

Wyckoff_letters_orig: c d d d d

Wyckoff_letters_orig: a c d

Wyckoff_letters: c d d d d

Wyckoff_letters: a c d


species: Cl Mg


species: Er Zn

Egap_DOS_type: metal


species: Ho V

Wyckoff_letters: a d


species: Nd V

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Tb Ti

Wyckoff_letters_orig: a c


species: Tb V


species: Al I

species_pp: Al I

Egap_DOS_type: insulator

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Ba I


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: I Si

species_pp: I Si

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Ag Ta

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b f


species: Ni Ta

crystal_class: tetragonal-dipyramidal


species: Sc Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: W Zr

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ag Os


species: Hf Ti


species: Pt Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Y Zr


species: Cd Pd

Wyckoff_letters_orig: a d


species: Hg Zr


species: Pd Ta


species: Pt Zn

species_pp: Pt Zn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Ru W


species: Co Ru


species: Cr Os


species: Cu Nb


species: Re Tc

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: La Ru


species: W Y

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Co Sm


species: Hg Os

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mo Nb

Wyckoff_letters_orig: c i


species: Os Zr

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Al O

species_pp: Al O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i


species: Cd W


species: Ru Ti


species: Hf Ir


species: Cd Rh


species: Ca I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: a c e

Wyckoff_letters: h i


species: Co I

species_pp: Co I

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e


species: Cr I

Egap_DOS_type: half-metal

crystal_class_orig: trigonal-trapezoidal


species: I Li

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b

Wyckoff_letters: c c

Wyckoff_letters: a b b


Wyckoff_letters_orig: g l

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g l


species: I Mg


crystal_class_orig: tetragonal-trapezoidal


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Be I


species: Ag I

species_pp: Ag I


crystal_class: tetragonal-trapezoidal


species: I Sn


species: I Pb

Wyckoff_letters_orig: a a

crystal_class: dihexagonal-pyramidal


species: Au Fe

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c

Wyckoff_letters: a b d


species: Co Hg

species_pp: Co Hg


species: Fe Pd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: V Yb

Wyckoff_letters: c d e


species: Cu I


Wyckoff_letters_orig: e e


sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: I Zn

species_pp: I Zn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


crystal_class: orthorhombic-sphenoidal


crystal_class_orig: dihexagonal-dipyramidal


species: I Sr


species: Hf Mn

crystal_class: hexoctahedral


species: Hg Tc


species: Nb Zr


species: Pt Zn


species: Ag Rh


species: Fe Sc

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Rh W


species: Ta Zr


species: Hf La

Wyckoff_letters: e e


species: Mo Tc

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: O Ti

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

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

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

crystal_class: trigonal-pyramidal

Wyckoff_letters: d d d d d d d d d d d d

Wyckoff_letters: d d d d d d


species: Nb Os


species: Ir Pt

species_pp: Ir Pt


species: Rh Zn

crystal_class_orig: tetragonal-dipyramidal


species: Cd Nb


species: Cd Sc


species: Hg Ru


species: Nb Ni


species: W Y

crystal_class_orig: hexoctahedral


species: Cd Ru


species: Hf Ta


species: Hf W

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Mo Ta


species: Au Ru


species: Hf Mo


species: Ta V


species: Ag Zn

species_pp: Ag Zn


species: Nd Tb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cd Cr


species: Cd Pt

species_pp: Cd Pt


species: Fe Nb


species: Ba S


species: Ag Cd

species_pp: Ag Cd


species: Pt Zr


species: Ba Si


species: Mo Te

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd Cs


species: La Ta

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cu I


species: Nb Ti


species: Cd La

species_pp: Cd La

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: B O


species: La Mn


species: Ca V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Sc Zr


species: La Pd


species: Bi O


species: Ag Hg

species_pp: Ag Hg


species: I V

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: c f

Wyckoff_letters: a c f

Wyckoff_letters: c f


species: Ca Fe

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Li Ni


species: Cr O

crystal_class_orig: orthorhombic-sphenoidal


species: I Tc


species: Fe O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Rh Ru


species: Ta V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ge Se

crystal_class_orig: ditetragonal-dipyramidal


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ba Cu

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: Ca Li

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Cd Os


species: Ir Ti


species: La Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: S Sn

species_pp: S Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Mn Zr


species: F Ni


species: I Ti

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


crystal_class_orig: orthorhombic-bipyramidal


species: O S

species_pp: O S


Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: d a


Wyckoff_letters_orig: b c


species: Bi Sn

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: F Mn

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: c a


species: Hf Pt


species: Mg O

Wyckoff_letters_orig: c d


species: O Tl

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: a g

Wyckoff_letters: g g g

Wyckoff_letters: a g


species: Pb S

Wyckoff_letters_orig: c c


species: Pd S

crystal_class_orig: tetragonal-scalenoidal


species: Ni Tc


species: Ca Fe


species: Ca O

crystal_class_orig: diploidal

crystal_class: diploidal


species: Au Os


species: Br Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr F

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: I Nb

Wyckoff_letters_orig: a a a b

Wyckoff_letters: a a a b


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co Y

sg:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cu Li


species: O Sc


species: Al Re

Wyckoff_letters_orig: e f g

Wyckoff_letters: e f g


species: O Pr

species_pp: O Pr

crystal_class: ditetragonal-dipyramidal


species: Ca Ni


species: Cd F

species_pp: Cd F


species: K Mg

Wyckoff_letters_orig: a h


species: H S

species_pp: H S

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: O Tm

species_pp: O Tm


species: Cu O


species: Co Mn


species: I Tc


species: O Pd


species: Ce Ir

species_pp: Ce Ir

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I V


species: Cd Tc


species: Ta Te

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Nb Pt

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ho O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pb Se


species: La Zr

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr O

Wyckoff_letters_orig: c f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f


species: Mg O

Wyckoff_letters_orig: e e


species: Pb S


species: Mn O

sg:
Pbcn #60
Pbcn #60
Cmcm #63

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Pt Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: S Sn


species: Bi Ti

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mo O


species: Au Ru


species: Cd Cs


species: Co K


species: O Ti

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i

Wyckoff_letters: d i i i

Wyckoff_site_symmetries: 2/m m m m


species: Cr Mn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd O

Wyckoff_letters_orig: a a


species: Ca O

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


species: Li Mn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Nb O


species: Pd Re


species: Cr O

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b b b b b

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a b b b b b b

Wyckoff_letters: a a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m m


species: Li Tc


sg:
Pbcm #57
Pbcm #57
Pmma #51

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Lu Te

species_pp: Lu Te

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: f h

Wyckoff_letters: e e

Wyckoff_letters: f h


species: Ca Mg

Wyckoff_letters_orig: a h


sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: O W

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f f f f f f

Wyckoff_letters_orig: a b c c c d e f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f f f f f f

Wyckoff_letters: a b c c c d e f f f


species: Au Be


species: Ni Ta


species: Cr Mg


species: Ca Cr

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Hf V


species: Li Mg

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Hg Pt

species_pp: Hg Pt


species: O Re

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Fe O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Ta


species: Fe K


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ge Se


species: Fe Hg

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Cd O

crystal_class_orig: trigonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: F Ni

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Ru W

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ge S

sg:
Pbcn #60
Pbcn #60
Ibam #72

sg2:
Pbcn #60
Pbcn #60
Ibam #72


species: Fe Zr

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb Si


species: Ca O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: Cd Os


species: Li Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: C Dy


species: Ca Li

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Au La

species_pp: Au La

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c c


species: Hf O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Nb O

Wyckoff_letters_orig: f f f f f f

Wyckoff_letters_orig: c c c f f f f f f f f f f f f f

Wyckoff_letters: f f f f f f

Wyckoff_letters: c c c f f f f f f f f f f f f f


species: Cu Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ni W


species: Co Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Mo

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Cr Cu

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cr Mn


species: Cr Ni


crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cu Mn


species: Cu Mo

crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cu W


species: Mn Ni

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mo W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ti V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Fe


species: Co Ni

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co V


species: Co W

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Cu Ti


species: Cu V


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe Mn

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Fe W


species: Mn W


species: Ni V


species: Ni W


crystal_class: diploidal


species: Cs Mg

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg In


species: Hg K


species: Hg Mg

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Se

species_pp: Hg Se


species: Ca Rb


species: Mg Rb


species: Pb Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Li


sg2:
Pnnm #58
Immm #71
Immm #71


species: Ca F


species: Cl Nb

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a


species: F Pb

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


species: O Pm

species_pp: O Pm


species: Nd Zn

species_pp: Nd Zn


species: Ti Yb

crystal_class: ditetragonal-dipyramidal


species: Mn Nd


species: Pr Ti

Wyckoff_letters_orig: a h


species: I Ta

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cl Pb


species: Ce Cu


species: Ce V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Co Nd

species_pp: Co Nd


species: Co Sm

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Dy Zn

Wyckoff_letters: a h


species: Er Gd


species: Er Mn


species: Gd Sm


species: Ho Zn


species: Mn Pm


species: Cr I

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a


species: I Ni


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Au Re


species: Co Nb

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Fe Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Rb S

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

Wyckoff_letters: f g

Wyckoff_letters: e h


species: Cu Sc


species: Hf Nb


species: Hg La

species_pp: Hg La

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: La Ni

sg2:
Cmmm #65
Cmmm #65
P4/mmm #123

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Cr Re


species: Nb Ta


species: Pt Re


species: Ta W


species: W Y


species: Y Zr


species: La V


species: Hf Ta


species: Hg Ni


species: Hg Ti

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Au Cr


species: Cu Pt


species: Te Zn

species_pp: Te Zn


species: Ag Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Ni


species: Cr Y


species: Ti Zr

Wyckoff_letters_orig: b e j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b e j


species: Au Zr


species: Hf Ti


species: Ca I


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: diploidal


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: i i


species: Co I

species_pp: Co I


Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a


species: Cr I


species: Fe I


species: I K

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: I Li


Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c f

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: I Mg


crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b

Wyckoff_letters: a b


Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Ni


species: Ge I


species: I Rb


species: I Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: a a


Wyckoff_letters_orig: i j j j k k

Wyckoff_letters: i j j j k k


species: Ag I

species_pp: Ag I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b b

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b

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


species: I In

Wyckoff_letters_orig: g i i

Wyckoff_site_symmetries_orig: 2 m m

Wyckoff_letters: g i i

Wyckoff_site_symmetries: 2 m m


species: I Sb

species_pp: I Sb


species: I Pb

sg:
Pmna #53
Cmmm #65
Cmmm #65

sg2:
Pmna #53
Pmna #53
Pmna #53

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Ag Mo

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: La Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Al I

species_pp: Al I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ag Ta


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Nb Ru

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cl Mg

Wyckoff_letters_orig: c c


species: Hg W

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ir Os


species: Cd Sc


species: Fe La


species: Hf Tc


species: Mo Ta


species: O Ti

crystal_class_orig: triclinic-pinacoidal

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

Wyckoff_letters_orig: i i i i i i i

crystal_class: triclinic-pinacoidal

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

Wyckoff_letters: i i i i i i i


species: O Tm

crystal_class_orig: hexoctahedral


species: Pd Se


species: Cd Os


species: Hf Ir

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Hg Ti


species: Pt Re

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Hf Mo


species: Nb V


species: Ta Ti


species: Hf Zr


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ir Mn


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cd Nb

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Hg Re

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Pt Sc


species: Ag Ir

species_pp: Ag Ir

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Cd Hf

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


species: Re V

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Co Rh


species: Au Cr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hf Pd


species: Ag Ti


species: Hg Rh

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Pd Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Sn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Sn Ti


species: O W


species: Os V

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cu K

crystal_class_orig: tetragonal-dipyramidal


species: Pb Se


species: O Zr

crystal_class_orig: orthorhombic-sphenoidal


species: O Ti


species: Bi O


species: Cr O

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: Hf N

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: I K


species: Cr Mn


species: O Zn

species_pp: O Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Pt Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Re Ru


species: Se Zn

species_pp: Se Zn

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: c i i

Wyckoff_site_symmetries: 2/m m m


species: F V

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Fe Pt

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Co O

species_pp: Co O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg N


Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cu F


species: F Ti


species: Mn P


species: I Zn

species_pp: I Zn


species: O Ru

crystal_class: hexagonal-trapezoidal


species: Cu Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Te

crystal_class_orig: dihexagonal-pyramidal


Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c d

Wyckoff_letters: a b d

Wyckoff_letters: a c d


species: Co Nb


species: O Ti

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Ni O


species: Pb S

crystal_class_orig: orthorhombic-pyramidal

crystal_class: hexoctahedral


species: F Mn

crystal_class_orig: orthorhombic-bipyramidal


species: I V

Wyckoff_letters_orig: d e

crystal_class: ditrigonal-scalahedral


species: O Zr

crystal_class_orig: diploidal


species: Pb Se


species: Co Zr

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: La Zn

species_pp: La Zn


species: Co O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: a h i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Cu F


species: Cu O


species: Ca O


species: Cs Se

Wyckoff_letters_orig: c c


species: Hg Ir

species_pp: Hg Ir

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Co F

species_pp: Co F

crystal_class_orig: ditrigonal-dipyramidal


species: Ca Fe


species: Ca Cr


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: d i


species: Pr S

species_pp: Pr S


species: F Sr


species: N Tc


species: Co Ta


species: Ca Cu

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ti Zn

sg2:
Pmma #51
Pmma #51
P4/mmm #123


species: Ir Tc

Wyckoff_letters: c c


species: Ge Pd


Wyckoff_letters_orig: a a a c c c

Wyckoff_letters_orig: b b b c c c

Wyckoff_letters: a a a c c c

Wyckoff_letters: b b b c c c


species: F Ga

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a c


species: Pd Sn


species: Mn S


species: Mo Nb

Wyckoff_letters: a c


species: Sc V


species: Mn Se


species: O Pd

Wyckoff_letters: d d


species: Nb O

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: f f f k

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters: f f f k

Wyckoff_letters: c d e f k k


species: Ca Co


species: Mo O


species: F Si

species_pp: F Si

crystal_class_orig: ditrigonal-pyramidal

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

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


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: O Sc


species: Cd Tb


species: Ni O

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 a a a b b b

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

crystal_class: monoclinic-domatic

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

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


species: Fe Mg

crystal_class_orig: ditrigonal-scalahedral


species: Ge S

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: O Ti

Wyckoff_letters_orig: b c d

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c b d

Wyckoff_letters: a a


species: Hg Ru

crystal_class_orig: hexoctahedral


species: Cu O

crystal_class_orig: trigonal-trapezoidal


species: Pb Te


species: F Ti

Wyckoff_letters_orig: g g

crystal_class: monoclinic-prismatic

Wyckoff_letters: g g


species: Eu O

species_pp: Eu O

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: b a


species: Ir Tc

crystal_class: diploidal


species: In S

Wyckoff_letters_orig: c e h

Wyckoff_letters_orig: h h h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c e h

Wyckoff_letters: h h h


species: Ru Ti


species: Cu Mg


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: K O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mn Re


species: Au V


species: F Ni

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Pd Rh

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c c


species: Co Os


species: F V

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j

Wyckoff_letters: g j


species: Cr K


species: As Pb

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: I Mn

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Bi O

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: d d

Wyckoff_letters: c d

Wyckoff_letters: d d


species: I Ti


species: Cu Li

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: O Re

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b a d d

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b d d


species: Ba Cl

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: O Pr

species_pp: O Pr

crystal_class_orig: orthorhombic-bipyramidal


species: Fe Li


species: Fe Ta

crystal_class: dihexagonal-dipyramidal


species: Ca Ni

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: K Li


species: Ir O

sg:
Ibam #72
Ibam #72
Cmmm #65

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cs Pb


species: Gd Se

species_pp: Gd Se


species: I V

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f

Wyckoff_letters: a c


species: Se Zn


species: C N

species_pp: C N


species: In S

crystal_class_orig: diploidal

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Pt V


crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: S Sn

species_pp: S Sn


species: O Tb


species: Ca Pb


species: O Rb

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Cu Zn


species: Co V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu Mo


species: Cu Ni


species: Mo Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Mo Zn


species: W Zn


species: Co Cu

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Cu

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Mn


species: Cr Mo


species: Cr Zn


species: Cu Mn


species: Cu W


species: Fe W


species: Mn Mo


species: Mn V

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Mn Zn


sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Mo Ni


species: V W


species: F Mg


species: O Pb

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h i

Wyckoff_letters: g h i


species: Cs Mg

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cs Rb


species: K Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Li Ta

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Mg Ta


species: Nb Rb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb Pb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cl Ta


species: F Nb

Wyckoff_letters_orig: a a

Wyckoff_letters: c c


species: F Pb


species: Er Ni

crystal_class_orig: ditrigonal-dipyramidal


species: Co Nd

species_pp: Co Nd


species: Dy Fe


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

Wyckoff_letters_orig: f f f

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

Wyckoff_letters: f f f


sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Dy Ni


species: Pm Pr

species_pp: Pm Pr


species: Co I

species_pp: Co I

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal

aflow_prototype_params_list_orig: a b/a c/a alpha beta gamma x2 y2 z2

aflow_prototype_params_list_relax: a b/a c/a alpha beta gamma x2 y2 z2


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72


species: Hg I

species_pp: Hg I

Wyckoff_letters: a a


species: Fe Hg

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c c


species: Mn Pt


species: Ag W


species: I Tc

Wyckoff_letters_orig: c c


species: Os Tb


species: Re Ti


species: Ag V


species: Cr Re


species: Nb Ta

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: La Nb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Os Re

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Re Zr


species: Ag Ta


species: Co Hg

species_pp: Co Hg


species: Cu Rh

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ir V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Y


species: Hg Pd


species: Co I

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


crystal_class: tetrahedral


species: Cr I

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Fe I

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: d i


species: I Li

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


species: I Mg

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Ni


species: I Zr

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ba I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: Hg I

crystal_class_orig: ditetragonal-dipyramidal


species: Co Y

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: La Sc


species: Mn Re


species: Cu I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: i i i i

crystal_class: monoclinic-prismatic


species: Al I

species_pp: Al I


species: I Sr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ag Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Sc


species: Co Tb


species: Fe Nb

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Rh Ru


species: Au W


species: Au Y


species: Cr Ta


species: Mn Tc


species: Cu Ta


species: La Ta

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Y Zr


species: Co O

species_pp: Co O

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Cu Hg


species: Ir La

species_pp: Ir La

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f


species: S Sc


species: Sr Te

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: c c

Wyckoff_letters: a b c

Wyckoff_letters: c c


species: Ta Zr

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c

Wyckoff_letters: a b d

Wyckoff_letters: a c


species: Ag Hf

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Rh


species: Hf Zn


species: Ag Hg

species_pp: Ag Hg


crystal_class: ditetragonal-dipyramidal


species: Hf Mo


species: Mo Nb

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf W

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Mo Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ag Tc


species: Ag S


species: Cd Co

species_pp: Cd Co


species: Co Ta


species: Hf Os


species: Re Ta

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ag Os


species: Cd Os


species: Hf Nb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Yb

species_pp: Co Yb


species: Co Tc


species: Co Nb


species: Mn O

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: O Re

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: F Sr

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: f f


species: Sc Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Au Cu


species: Ni O


species: C Cu

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sr

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Fe Zr


species: Ge W

Wyckoff_letters_orig: b k

Wyckoff_letters: b k


species: K Mg


species: Co Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Te Zn

species_pp: Te Zn

aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Cd Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sn

species_pp: O Sn

crystal_class_orig: tetragonal-trapezoidal


species: As B

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ag Y


species: C Fe

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Nb Sc


species: Ca Zn


species: N Si

species_pp: N Si

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: c h


species: O Sc

crystal_class_orig: dihexagonal-pyramidal


species: Sc V


species: Cr Mg

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c


species: Li Zn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Hf Rh

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Mg Si

Wyckoff_letters_orig: a d i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a d i i i

Wyckoff_letters: i i i


species: Bi Tb

crystal_class_orig: tetrahedral


species: O Os

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Tc Ti

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: O Pt

species_pp: O Pt


species: Nb Pt

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: W Zr


species: Li O

Wyckoff_letters_orig: a b e

Wyckoff_letters_orig: e e

Wyckoff_letters: a b e

Wyckoff_letters: e e


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Zn

species_pp: O Zn


species: O Sr

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Ca Ga

Wyckoff_letters_orig: e e f f

Wyckoff_letters: e e f f


sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Ni Sc

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i


species: Au Tc


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Ti


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd O

species_pp: Cd 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: Ga N

crystal_class: dihexagonal-pyramidal


species: Mg O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m


species: O Zr

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j

Wyckoff_letters: a i


species: Ni S

crystal_class: dihexagonal-dipyramidal


species: O Pb

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


species: Pb Se


species: Mo O


species: Au Cd

species_pp: Au Cd

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c


species: Cu Mg


species: F Mn

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


species: Gd Mn


species: F Sr


species: La Re


species: Ge H


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: a a a b

Wyckoff_letters_orig: a b b b c c c c

Wyckoff_letters: a a a b

Wyckoff_letters: a b b b c c c c


species: O Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: O V

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Cd Tb


species: Hg Tc


species: Hg Li


species: Pb S


species: Ag Bi

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: O Tc

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: F Sb

species_pp: F Sb


species: Hf V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Mo


species: Ca Li

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: I Ti


species: Ru W

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Li


species: O Os

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Mg S


species: Eu O

species_pp: Eu O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


sg:
Pmmm #47
Pmmm #47
P4/mmm #123

sg2:
Pmmm #47
Pmmm #47
P4/mmm #123


species: Ca Ti

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: La Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb Ti


species: S Sn

species_pp: S Sn

crystal_class: diploidal


species: Fe N


species: Mn O

Wyckoff_letters_orig: d c


species: Ni O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: I Mn

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: B Br


species: O V

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


species: Ga Mn

Wyckoff_letters_orig: e f g

Wyckoff_letters: e f g


Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: a e f f f


species: Ag Ti

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Ca Fe


Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: O Zr


species: Mo O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f h


species: Sc Tc


crystal_class_orig: ditetragonal-dipyramidal


species: Cr Li

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Li Zn


species: Cr Si

crystal_class_orig: hexoctahedral


species: Fe Mg


species: Ca O


species: Mn Rh


Wyckoff_letters_orig: a b

Wyckoff_letters: b a


sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: O Sn


species: Co F

species_pp: Co F

Wyckoff_letters_orig: c c

Wyckoff_letters: a b


species: Ca Ni

sg:
Pnma #62
Pnma #62
Pnma #62


species: K Mg


species: F Hf


species: As Ta

Wyckoff_letters_orig: f f f f f f

Wyckoff_letters: f f f f f f


species: Co Hg

species_pp: Co Hg


species: O Rh


species: Mg S


species: Li Ti


species: F Ti


species: Ca Mg


species: H Li

crystal_class: tetragonal-trapezoidal


species: Fe Li


species: Bi H

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe Mn

crystal_class: ditrigonal-scalahedral


species: Li Ni


species: Cu Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O W


species: O Sn

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: I Ta

Wyckoff_letters_orig: i i i j j j j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j j j j

Wyckoff_letters: g j


species: Ca Fe

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters: c c


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ta


species: Ca Te


species: Mn Zn


species: Mo W

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters: a e


species: Co Cu

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cr Fe


species: Cr Mn


species: Fe Zn


species: Mn Mo


species: Mo Ni

Wyckoff_letters_orig: c f


species: Mo Ti


species: Ni Zn


species: Ti W


species: V Zn

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Co Mn

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Co Mo

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


Wyckoff_letters_orig: a l

Wyckoff_letters: a l


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Ti


species: Cu W

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Fe Ni


species: Fe Ti


species: Mn V

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ni W


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: c c


species: F Pb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Li


species: Hg Rb


species: Hg Ho


species: Hg Mg

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Hg S

species_pp: Hg S


species: Hg Se

species_pp: Hg Se


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Hg Yb

species_pp: Hg Yb


species: Ca Nb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ca Rb


species: Cs Ta

Wyckoff_letters: c d e


species: Li Rb

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


crystal_class: hexoctahedral


species: Nb Pb


species: Hg K

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: c e e e

Wyckoff_letters_orig: d d d d d

Wyckoff_letters: c e e e

Wyckoff_letters: d d d d d


species: Li Nb


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Dy O

crystal_class_orig: rhombohedral


species: Mn Pr


species: Cr Yb


species: Er Pr


species: Eu Ho


species: Gd Zn

species_pp: Gd Zn


species: Nd Sm


species: Ce V


species: Pr Zn

species_pp: Pr Zn


species: O Pb

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a


crystal_class_orig: orthorhombic-bipyramidal

aflow_prototype_params_list_orig: a b/a c/a y2


species: Cr Er

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ce Eu

species_pp: Ce Eu


species: Cu Pr


species: Sm Zn

Wyckoff_letters_orig: c d e


species: Ga I

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Cr I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I In


species: I Rb


species: I Sb

species_pp: I Sb

crystal_class: rhombohedral


species: I Si

species_pp: I Si

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sr

Wyckoff_letters: c c


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e g


species: Ag Mn


species: Cd W


species: Cr S


species: Nb W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Pd Ru

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Tc Zr


species: Ag Rh

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Re Ru


species: Ta V


species: Cd Ta


species: Nb Zr


species: Ta W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: La Tc


species: Co Hg


species: Co Sc

crystal_class: orthorhombic-bipyramidal


species: Hg Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Tc

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Re Rh

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Rh Sc

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cr Y


species: Hf Nb

Wyckoff_letters_orig: c c


species: Ag Ir

species_pp: Ag Ir


species: Pd Ti


species: Ca I


Wyckoff_letters: i i


species: Co I

species_pp: Co I


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr I

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Fe I

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f


species: I K

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b

crystal_class: tetragonal-pyramidal

Wyckoff_letters: b b b b

Wyckoff_letters: b b


species: I Li

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c c


Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: I Mg

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


Wyckoff_letters_orig: b g


species: I Ni


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Be I


species: Ag I

species_pp: Ag I

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a c b

Wyckoff_letters_orig: d d


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: I Sb

crystal_class_orig: dihexagonal-pyramidal


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


crystal_class_orig: triclinic-pinacoidal

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

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

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

Wyckoff_letters: i i i i


species: Hg I

species_pp: Hg I

sg:
Cmcm #63
Cmcm #63
I4/mmm #139


species: I Pb

sg:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c


species: Fe Hf

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Pd Ta


species: Rh Tc


species: Ta Ti


species: Zn Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cu I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: I Zn


species: Cs I


species: Au Co

species_pp: Au Co


species: Bi Sr


species: O Ta

crystal_class_orig: monoclinic-prismatic

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

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_site_symmetries_orig: m m m m m m m m m m m m m m m m m m m m

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

Wyckoff_letters: i i i i i i i i

Wyckoff_site_symmetries: m m m m m m m m m m m m m m m m m m m m


species: Re Ta


species: Ru Zr


species: Ni Re

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Au Y

crystal_class_orig: ditrigonal-scalahedral


species: Ta V


species: Mo S

crystal_class: dihexagonal-pyramidal


species: Au Hf


species: Tc Y

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a d


species: Re V


species: La W


species: Mo Zr


species: Hf Ti


species: Hf V

crystal_class_orig: hexoctahedral


species: Nb W


Wyckoff_letters: a d


species: Ta Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ag Ni

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: a d g h

Wyckoff_letters: a d g h


species: Al C

species_pp: Al C

Wyckoff_letters_orig: a c

Wyckoff_letters: c c


species: Cd Pd


species: Cu Si

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Rh V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ta Ti


species: Au Ti


species: Os Zr

crystal_class: ditrigonal-scalahedral


species: Sc Ta

Wyckoff_letters: a c


species: Ag W


species: O Zn

species_pp: O Zn

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: I Nb


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Fe K


species: O Ti

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c d


species: Co Nb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Li


species: Fe Mg


species: O Rh

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg Te

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Cd Ni


species: Mo Sc

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Hg Pt

species_pp: Hg Pt


species: Au Ir

species_pp: Au Ir

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Hf Zn

crystal_class_orig: diploidal

crystal_class: diploidal


species: Pr Tl

crystal_class: hexoctahedral


species: K Li


species: Ge Se


species: O W

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Mn O


species: O Tb

Wyckoff_letters_orig: b a d d

Wyckoff_letters_orig: c d

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b d d

Wyckoff_letters: c d


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Co F

species_pp: Co F

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ca Fe

crystal_class: ditetragonal-dipyramidal


species: F Tl

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


crystal_class: orthorhombic-bipyramidal


species: Pd Zr


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr K


species: Ta Te


species: Fe O


species: Fe K


species: Tc Zn


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Pd Ru


species: Hg Mn


species: Fe V

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O V


species: Ho Te

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca O


species: Li V

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ca Mn

Wyckoff_letters_orig: a c

crystal_class: dihexagonal-dipyramidal


species: Mg Se


species: O Sc


species: Cu Ti


species: Mn Os


species: Co Ti


species: I Tc

crystal_class: monoclinic-prismatic


species: S Sn

species_pp: S Sn


species: Bi O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: Ca V


species: F Mn


species: K O

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Si Sr


species: Os Se


species: Mg S


species: F V


species: Cr Zr

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Li Mg

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: F Ti


species: Nb Ni


species: Mg O

crystal_class_orig: ditrigonal-pyramidal


species: Fe I


species: Cd O

species_pp: Cd O


species: N Sn

species_pp: N Sn


crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a


species: Nb O

Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: La Os


species: Ca F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Be N


species: Mn O


species: Ga K


species: S Ta

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a d i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a c i i i i i


species: I Tc


species: O Tl

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a


species: F Ni


species: Ag Hf

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ca Ni


crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: O Rh


species: I Nb


species: O Yb

species_pp: O Yb

crystal_class_orig: ditetragonal-dipyramidal


species: Fe O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: c i


species: Cr Si


species: Cl Mo

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ni O

sg2:
Pnma #62
Pnma #62
Cmce #64


species: Cd O

crystal_class_orig: tetragonal-trapezoidal


species: Co Mn

crystal_class_orig: dihexagonal-dipyramidal


species: F Mo

crystal_class_orig: hexoctahedral


species: I V

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: O Os


species: Mn O


species: Nb Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Cr Li

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: O Pb

Wyckoff_letters: i m


species: Ge O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a b c


species: Co La

species_pp: Co La

crystal_class_orig: ditrigonal-dipyramidal


species: O Sn

species_pp: O Sn

sg2:
Pnma #62
Pnma #62
P4/nmm #129

crystal_class_orig: orthorhombic-bipyramidal


species: Li Mn


species: Ir La

species_pp: Ir La

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: I Ti


species: Lu Tl

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca V

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: B Mo

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cd Ru

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: F Ni


species: O V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mo Ti

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Cu O


species: Co Rh

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Ru


species: Ru V


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I V


species: Nb Pd


species: Ti Zn

Wyckoff_letters_orig: h h g f f c a

Wyckoff_letters: h h g f f c a


species: Fe I


species: Ca Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ir Os


species: O Sn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Ca Ti

crystal_class: hexoctahedral


species: Fe N


species: Li Mg


species: Cd Sc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Fe O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li V


species: O Zr


species: Cu K


species: Mn O


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Pt

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: I K


species: Li Sb

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: b e

Wyckoff_letters: c f

Wyckoff_letters: b e


species: Cr Y


species: Hf Rh


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca Pb


species: I Ta


species: O Rb


species: Cr Mo

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Fe Ti


species: Mo Ni


species: Co Cr


species: Co Cu


species: Co Fe

Wyckoff_letters: c d e


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Ti


species: Fe V


species: Fe W


species: Mo W


species: Co W


species: Cr Cu

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr Fe


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cu W


species: Fe Mn


species: Fe Ni


species: Fe Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Ti


species: Ti Zn


species: Cl Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au Hg

species_pp: Au Hg

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg K

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Hg In


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Te

species_pp: Hg Te


Wyckoff_letters: a c


species: Li Ta


species: Hg Li

Wyckoff_letters_orig: a c


species: O Pb

Wyckoff_letters_orig: i i


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Al O

species_pp: Al O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Er O

Wyckoff_letters_orig: e g

Wyckoff_letters: d f


species: Dy V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Yb Zn

species_pp: Yb Zn


species: Cl Ta

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

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


species: Co Gd

species_pp: Co Gd

crystal_class: ditrigonal-dipyramidal


species: Cr Dy


species: Cu Sm

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Dy Pr


species: Er Fe

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Gd Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mn Sm

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nd Tb


species: Sm Zn


species: I Sb

species_pp: I Sb


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cs I


species: I In


species: Hg Ni


species: Ru Ti


species: La Zr


species: Nb W


species: Hf Y


species: Hg La

species_pp: Hg La


species: Mo Ta


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Re Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Zr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Nb Ru


species: Re Ti

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Ir Ta


species: Co Hg

species_pp: Co Hg


species: I V

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cr Y


species: Ag Cd

species_pp: Ag Cd


species: Nb Ta


species: Mn Pd


species: Ca I


crystal_class: ditetragonal-dipyramidal


species: Fe I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I K


species: I Li


crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: I Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: I Ni

Wyckoff_letters_orig: c e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c e


species: Ag I

species_pp: Ag I


species: Ba I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Pb

Wyckoff_letters_orig: a a


Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cu I

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: I Zn

species_pp: I Zn

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Ga I

Wyckoff_letters_orig: c c d i

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters: c c d i

Wyckoff_letters: c c f h i j k


species: I Sr

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Fe Os

crystal_class: tetrahedral


species: Hg O

species_pp: Hg O


species: Ir Ta

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Ru V


species: Au Ni

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd Cu

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Au Fe


species: Bi Cs

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Nb Pt


species: Os Y

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Fe S

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Ir Re


species: Hf V

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Hf Zr

Wyckoff_letters: d i


crystal_class_orig: diploidal

crystal_class: diploidal


species: Yb Zn


species: Co Pt

species_pp: Co Pt


species: Hf Hg


sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ir Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: La Ti

crystal_class_orig: ditrigonal-scalahedral


species: Tc V

crystal_class_orig: ditetragonal-dipyramidal


species: Fe Sc


species: Hf W

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Sc Ta


species: Mo Ta


species: Nb Zr


species: Ta V


species: Mo Nb


species: Nb Ta


species: Nb Ti


species: Nb V


species: Hg Ta


species: Ru Y

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ag Te

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a


species: Cr Tc


species: Cu Er


species: Au Ir

species_pp: Au Ir


species: Pd Tc


species: Cr Os

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Mn

Wyckoff_letters_orig: a e


species: O Rh

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e


species: Cr K


species: O Pd

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a d g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: h h

Wyckoff_letters: a d g


species: Ni Re


species: O V

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a b c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b c c c


species: Cl Zr

crystal_class_orig: dihexagonal-dipyramidal


crystal_class_orig: hexoctahedral


species: Cr O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c d

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b d

Wyckoff_letters: a c d


species: O Sc

crystal_class_orig: orthorhombic-pyramidal

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

Wyckoff_letters_orig: a c c c c c c c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a c c c c c c c c


species: I Nb

Wyckoff_letters: a c k


species: Nb O

Wyckoff_letters_orig: e g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: e g


species: Bi O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Be Cl

crystal_class: ditrigonal-scalahedral


species: I Mn

Wyckoff_letters_orig: c d

crystal_class: hexoctahedral


species: O Tl

Wyckoff_letters_orig: a c


species: Cr Zr


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a b

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a b


species: Fe I


species: Mn O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: I O

species_pp: I O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: a a a a a a a a


species: Ge Te


species: K P


species: Ta V


species: Cu O


species: Pd Re

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Nd Re


species: H Nb

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e e e

Wyckoff_letters: e e


species: O Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ge O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j


species: O Yb

species_pp: O Yb


species: Cu K


species: O Tb

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e


species: Cd Cs

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Mn


species: Fe K

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Fe

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Br Gd

species_pp: Br Gd


species: Mn Sn


species: O Zn

species_pp: O Zn

crystal_class_orig: trigonal-pyramidal


species: Bi O

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Ag Nb

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cr F


species: Ta W


species: Mo O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Ca Mn


species: Fe Li

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ca V

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Li Ti

crystal_class: orthorhombic-bipyramidal


species: F Mn

sg:
Cmcm #63
Cmcm #63
P6/mmm #191

Wyckoff_letters_orig: c f g h

Wyckoff_letters: c f g h


species: Cd N

species_pp: Cd N


species: Co F

species_pp: Co F


species: O Pd

Wyckoff_letters_orig: b a d d

Wyckoff_letters_orig: c d


species: K Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Ti


species: Li Mg


species: Ca Li


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Mg O


species: Cu Li

crystal_class: dihexagonal-dipyramidal


species: Se Zn

species_pp: Se Zn

Wyckoff_letters_orig: a f h

Wyckoff_letters: a f h


species: O Ti


species: Nb O

sg:
Pnma #62
Pnma #62
Pnma #62


species: Cd O

species_pp: Cd O

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: O Zn


species: Gd O

species_pp: Gd O


sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: V W


species: La Sc


species: Ca O

crystal_class: monoclinic-prismatic


species: Co O

species_pp: Co O

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Mn Os

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: As Mo


species: O Sn

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: a e f f f


species: Cu O

Wyckoff_letters_orig: a a


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c c c

Wyckoff_letters: c c c c


species: Cr Fe


species: F Mn

sg:
Pnma #62
Imma #74
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters: e g


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i


species: Co Mg


species: Pb S

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni O

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


species: I Li


species: Mg Te


species: Ge S

Wyckoff_letters: a a


species: Fe I


Wyckoff_letters_orig: e e


species: I Mg


species: O Os

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Ge O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Cu Tc


species: Cr Mg

sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Cs


species: O Sc

crystal_class_orig: trigonal-trapezoidal


species: Pb Se

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: Mo O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a a a a


species: Li Tc

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Ca Li

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


species: Ti Zr

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cl Li


species: Cd O

crystal_class_orig: diploidal


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cu Re

crystal_class_orig: dihexagonal-dipyramidal


species: I Mn

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: O Sn

crystal_class_orig: tetragonal-dipyramidal


species: V Y

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Pb

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: In Sr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ni O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i


species: Ru Ti

Wyckoff_letters_orig: b e


species: C Th

crystal_class: tetrahedral


species: Ce Pb

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Cd W


species: F V

crystal_class: diploidal


species: O Sr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Nb O

Wyckoff_letters_orig: b c e e g

Wyckoff_letters: b c e e g


species: Mn O

crystal_class_orig: hexagonal-trapezoidal


species: Fe Mg


species: Ag Cu


species: La P

species_pp: La P

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e f f f f

Wyckoff_letters: e e f f f f


species: Ca Ni


species: I Tc

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: As Ge

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: O V


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: a b


species: F Zn

crystal_class_orig: tetragonal-trapezoidal


species: Hg Ni

crystal_class_orig: orthorhombic-bipyramidal


species: Co Mg


species: Cl Mn


species: F Mn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ho Pt


species: Li Sb

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c g g g g

Wyckoff_letters: c g g g g


crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

crystal_class: rhombohedral

Wyckoff_letters: a b c


species: Hf La


species: Ca F


species: O Ti

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Pb Te


species: Hf O


species: Mn O


species: O Zn

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: c d e f k k

Wyckoff_letters: f f f k


species: Ni O

Wyckoff_letters_orig: a b c f

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c f


species: Dy O

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ge Se

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Fe I

crystal_class: ditrigonal-scalahedral