species: Bi S

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca Tc

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_type_orig: centrosymmetric

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_type: centrosymmetric

point_group_structure: dihedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Ge Se

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

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

Wyckoff_letters_orig: c c

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

Wyckoff_letters: c c


species: Cu 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: F Fe

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ni Os

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: F S

species_pp: F S

crystal_class_orig: orthorhombic-sphenoidal

point_group_type_orig: enantiomorphic

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

point_group_type: enantiomorphic

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a


species: Cl O

species_pp: Cl O

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: d i k

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

Wyckoff_letters: a c

Wyckoff_letters: d i k


species: Ca V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Mn

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Wyckoff_letters: a e d


species: La S

species_pp: La S

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a


species: Hf Pd

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Rh Ru

Wyckoff_letters_orig: c g

Wyckoff_letters: c g

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Cu Mg

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


species: Fe Li

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: a h

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

Wyckoff_letters: a h


species: Ca Li


sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Li Mn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Mo Y


species: Ir Mo

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd O

species_pp: Cd O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: Li Ni

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: F Tl

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Wyckoff_letters_orig: c c

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET


species: Cl H

species_pp: Cl H

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

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: i i


species: Rh Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Hg

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: Hf Os

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a e


species: Co O

species_pp: Co O

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: c c


species: O Si

species_pp: O Si

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e


species: Ag Mo


species: F Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: I Nb

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


species: Ge Te

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

crystal_class_orig: monoclinic-sphenoidal

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e

Wyckoff_letters: b a e e e


species: Li O


species: Cr O


species: Rh Sc


species: Sn Te

species_pp: Sn Te

sg2:
Ibam #72
Ibam #72
I4/mmm #139

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: j j


species: Ca Li

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET


species: Pd Tl


species: N O

species_pp: N O

Wyckoff_letters_orig: e e f

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: e e f

Wyckoff_site_symmetries: m m

Wyckoff_site_symmetries: m m 1


species: Cd O

Bravais_lattice_orig: ORCC

lattice_variation_orig: 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 a a

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: a a a


species: Ni O


species: I Ti


species: O Rh

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


species: Cu Mg

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: C Mo


species: Mn O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b

Wyckoff_letters: a b c


species: Hg Tc


species: Al Cu

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Mo O


species: Ni Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr K


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Se Sn

species_pp: Se Sn

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: F Mn

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f

Wyckoff_letters: e f


species: Sc V


crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: c c


species: Li V

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Ga Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Fe

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Zn


species: Mg Se


species: Au Y

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


species: F Zn

species_pp: F Zn

Wyckoff_letters: c c


species: Hf Rh


species: Au Cu

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca O

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Ca Tc


species: Au Cd

species_pp: Au Cd


species: S Zn

species_pp: S Zn


species: Mo Pt

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Li Tc

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Li Zn


species: Cr Mg

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Cr Nb


species: Li Ti


species: Co O

crystal_class: ditrigonal-scalahedral


species: Bi O

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


species: F Ni


species: La W


species: Nb O

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: Li Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Mo

Wyckoff_letters: d g


species: Nb Sc

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

crystal_class: orthorhombic-bipyramidal

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

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: Ca O

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: c a b

Wyckoff_letters: a c b


species: Fe Mg

Wyckoff_letters_orig: d g


species: Os V


species: Ag F

species_pp: Ag F

Wyckoff_letters_orig: a b c g i i

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

reciprocal_lattice_type: TRI

Wyckoff_letters: a b d f i i

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


species: O Os

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


species: Cr O


species: Pb S

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m m m


species: O W


species: I Tc

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: h i

Wyckoff_letters: a c e


species: Mn Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Fe Li

Wyckoff_letters_orig: a e


species: Co F

species_pp: Co F

Wyckoff_letters: c c


species: Ga K

Wyckoff_letters_orig: e i

Wyckoff_letters_orig: d e

Wyckoff_letters: e i

Wyckoff_letters: d e


species: Cd Ta

crystal_class_orig: ditrigonal-scalahedral


species: Pb Te

Wyckoff_letters: e e


species: O Sc

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m m m


species: Li Mg


species: Ho Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Y


species: Mn Pd

crystal_class_orig: hexoctahedral


species: O Sr

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b

Wyckoff_letters: a b c


species: Fe O

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e


species: I O

species_pp: I O

Wyckoff_letters_orig: a e i

Wyckoff_letters: a c i


species: I Ta

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ca Pb


species: Mg Nb


species: O Rb


species: Ga Yb


species: Co Cr


species: Co Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Fe


species: Cu Mo

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu V


species: Cu Zn


species: Fe Mn


species: Mo Ti


species: Mo V


species: Co Zn

species_pp: Co Zn


species: Cr Ni


species: Cu Fe


species: Cu Mn


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mn Zn


species: Mo Ni


species: Mo W


species: Ti Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: W Zn


species: O Pb

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c


species: F Mg


species: Hg Yb

species_pp: Hg Yb


species: Hg Ho

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Hg In

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: Hg K


species: Hg Mg


species: Cs F


species: Li Nb


species: Li Rb


species: Li Ta


species: Mg Rb


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mg Ta


species: F Rb


crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b


species: Er Tb


species: Nd Pr

species_pp: Nd Pr


species: Pr Ti

Wyckoff_letters_orig: d e


species: Cu Dy

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cl Nb


species: Cl Ta

Wyckoff_letters_orig: a i i i j j

Wyckoff_letters: a i i i j j

Wyckoff_letters: c i


species: F Nb

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Mn W

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: O Pb

Wyckoff_letters_orig: f f


species: Cr Tb

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Dy Mn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ce Co

species_pp: Ce Co

Egap_DOS_type: metal


species: Ce Cu


species: Co Pm

species_pp: Co Pm


species: Cr Nd


species: Cu Nd


species: Fe Tb


species: Tb V


species: Cr I

Egap_DOS_type: insulator

Wyckoff_letters_orig: c a c a

Wyckoff_letters_orig: c c c c c c c c c

Wyckoff_letters: c a c a

Wyckoff_letters: c c c c c c c c c


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Co I

species_pp: Co I


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hf La

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hf Ta


species: Mn Os


species: Pt Th

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: Cd Co

species_pp: Cd Co

crystal_class: hexoctahedral


species: Hf Mn


species: La Zn

species_pp: La Zn


species: Ti Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Y


species: Fe Ru


species: Gd Tb


species: Rh W


species: As Mn


species: Re Sc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Re

crystal_class_orig: tetragonal-dipyramidal


species: Ir V


species: Y Zr


species: Cd Nb


species: Ga Li


species: Hg Ru


species: Ca I


species: Co I

Wyckoff_letters_orig: f f f f

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a


species: I K

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c f

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: I Li

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c

Wyckoff_letters: n m

Wyckoff_letters: b c


species: I Mg

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


sg:
Pccn #56
Ibam #72
Ibam #72

sg2:
Pccn #56
Pccn #56
Ibam #72

Wyckoff_letters_orig: c e

Wyckoff_letters: a j


crystal_class_orig: diploidal

crystal_class: diploidal


species: Ge I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: I Sb

species_pp: I Sb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: Hg I

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Hf Pt

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Nb Rh

crystal_class: dihexagonal-dipyramidal


species: Rh Y


species: Ru Sc

Wyckoff_letters_orig: c d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d e


species: Cu I

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: e e e

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m m


species: I Sr


species: Cd Fe

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hf Ti


species: Hg V


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au V

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cr Re

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Fe Nb

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Ni Pd

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr Ta

point_group_Schoenflies: T

point_group_structure: alternating


species: Cr Zr

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Cd Y


species: Pd Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Re

Wyckoff_letters_orig: a b c

Wyckoff_letters: b d e

Wyckoff_letters: a c


species: O Sr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c c c c


species: Hf Ta

Wyckoff_letters: a b


species: Nb W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: V Zr


species: Hf Nb


species: Hf Ti


species: Nb Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pt Ti

Wyckoff_letters_orig: a h


species: Sc Y

crystal_class: tetragonal-dipyramidal


species: Ti Zr


species: Ag Tc


species: Fe Re


species: Nb Re

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Pd Si


species: O V

Egap_DOS_type: half-metal

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: Au Mo


species: Fe Pr

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h


species: Nb Pd


species: Hf Re


species: Cu Ho


species: Mo Se

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e f


species: N Zr


species: Au Y

crystal_class_orig: ditrigonal-dipyramidal


species: Cr K


species: Hf Mn


species: Hg K

crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cu F

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: Nb W

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Fe Nb

Wyckoff_letters: a h


species: Cr Ni

Wyckoff_letters_orig: a b


species: Nb O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ge Se


species: Li Tc

crystal_class_orig: tetrahedral


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sc

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Mn W


species: Fe P


species: Ca O

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a

Wyckoff_letters: a a a a a a a


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: e e e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e e e


species: Cu K

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


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

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Ag W

crystal_class_orig: hexoctahedral


species: Pb Pt


species: Ca Ti

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Rh


species: Fe K

Wyckoff_letters: a c


species: Mg O


species: Ca Fe

crystal_class_orig: dihexagonal-dipyramidal


species: Ni O

crystal_class_orig: rhombohedral


species: Ni Os

Wyckoff_letters_orig: a h


species: Mn Sc

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

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

aflow_prototype_params_list_orig: a b/a c/a x2


species: Pb Te

crystal_class_orig: ditetragonal-dipyramidal


species: Cr Hg


species: O Os


species: Ir O

species_pp: Ir O

crystal_class_orig: monoclinic-domatic


species: Cu La

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Au Li

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Pd Th

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h


species: O Ti

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: Ca Mg


species: Cu Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca Tc


species: Pd Tc

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Bi Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: F Mg

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cr O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O W


species: K Mg


species: Ni O

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Fe O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Al Fe

Wyckoff_letters_orig: a e e e e

Wyckoff_letters: a e e e e


species: Mo V


species: Hg Se

species_pp: Hg Se

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cr Li

crystal_class: ditrigonal-scalahedral


Wyckoff_letters_orig: b d


species: O Sc

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: La Zn


species: La N

species_pp: La N


species: Co Rh

crystal_class: tetrahedral


species: Se Ti


species: Sc W


species: Mg N

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Cd Nb


species: Mg S


species: Ba Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn O

crystal_class_orig: diploidal


species: Li Zn

crystal_class: hexoctahedral


species: Fe Mg

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: C Y

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e e e e

Wyckoff_letters: e e e e


species: Bi Cs


species: O Sn

species_pp: O Sn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: I Mn


species: I V


species: Sc Ti

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Li O


species: Li Mg

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a c


sg:
Pnma #62
Cmcm #63
Cmcm #63

aflow_prototype_params_list_relax: a b/a c/a y2


species: Ca Ti


species: Ca O


species: Cu F


species: O W

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Fe Nb

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O Sr

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j

Wyckoff_letters: g i


species: Ti V


species: Cu W

crystal_class: dihexagonal-dipyramidal


species: Si Zr

crystal_class: ditetragonal-dipyramidal


species: Pb Se


species: I Li


species: Eu O

species_pp: Eu O


species: Hf Ir


species: Hf O


species: Er Ni

Wyckoff_letters_orig: a c c d h

Wyckoff_letters: a c c d h


species: Ca V


species: Li Tc

crystal_class_orig: tetrahedral


species: Ca K


species: Nb O


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: a a

crystal_class: ditetragonal-pyramidal


species: I Mn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ca Cr

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Cr F

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b f i

Wyckoff_letters: b c k


species: Re S

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i i i i i i i


species: I Ni

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: Ta V

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Sr

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 b b b

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

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

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: Pd Zr


species: Li Ni


species: O Sc

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf O


species: O Ti


species: K Li

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Cr Li

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: Bi O


species: Tc V

crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Li

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: I V

sg:
Pnma #62
Cmce #64
Cmce #64


species: Au Hg

species_pp: Au Hg

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Ir O

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: O V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F Ta

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Zn


species: C Ca


species: Mg O

sg:
Cc #9
Cc #9
Cc #9

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

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

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


species: Cr W


species: Au Cu

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: O Tc

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pd Sb

Wyckoff_letters_orig: a a a a b b b b

Wyckoff_letters_orig: a a a b

Wyckoff_letters: c c f f

Wyckoff_letters: b c e


species: Mo N

crystal_class_orig: dihexagonal-dipyramidal


species: O W

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Er Se


species: O Ta

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: c a


species: Co Mo

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr Ni

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cu Ti


species: Cu V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Zn


species: Fe Mn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Fe Mo

crystal_class: diploidal


species: Mn Mo

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: V W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co Cr


species: Co Mn


species: Cr Fe

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cr Mn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: e e


species: Cr Ti


species: Cr Zn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Fe Ni

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn Ni


species: Mn Ti

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Mn W


species: Ni Zn

crystal_class_orig: dihexagonal-pyramidal


species: Ti V


species: W Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg In


species: Hg Mg

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hg Se


species: Hg Te

species_pp: Hg Te


species: Ca Ta


species: Mg Ta

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Pm

species_pp: O Pm

Wyckoff_letters_orig: a b

Wyckoff_letters: b a


species: Ti Yb


species: Gd Zn

species_pp: Gd Zn


species: Cu Fe


species: Ca Cl

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Ce Dy


species: Cu Yb


species: Dy Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Er V


species: Eu V


species: Gd Ni


species: Ho V


species: Co I


species: Cr I

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c a c a

Wyckoff_letters_orig: c c c c c c c c c

Wyckoff_letters: c a c a

Wyckoff_letters: c c c c c c c c c


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I In

aflow_prototype_params_list_orig: a b/a c/a beta y1 y2

aflow_prototype_params_list_relax: a b/a c/a beta y1 y2


species: I Pb


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Rb


species: I Sb


species: I Sr


species: Cd W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd Y


species: Cr Pd

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Fe Y

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ir Mn

crystal_class: tetragonal-dipyramidal


species: Ni Ta


species: Ir V


species: La Ti

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Re Zn


species: Au Mn


species: Ag Co

species_pp: Ag Co

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd Cr


species: Cd Mn


species: Ir Ta


species: Ag Ir

species_pp: Ag Ir


species: Fe Nb


species: Hf Mn


species: Nb Zr


species: Fe Pd


species: Ta Y


species: Mg O


species: Ta W

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Pt V

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Ca I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Co I

species_pp: Co I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


species: I Li


species: Be I


species: I Si

species_pp: I Si

Wyckoff_letters_orig: a a a a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a a a a


species: I Rb


species: I Zr

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ag I

species_pp: Ag I


species: I Sb

species_pp: I Sb

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: Hg I

species_pp: Hg I


species: Cd Y

crystal_class: ditrigonal-scalahedral


species: I Zn

species_pp: I Zn


species: I Sr

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a c

Wyckoff_letters: c c c

Wyckoff_letters: a c


species: Cr Te


species: Nb Pd

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ru V


species: Mn Tc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Rh Ta

crystal_class_orig: diploidal


species: Ag Zn

species_pp: Ag Zn


species: Mn Nb


species: Rh Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Tc Zr

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Cd Ir

species_pp: Cd Ir

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Pt Ta


species: Ta V


species: W Zr


species: Hf V


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hf Zr


species: Mo Zr


species: Nb V


species: Nb W


species: Ta Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ti Zr


species: Hf Nb


species: Mo Nb


species: Nb Ta


species: Nb Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Sc Ti

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ba Hg

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu Rh


species: Fe Hg


species: Sb Sr


species: Ce Er

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Pd S

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Au V


species: Co Rh


species: Cu Se

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe Mg

crystal_class_orig: orthorhombic-pyramidal


species: O W


species: O Pd

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: O Sr

sg:
Pbcm #57
Pbcm #57
Pmma #51

sg2:
Pnma #62
Pbcm #57
Pmma #51

Wyckoff_letters_orig: c c

aflow_prototype_params_list_relax: a b/a c/a z2


Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_letters: c b

Wyckoff_letters: a g f j

Wyckoff_site_symmetries: mmm mmm

Wyckoff_site_symmetries: mmm mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


species: Ca Cr


species: F Ir

species_pp: F Ir

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: a c c f

Wyckoff_letters: a c c f


species: K Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co O

species_pp: Co O


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Sc Zn


species: Cs O

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c


Wyckoff_letters_orig: a c d f

crystal_class: hexoctahedral

Wyckoff_letters: a c d f


species: Be Cl

crystal_class_orig: tetrahedral


species: Cr O


species: F Ni


species: I Ti

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


crystal_class: orthorhombic-bipyramidal


species: F Fe

aflow_prototype_params_list_orig: a c/a y2


species: Co F

species_pp: Co F


species: O Tc


species: Ni O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ag Mn


species: Ca Zn


species: Li V


species: Hg N

species_pp: Hg N

Wyckoff_letters_orig: c c c c c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c c c c c


species: O Zn

species_pp: O Zn


species: Li Mn

crystal_class: dihexagonal-dipyramidal


species: O Y


species: Cr Mg


species: O Zr


species: Ca F

Wyckoff_letters: c c


species: Ag Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O V

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: As Ca


species: S Sn

species_pp: S Sn

sg:
Pnma #62
Pnma #62
Cmce #64


species: Br Cd

species_pp: Br Cd

crystal_class_orig: ditrigonal-scalahedral


species: Cu W


species: O Sn

species_pp: O Sn

crystal_class: ditetragonal-dipyramidal


species: Co Li


species: Ni O

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Ga Mn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Ta

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Mn O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: C Fe

Wyckoff_letters_orig: a c e h m n

Wyckoff_letters: a c h e m n


species: O Tc


species: Co F

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Pb Se

Wyckoff_letters_orig: c c


species: Ca Cl


species: Ag Nb


species: Mo O

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a


species: O Pb

crystal_class_orig: ditetragonal-dipyramidal


species: O Zn

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


Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: h u v

Wyckoff_site_symmetries_orig: mmm mmm mmm

Wyckoff_site_symmetries_orig: mmm m.. m..

Wyckoff_letters: a c f

Wyckoff_letters: h u v

Wyckoff_site_symmetries: mmm mmm mmm

Wyckoff_site_symmetries: mmm m.. m..


species: In K

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: F Y

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: N Zr

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i

Wyckoff_letters: a i

Wyckoff_letters: i i


species: Cd O

species_pp: Cd O


species: O Os


species: Cu Sc

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O W

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


species: O Si

species_pp: O Si

crystal_class_orig: dihexagonal-dipyramidal


species: Ag Zr


species: I Nb

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


species: O Y

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Hf O

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: h h


species: Ca Mg


species: Mo Re

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hf Zn


species: Sn Te

species_pp: Sn Te


species: F Mn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Zn

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


species: Au Tc


species: Pt Zn

species_pp: Pt Zn


species: F Ti

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: Li O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

Wyckoff_letters: a d g h


species: O Rh


species: O Sr


species: Ge O


species: K O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Nb V

Wyckoff_letters_orig: c c


species: La Zr


species: Fe I


species: Co Mg


species: Sn Sr

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c l

Wyckoff_letters: a h

Wyckoff_letters: c l


species: Mn Nb


species: Li Mn


species: Fe O


species: Ca Cr


species: S Sn

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: Li Ti


species: Pd W

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ca Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F K


species: Cr Li


species: I V


species: Ni Sc


species: Ir Re


species: Mn Ti

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Cl V


species: La Rh

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Li Tc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O W


species: Co Li

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: La Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co O


species: Li O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a d


species: Ag Ta


species: I O

species_pp: I O

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: O Sr

Wyckoff_letters_orig: a a


species: Fe O

crystal_class_orig: diploidal

crystal_class: diploidal


species: Nb O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: F Mn

crystal_class_orig: orthorhombic-bipyramidal


species: Cu Li

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: O Sn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c d


sg:
Pnma #62
Pnma #62
Pnma #62


species: Y Zn

crystal_class_orig: tetragonal-dipyramidal


sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a a a a a a a b

Wyckoff_letters_orig: a a a a b b b b b

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a b

Wyckoff_letters: a a a a b b b b b

Wyckoff_site_symmetries: m m m m m m m m m


species: Bi O

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c c


species: Cr O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a a


crystal_class_orig: orthorhombic-pyramidal

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: Cd Ti

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: Pt Ru


species: F K


species: Lu O

species_pp: Lu O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


species: Br In

Wyckoff_letters_orig: f f f f f f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f f f f f f

Wyckoff_letters: a e f f f


species: Mg O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


crystal_class: hexoctahedral


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: H O

species_pp: H O

crystal_class_orig: triclinic-pedial

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

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

crystal_class: triclinic-pedial

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


species: Mg Nb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b d


species: Li Pb

crystal_class: dihexagonal-dipyramidal


species: Pb Rb

crystal_class: ditetragonal-dipyramidal


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Co Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Ti


species: Co Cr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr Ti


species: Fe V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Zn


species: Mn Ni

crystal_class_orig: hexoctahedral


species: Ni W


crystal_class_orig: dihexagonal-dipyramidal


species: Co Fe


species: Co Ni


species: Co Ti

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Co V


Wyckoff_letters: c d e


species: Cr V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu V


species: Fe Mo


species: Fe Ni


species: Fe W


species: Mn Ti


species: Mn Zn


species: Mo V


species: Ni V


species: Ti W


species: V W


species: V Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: W Zn


species: F Pb

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: Hg In

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Hg Mg

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb


species: Cl Pb

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ca Cs

Wyckoff_letters: b d


species: Ca Nb


species: Ca Ta


species: K Rb


species: Li Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mg Ta


species: Nb Pb


species: Er O

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: O Pm

species_pp: O Pm

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: Fe Tb


species: Dy Ni

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: K Pb


aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Cr Tb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Er Fe

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nd Ni

Wyckoff_letters: a c


species: Pr Zn

species_pp: Pr Zn

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Sm Tb


species: Tb Zn


species: I In

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: I Ni


species: I Pb


species: Ge I

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


species: Hg I

species_pp: Hg I


species: Au Mn


species: Hf Ni

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: La Os

crystal_class: tetragonal-dipyramidal


species: Mo Re


species: Mo Zr


species: Sc Tc

Wyckoff_letters_orig: c d e


species: Ir Tc


species: Re Ta

Wyckoff_letters: a h


species: Tc V

Wyckoff_letters_orig: a c


species: Ru Y


species: Ir V


species: La Rh


species: Hg Y


species: Ru Tc

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Mg O


species: Cd Tc


species: Re W

Wyckoff_letters_orig: b d


species: Au Sc


species: Cd Sc


species: Ta Zn


species: Ca I

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c d

Wyckoff_letters: b c e


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: c c

Wyckoff_letters: c c c


sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

crystal_class_orig: orthorhombic-bipyramidal


species: Co I

species_pp: Co I


species: Cr I


species: Fe I


species: I Mg


species: I Ni


species: Be I

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ag I

species_pp: Ag I

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


species: I In


species: I Sn

species_pp: I Sn


species: I Pb

Wyckoff_letters_orig: c c


Wyckoff_letters_orig: f f f f

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: i i


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

Wyckoff_letters_orig: c c c c b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c b


Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Sc Ti

Wyckoff_letters: b d


species: Cu I


species: I Zn

species_pp: I Zn


Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: c f


species: Ga I

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Ag Zn

species_pp: Ag Zn


species: Os Tc


species: Tc W


species: Hg Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: La Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Pd Y

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Dy Ni

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Hf V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hf Y

crystal_class_orig: tetragonal-dipyramidal


species: Ni Y

Wyckoff_letters_orig: c f


species: La Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb Y

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Re Ti

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cu Os

Wyckoff_letters: a f


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


species: Pd Ru


species: Hf Zr


species: Ti Zr


species: Au Pd


species: Hf Nb


species: Mo Nb


species: Ta W


species: V Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mg Sr


species: Rh W

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd Os

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Pr Tb

aflow_prototype_params_list_relax: a c/a z2


species: Au Zr


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Au Cr


species: Br Sb

species_pp: Br Sb


species: Pd Te

crystal_class_orig: trigonal-pyramidal


species: Ca O


species: Cr Ta


species: Ge Ti

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: e f h m

Wyckoff_letters_orig: e g k m

Wyckoff_letters: e f h m

Wyckoff_letters: e g k m


species: Mo Zr

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Cr K


species: Ca Co


species: I Mn

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: I Ti

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Ca Tc


species: O Ti


species: Li Mn


species: F Sr

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: Bi Ti

Wyckoff_letters: c f


species: Nb O


species: Ca Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cl Tl


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


species: Ni Ru

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: O Zr

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Cu O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd W


species: Nb Ti

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: O Pt

species_pp: O Pt


species: I V

Wyckoff_letters: e e e


species: O Tb


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d

Wyckoff_letters: a c


species: Mg O


species: K O

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Cu I

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Hg Pd

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pt Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co Mn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: O Os

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Nb Zr


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c

Wyckoff_letters: c c c c


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Ti

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c b b

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

Wyckoff_letters: c c c b b


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cr F

crystal_class_orig: tetragonal-trapezoidal


species: Nb O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: O Tc

crystal_class_orig: ditrigonal-dipyramidal


species: Cu O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cd O

species_pp: Cd O

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: O Pd


species: Pb Se

crystal_class: hexoctahedral


species: Mn O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Fe Li

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Mg S

crystal_class_orig: hexoctahedral


species: Co O

species_pp: Co O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cu Li

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Bi Zr

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Os

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Co F

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: Ag Co

species_pp: Ag Co

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cl Ta

Wyckoff_letters_orig: d e


species: Cd V

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: F Mg

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


crystal_class: ditetragonal-dipyramidal

aflow_prototype_params_list_orig: a c/a z2


species: V W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Os Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Os Rh

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ni O

sg:
Pbcn #60
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: d d d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: d d d


Wyckoff_letters_orig: a a


species: Ir Y

crystal_class: ditrigonal-scalahedral

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Cr K


species: I Mg


species: Mg Te


species: Cr O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Zn

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: O Zr

Wyckoff_letters_orig: c e

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: c e


species: Fe Ni

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F V

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

Wyckoff_letters: e i


Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c c c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c c c


species: Ca O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Cu Li

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu W


species: Fe Ir

crystal_class: ditrigonal-dipyramidal


species: V Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd F

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e


species: Ca Cu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Br Fe


species: I Mn


species: Cu Ir


species: Ag Ca

crystal_class_orig: orthorhombic-bipyramidal


species: Eu O

species_pp: Eu O


species: Hf O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56


species: Mo Tc


species: Fe K


species: O Tc


species: Fe La


species: Nb Sc

Wyckoff_letters_orig: a d


species: O Ti


species: Eu Ge


species: O Sr


species: Re Y

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cd Zr


species: Cr Li

Wyckoff_letters: a d


species: K O


species: Dy Pt


species: Mn O


species: Nb O

sg:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: F Li


species: I Mn

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i j

Wyckoff_letters: a i


species: Fe Sb


species: Co Mn


species: Br Dy

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: As Ga


species: O Re

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: g b


species: O Pt

Wyckoff_letters_orig: a f h

Wyckoff_letters: a f h


species: Mn V

Wyckoff_letters: a f


species: F V

Wyckoff_letters_orig: c g i i j

Wyckoff_letters_orig: d i

Wyckoff_letters: c g i i j

Wyckoff_letters: d i


species: O Pd


species: Fe Mg


species: As Dy


species: Se Zn

species_pp: Se Zn


species: Mo Te


species: Ni O


species: H Ta

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal

aflow_prototype_params_list_orig: a b/a c/a z2


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Te Zn

species_pp: Te Zn


species: Nb O


species: Ca Tc


species: Hg Ti


species: F Zn

species_pp: F Zn

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

Wyckoff_letters_orig: c c c b b

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

Wyckoff_letters: c c c b b


species: O Rh

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: Mg O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O V


species: S Sn

species_pp: S Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Ca O

sg:
Fmm2 #42
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a a b c e


species: Hg Pd


species: Cr O


species: Ca Li


species: Mn Tc

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Fe Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pb Te

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: Au Nb

Wyckoff_letters_orig: c i

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


species: Co O


species: Li O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: K Mg


species: Cu Li


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: P Ta

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters: g g g

Wyckoff_letters: g g g g g g


species: Nb O

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hf Ru


species: O Sc


species: Mg Te


species: Ge Tb

Wyckoff_letters_orig: a c g g h

Wyckoff_letters_orig: g h

Wyckoff_letters: a c g g h

Wyckoff_letters: g h


species: Hg O

species_pp: Hg O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: e e e e


species: O Pb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: C Ti

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co Ge

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Dy O

crystal_class_orig: tetrahedral

crystal_class: diploidal


species: Ca Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca Pb


species: K Pb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cs Pb


species: Li Pb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cu Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Mn Ni


species: Mo V


species: Co Cu


species: Co Ni

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cr Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu W


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe W


species: Mn Mo

aflow_prototype_params_list_orig: a c/a x4


species: Ni V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ni Zn


species: Co Ti

aflow_prototype_params_list_orig: a b/a c/a x2


species: Co W

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cr Ni


species: Cr V


species: Cr W


species: Cr Zn


species: Cu Mo


species: Cu Ti


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu Zn

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Fe Ti


species: Mo Ni

crystal_class: tetrahedral


species: Mo W


species: Ti W


species: Hg In


species: Hg K


species: Hg Li

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb


species: Ca Nb


species: K Rb


species: Nb Pb


species: Nb Rb


species: Rb Ta


species: F Pb


species: Cl Pb


species: Cl Ta

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: O Pb

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

Wyckoff_site_symmetries_orig: m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a

Wyckoff_site_symmetries: m m m m m m


species: Cl Nb

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i


sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sm


species: Cu Nd

crystal_class_orig: ditrigonal-dipyramidal


species: Tb Ti


species: Cu V


Wyckoff_letters_orig: d i


species: Eu Sm


species: Eu Ni

crystal_class: dihexagonal-dipyramidal


species: Fe Ho

Wyckoff_letters_orig: c d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d e


species: Ho Yb


species: Mn Pr


species: Mn Tb


species: Ni Sm


species: Pm Tb


species: Cr I

crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pedial

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


species: Hg I

species_pp: Hg I

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ba I

crystal_class: orthorhombic-bipyramidal


species: Ga I


species: I Si

species_pp: I Si

crystal_class_orig: diploidal


species: I Zn

species_pp: I Zn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Hf Mn


species: Au Co

species_pp: Au Co

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Au Cr

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: Cr Re


species: Nb Re


species: Ag Pd


species: Ca Cl

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Hg Rh

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd Re


species: Cd Y

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

crystal_class: hexoctahedral

Wyckoff_letters: a c


species: Ir Nb

crystal_class_orig: dihexagonal-dipyramidal


species: Yb Zn

species_pp: Yb Zn


species: Co Tc


species: Hf Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ta Tc


species: Fe Pd

sg:
Immm #71
Immm #71
Immm #71


species: Rh W

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c c


species: Ta Zr


species: Hg Zr


species: Mo Nb


species: Re Zn


species: Co I

species_pp: Co I

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f

Wyckoff_letters: c f f


species: Cr I


Wyckoff_letters_orig: a b e

Wyckoff_letters_orig: e e

Wyckoff_letters: a b e

Wyckoff_letters: e e


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

crystal_class: trigonal-trapezoidal

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: I K


species: I Li

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


crystal_class_orig: orthorhombic-bipyramidal

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: I Mg


species: I Ni


species: Be I


species: I Zr

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Cd I

species_pp: Cd I


species: I Sn

species_pp: I Sn


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: b d

Wyckoff_letters: e g

Wyckoff_letters: b d


species: Hf La

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: W Y

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cu I

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: I Zn

Wyckoff_letters_orig: e e e

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

Wyckoff_letters: e e e

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


species: Al I

species_pp: Al I

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


species: Ga I

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: I Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag Au

species_pp: Ag Au


species: Nb V


species: Cr Sc


species: Hg Os


species: La Re

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Zr


species: Re W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Ti


species: Hf Zr


species: Ta Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb W

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Au Zn

species_pp: Au Zn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr Pd


species: Ni Pr

crystal_class: ditrigonal-dipyramidal


species: Pt Ta

crystal_class: tetragonal-dipyramidal


species: Rb Te

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

Wyckoff_letters: f g

Wyckoff_letters: e h


species: Cl O

species_pp: Cl O

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: Ni Pt


species: Cd Hf


species: Au Sc


species: Cu Re


species: Ag Cr


species: Re Y


species: Cu Fe

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cl V


species: Bi Ti


species: Fe Mg


species: Mn V


species: Co F

species_pp: Co F

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: Cu O


species: Cd Ru

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Ni O

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Hf Pt


species: Hf Rh


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: F V


species: O Re


species: Cs O


species: Ag Zr

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Rh

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo O


species: B Pd

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd S

species_pp: Cd S

crystal_class: diploidal


species: Cu Sn


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


species: Mo Ti


species: Mo Os


species: Fe La

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Sr

Wyckoff_letters_orig: a b

Wyckoff_letters: a c


species: Mn O

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Cr Sc


species: Hg O

species_pp: Hg O

sg2:
Pmmn #59
Immm #71
I4/mmm #139


species: Cr F

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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


species: Hf O


species: Fe W

crystal_class: ditetragonal-dipyramidal


species: F Zn

species_pp: F Zn


species: Nb O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c d


species: Hg W

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

Wyckoff_letters_orig: b l


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: N Ru


species: Ca Fe


species: Co Li


species: Rb Te

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

Wyckoff_letters: f g

Wyckoff_letters: e h


species: Mo O


species: Cl Pd

crystal_class: orthorhombic-bipyramidal


species: Ni O

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64


species: I O

species_pp: I O


species: O V

crystal_class_orig: orthorhombic-sphenoidal


Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mn O

Wyckoff_letters_orig: a c


species: Ge Se

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Fe Li

crystal_class: dihexagonal-dipyramidal


species: F Mg


crystal_class: ditrigonal-scalahedral


species: O Sc


Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Bi In


species: La Zn

species_pp: La Zn


species: Cr Li

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: F V


species: I Ni


species: Ir Zr

crystal_class: hexoctahedral


species: C Ce

species_pp: C Ce


crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: F Ni

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: Cr Nb

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a

Wyckoff_letters: a a


species: Cu F

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Co F


species: Cl Ge

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: K Mg

Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: d i

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


species: N Os

crystal_class_orig: ditetragonal-dipyramidal


species: Ca O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: Fe Zn

crystal_class_orig: dihexagonal-dipyramidal


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: N Y

crystal_class_orig: ditrigonal-scalahedral


species: Cr F

crystal_class_orig: hexoctahedral


species: I V


species: F Zn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Nb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: O Si

species_pp: O Si

Wyckoff_letters_orig: c e h i

Wyckoff_letters_orig: g h

Wyckoff_letters: c e h i

Wyckoff_letters: g h


species: O V

crystal_class_orig: tetragonal-trapezoidal


species: O Os

crystal_class_orig: orthorhombic-pyramidal


species: F Fe

Wyckoff_letters_orig: a a a a a a

crystal_class: rhombohedral

Wyckoff_letters: a b


species: I Ta

Wyckoff_letters_orig: a d g

Wyckoff_letters: a c k

aflow_prototype_params_list_relax: a c/a x4


species: Sc Zr

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cu Tc

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Fe O


species: Hg O


species: As Cl

species_pp: As Cl

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: O Sb

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: O Pd

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Fe Li


species: Pt Sc

Wyckoff_letters_orig: a b


species: Cr W


species: O Sn


species: Mn Nb

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: F Ni

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a b i


species: Au B


species: Li V

Wyckoff_letters_orig: b e

Wyckoff_letters: b c


species: O Ti

Wyckoff_letters_orig: e e e

Wyckoff_letters: j i


species: Fe Mg

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Cd Fe

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mg O


species: O Zr

Wyckoff_letters_orig: a a a a a a


species: I Mn

crystal_class_orig: rhombohedral


species: As Mn


species: Co K

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Li O


species: Mn O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a a


species: Se Sn

species_pp: Se Sn

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cr Mg

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: K O

crystal_class_orig: dihexagonal-pyramidal


species: Cu F


species: I Nb

Wyckoff_letters_orig: a a

crystal_class: diploidal


species: O Tc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg Se

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d


species: Co Hg

species_pp: Co Hg


species: I V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pb Rb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Ta


species: Mg Pb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mo W

Wyckoff_letters_orig: a f

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a e


species: Co Cr


species: Cu W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe Mo

crystal_class: tetragonal-dipyramidal


species: Ni Ti


species: Ni W

crystal_class: orthorhombic-bipyramidal


species: Ni Zn


species: Ti V


species: Cr Cu


species: Cr Mo

crystal_class: dihexagonal-dipyramidal


species: Cr V


species: Cu Ti

Wyckoff_letters: c d


species: Cu V

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cu Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Fe W


species: Mn W


species: Mo V


species: Ni V


crystal_class_orig: diploidal


species: V W

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cl Cs


species: Cl K

crystal_class: dihexagonal-pyramidal


species: Ba Hg

crystal_class: hexoctahedral


species: Hg S

species_pp: Hg S


species: Hg Ho


sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: O Pb


species: Ca Rb


species: Ca Ta


species: K Ta


species: Li Ta


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mg Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Li

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: F Nb


species: Er O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Pm

species_pp: O Pm

crystal_class: ditrigonal-scalahedral


species: Er Fe

crystal_class_orig: dihexagonal-dipyramidal


species: Mn Tb

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d


species: Ho V

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cl Mg

crystal_class_orig: orthorhombic-bipyramidal


species: Er Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe Sm

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Sm Yb


species: Co I

species_pp: Co I

crystal_class_orig: monoclinic-prismatic


species: I In

aflow_prototype_params_list_orig: a b/a c/a beta y1 y2


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ag Y

Wyckoff_letters: a d


species: Au Sc

crystal_class_orig: hexoctahedral


species: Cd Re

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Co Gd

species_pp: Co Gd


species: Mn Sc


species: O Ti

Wyckoff_letters_orig: b c n

Wyckoff_site_symmetries_orig: mmm mmm m..

Wyckoff_letters: b c n

Wyckoff_site_symmetries: mmm mmm m..


species: Zn Zr


species: Ca F


species: Hf Ni


species: Hg Sc


species: Cr Ta

Wyckoff_letters_orig: c d


species: Hf Zr


species: Ni Zr

Wyckoff_letters_orig: a e


species: Pt Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ta V


species: Ag Hg

species_pp: Ag Hg

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cd W


species: Cu Sc


species: Hg Pt

species_pp: Hg Pt


species: La Zr


species: Ir Sc


species: Co Ru

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Al O

species_pp: Al O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Au V


species: Cd Cr


species: Co Re


species: Hg Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: La Zn


species: Pt Ta

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Fe Pd


species: Ca I

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e


species: Co I

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: c b

Wyckoff_letters: a g f j

aflow_prototype_params_list_orig: a b/a c/a x6


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b c


species: Cr I

Wyckoff_letters_orig: g h


species: Fe I

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i

Wyckoff_site_symmetries: 2/m m m m m


species: I K

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


species: I Li

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Si

species_pp: I Si

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: i 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: I Pb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Cr Ru


species: Hg Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cs I


species: Mn Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn Zr


species: Cd Cu


species: Co Mo

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Os Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ag Hf


species: Cd Pt

species_pp: Cd Pt


species: Co Sc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mn Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Pd Pt


species: Mo S

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b


species: Cu Sc


species: Ir Re


species: La Zn

species_pp: La Zn


species: Sc W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Tc V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: W Zr


species: Hf Nb


species: Mo Nb


species: Hg Zn

species_pp: Hg Zn


species: La Pt

species_pp: La Pt


species: Ru Sc


species: Nb Ta


species: Rh Y


species: La Mn


species: Ir Ti

Wyckoff_letters: c d e


species: Au Y


species: Hf Re

Wyckoff_letters_orig: a d


species: Rh Ti


Wyckoff_letters: a d


species: Bi O


species: F Mg

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: K Li


species: Ti V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Zr

crystal_class_orig: tetragonal-trapezoidal


species: C Ir

species_pp: C Ir

sg:
Ccce #68
Fmmm #69
Fmmm #69

sg2:
Ccce #68
Fmmm #69
Fmmm #69


species: Ca Cr


species: Ca N


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: Ca Li


species: B Mg

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Ca Ni

Wyckoff_letters: a b


species: Mo Ti

sg2:
Immm #71
Immm #71
Immm #71


species: I V

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cr O


sg2:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c


species: Cd O

species_pp: Cd O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Ca Ti

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: C K


species: Mn Nb


species: Ni P


species: O V

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Ca O

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h


species: Li V


species: Cu F

crystal_class: monoclinic-prismatic


species: O W

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters: c c


species: K Li


species: Gd O

species_pp: Gd O


species: O Tc


species: O Si

species_pp: O Si

crystal_class: tetragonal-trapezoidal


species: Li O


species: Nb O


species: Li Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: n m


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Hf O


species: I Zn

species_pp: I Zn


species: La Rh

Wyckoff_letters_orig: a b


species: F Fe

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Pb

crystal_class: ditrigonal-dipyramidal


species: Co Mg

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Se Zn

species_pp: Se Zn


species: Co Li


species: Li Ti


species: Rh Sc


species: O Tb

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: a e f f f

Wyckoff_letters: f f


species: Hg O

species_pp: Hg O

crystal_class: tetragonal-scalenoidal


species: Ca Fe


species: Cr O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd Ni


species: Ni W


species: Ca Tc

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: O W


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Fe Li


Wyckoff_letters_orig: a c d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c d


species: O Pr

species_pp: O Pr


species: N Sr


species: H Mg

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: e a d


species: Bi O

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57


species: Ni O


sg:
Pnma #62
Pmma #51
Pmma #51

sg2:
Pnma #62
Pmma #51
Pmma #51

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a e f


species: Au Ba


species: Cd Co

species_pp: Cd Co

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: b a a a a

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b a a a a

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


species: K Mg

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: F Ti

sg:
Ama2 #40
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: a b


species: O Tc

Wyckoff_letters_orig: e e


species: Ca O


species: Co Mg

Wyckoff_letters_orig: b f


species: Li Rh

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: c h

Wyckoff_letters: d a


species: Fe K

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: b e

Wyckoff_letters_orig: a c f l

Wyckoff_letters: b g

Wyckoff_letters: a c h o

Wyckoff_site_symmetries: mmm mmm 2mm .m.


species: Nb O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h


species: Pd Y


species: Co K


species: I Ta

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: H Mn


species: Cu O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: d i

Wyckoff_site_symmetries: 2/m m m m


species: Cd O

Wyckoff_letters: e e


species: F Sr

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters: a b


species: B Mn

crystal_class_orig: triclinic-pedial

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

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

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

Wyckoff_letters: a a a a


species: F Hf

Wyckoff_letters_orig: a d


species: Ca Zn

crystal_class_orig: dihexagonal-dipyramidal


species: I O

species_pp: I O

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a


species: Pr Te

species_pp: Pr Te

crystal_class_orig: tetrahedral


species: O Sn

species_pp: O Sn

crystal_class: ditetragonal-dipyramidal


species: Mg O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Mg

crystal_class_orig: ditrigonal-scalahedral


species: Cr Ta

Wyckoff_letters: a d


species: Ti W

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: K Mg

crystal_class: dihexagonal-dipyramidal


species: Au Os


species: O Ti

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Si V


species: H Zr

crystal_class_orig: ditetragonal-dipyramidal


species: Co O

species_pp: Co O

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Ir Re

crystal_class_orig: hexoctahedral


species: F Sn

species_pp: F Sn

Wyckoff_letters_orig: a b


species: O Os


species: Er O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a


species: O V


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters_orig: a e e e

Wyckoff_letters: e e e e e e e

Wyckoff_letters: a e e e


species: Cl La

species_pp: Cl La


species: Sc W


species: Ti Zn


Wyckoff_letters_orig: i i

Wyckoff_letters: f c


species: Li Tc


species: Dy Se


species: I Mn

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Ir Zr


species: F Ir

species_pp: F Ir

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: b c

Wyckoff_letters: i i i i

Wyckoff_letters: c b


species: O Sn

crystal_class: hexoctahedral


species: Ca Cr


species: C O

species_pp: C O


species: Hf O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j


species: K Sn

Wyckoff_letters_orig: d i k

Wyckoff_letters: d i k


species: Co Sc


species: F Fe

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ru V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


crystal_class: ditrigonal-scalahedral


species: Co O

sg:
Pnma #62
Cmce #64
Cmce #64


Wyckoff_letters_orig: a d


species: O Sr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Ti

crystal_class: monoclinic-prismatic


species: Li V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Sr


species: Fe Mg

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: K O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe Li


species: Li Mg


species: K Li

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Fe Zr


species: Co Pd


species: Cr Nb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cs Pb


species: K Pb


species: Mg Pb


species: Cs O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Mn


species: Cr V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mn Zn


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu Mn

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Cu Ni

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu W


species: Fe W

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mn V


species: Mn W


species: Ni 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: Ti V

crystal_class: ditrigonal-dipyramidal


species: Co Fe

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Co W

Wyckoff_letters: c e d


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Mo


species: Cr W


species: Cr Zn


species: Fe Mo

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Ti


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ni W


species: V W


species: Hg In


species: Hg Ho


species: Hg K


species: Hg Li


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cs Mg


species: Cs Rb


species: K Nb


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cl Nb


species: Al O

species_pp: Al O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Ce O

species_pp: Ce O


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: O Yb

species_pp: O Yb

crystal_class_orig: ditetragonal-pyramidal


species: Co Nd

species_pp: Co Nd


species: Co Tb


species: Ni Sm


species: Cl Cs


species: O Pb

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: Cu Er


species: Co Ho

Wyckoff_letters_orig: e e


species: Cu Dy


species: Er Eu


species: Er Zn


species: Nd Zn

species_pp: Nd Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I In

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: I Sb

species_pp: I Sb


species: I Si

species_pp: I Si

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


species: Co Ta


species: Fe Tc


species: Ir Sc