species: Cu I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


Egap_DOS_type: metal

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

aflow_prototype_params_list_orig: a c/a


species: I Zn

species_pp: I Zn

Egap_DOS_type: insulator

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


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: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

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

Wyckoff_letters_orig: d e

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

aflow_prototype_params_list_relax: a c/a x2


species: I Sr

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: Au W

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


species: F 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: f f f f

Wyckoff_letters_orig: f f

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Hg Pd


Egap_DOS_type: half-metal

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

crystal_class_orig: monoclinic-sphenoidal

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

point_group_structure: cyclic

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: a b e e e


species: Pt Y

Bravais_lattice_relax: BCT

Bravais_superlattice_lattice_type_orig: BCT

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT


species: Pt Zn

species_pp: Pt Zn

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: c e d


species: Hg Ta

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

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Cs Hg


species: Nb Pd

aflow_prototype_params_list_relax: a c/a


species: Cd Cs

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: ditrigonal-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

crystal_system: hexagonal

crystal_class: ditrigonal-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


species: Re Tc


species: Mg Pd

crystal_class_orig: ditrigonal-scalahedral


species: Nb Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Ag Cu

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cd Mn

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

aflow_prototype_params_list_relax: a b/a c/a x2


species: Ta Ti


species: Ta V

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

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

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: Hf Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ta Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: La Mo

point_group_Schoenflies: T

point_group_type: enantiomorphic

point_group_structure: alternating


species: O Si

species_pp: O Si

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: Ag Co

species_pp: Ag Co

aflow_prototype_params_list_orig: a c/a x2


species: Co Hg

species_pp: Co Hg


species: Mo Nb

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Co Tc


species: Rh Zr


species: Cd Hg

species_pp: Cd Hg

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Tc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: S Zn

species_pp: S Zn

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Re Ta


species: O Rh

Wyckoff_letters_orig: f e

Wyckoff_letters_orig: g g

Wyckoff_letters: f e

Wyckoff_letters: g g


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m

Wyckoff_site_symmetries: m m m m


species: O Zn

species_pp: O Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: c f

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: a c f

Wyckoff_letters: c f


species: Ca Ni

crystal_class_orig: diploidal

crystal_class: diploidal


species: Fe H

Wyckoff_letters_orig: c e e g

Wyckoff_letters: c e e g


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu K


species: Re Tc


species: Cr Li


species: Ca O

sg:
Pmmn #59
Cmmm #65
Cmmm #65

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Hg O

species_pp: Hg O

Wyckoff_letters: e f


species: Ca Tc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pb Se

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


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: Dy Sn

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a e f

Wyckoff_letters_orig: b e e f f f

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Wyckoff_letters: a e f

Wyckoff_letters: b e e f f f


species: Co Sc


species: La O

species_pp: La O

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: c c

Wyckoff_letters: a d


species: Li Mg


Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: g i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: O Ti

Wyckoff_letters: a h g


species: Ho O

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: Co O

species_pp: Co O

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Ba H

sg2:
Pnma #62
Pmmn #59
P4/nmm #129

Wyckoff_letters: a c


species: K O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m

Wyckoff_site_symmetries: m m m m m


species: Nb O

Wyckoff_letters_orig: a d


species: Pt Ta

Wyckoff_letters_orig: a c


species: Fe Si


species: F K


species: Sc W

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: B Mg

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hf Os


species: Fe I

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: B Cl

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: O Pr

species_pp: O Pr

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b a d d

Wyckoff_letters_orig: c d


species: Ca Fe

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Sr

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


crystal_class_orig: dihexagonal-pyramidal


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Ge S

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: h h

crystal_class: tetragonal-scalenoidal


species: Bi Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Dy Tl

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: c f g

Wyckoff_letters: c e

Wyckoff_letters: c f g


species: La Pb

point_group_structure_orig: symmetric


species: Fe Sc


species: Ca K

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ru Tc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c d d d d

Wyckoff_letters: a c d

Wyckoff_letters: c d d d d


species: O Tc


species: I Li


species: F Ti

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f

Wyckoff_letters: e f


species: Fe Mo


species: I Zn


species: Fe Re


species: Fe Hg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Mn

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: Cr O

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Ir Y

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Ca Mg


species: C Os


species: Si V

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g g


species: Mo Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Tm

species_pp: O Tm


species: Cd O


species: O W

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: p g h j

Wyckoff_letters: g i


species: Ga P

crystal_class: dihexagonal-pyramidal


species: Mg O

Wyckoff_letters_orig: f f f k

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters: f f f k

Wyckoff_letters: c d e f k k


species: Co O

Wyckoff_letters_orig: a b f f

Wyckoff_letters: a b f f


species: As Te

species_pp: As Te

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Pt

species_pp: Co Pt

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd F

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n


species: Cu Re


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: Sc V


species: K O


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Zn

crystal_class_orig: hexoctahedral


species: O Sc


species: Ca I


species: F Ni

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: b b c c c c

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: b b c c c c


species: Ca Mn

crystal_class: hexoctahedral


species: Eu O

species_pp: Eu O


species: V Zn


species: P Se

species_pp: P Se

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: Cd O

crystal_class: ditetragonal-dipyramidal


species: As Sr

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

Wyckoff_letters_orig: i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i


species: Cu O


species: F Hg

species_pp: F Hg

Wyckoff_letters_orig: e g i

Wyckoff_letters: e g i


species: Nb V

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: O Ti

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-bipyramidal


species: Hf O

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


species: S Ta

Wyckoff_letters: a a


species: Co Mg


species: Mo Zn


species: O Zr

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O Zn

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


species: Ir O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Ca Ni

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe Zn

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: Fe Nb


species: Mn Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Sr

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: d i i

Wyckoff_site_symmetries: 2/m m m


species: F Hf

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


crystal_class_orig: ditrigonal-scalahedral


species: Pd Pt

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O V

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a b b b

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a b b b


species: Ag Hg

species_pp: Ag Hg

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Fe


species: I Nb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: F Zn

species_pp: F Zn

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Eu O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m


species: Pb Se


species: F Mn

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Pb Te

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f

Wyckoff_letters: d e


species: Ta Ti


species: F Ti

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a


species: N Ni

crystal_class_orig: hexagonal-trapezoidal


species: Li O

Wyckoff_letters_orig: h k

Wyckoff_letters: a b

Wyckoff_letters: h k


species: O W

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

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

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

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


species: Li V

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: O Os

Wyckoff_letters_orig: g l

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g l


species: Li Zn

sg2:
Pnma #62
Pnma #62
Cmmm #65

Wyckoff_letters_orig: c d

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a b/a c/a


species: K Mg

crystal_class_orig: diploidal


species: K Pb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Mn Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co Mn


species: Co Mo


species: Cr Ni


species: Cu Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe V


species: Mo Zn


species: V W

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Co Cr


species: Cr Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Mn


species: Cu Mo


species: Cu Ni


species: Cu W


species: Mn V


species: Mo Ti


species: Ti V


species: Ti W


species: F Pb

Wyckoff_letters_orig: a e i

Wyckoff_letters: a b i


species: Hg In


species: Hg S

species_pp: Hg S

Wyckoff_letters: c d e


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Cl Pb


species: Ca Rb


species: Ca Ta


species: Cs Ta


species: K Rb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Li Ta


species: Nb Pb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Nb Rb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: O Pr


species: Ni Pm


species: Fe Mo

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ce Fe

crystal_class_orig: ditetragonal-dipyramidal


species: Cu Er

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu Tb


species: Dy Tb

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Er Pr


species: Eu Mn


species: Fe Ho

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Nd Pr

species_pp: Nd Pr


species: Nd Yb

species_pp: Nd Yb


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

reciprocal_lattice_type: ORCF


species: Ga I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Ho Mn


species: Pt Re

crystal_class_orig: orthorhombic-bipyramidal


species: Tc Ti

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: V Y


species: Ag Rh


species: Hg Os


species: Rh Y


species: Ir Mn


species: Ag Pt

species_pp: Ag Pt


species: Cu Tc


species: Hf Pt


species: Hf Y

Wyckoff_letters_orig: a f

Wyckoff_letters: a f

aflow_prototype_params_list_orig: a b/a c/a


species: Hg La

species_pp: Hg La

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Re Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ta W


species: Re Ru


species: Cd Ta


species: Re Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Tc


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cd Zr


species: Mn Os

crystal_class_orig: hexoctahedral


species: Mn Ru

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ca I


species: Co I

species_pp: Co I


crystal_class_orig: ditrigonal-pyramidal

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: Cr I

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


species: Fe I

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I K

crystal_class: diploidal


species: I Li

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e f


species: I Mg

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: a c e


species: I Zr

Wyckoff_letters: a e


species: I In

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: I Sn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: i j j j k k

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: i j j j k k


species: Hg I

species_pp: Hg I


species: Au Ta

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au Y


species: Mo Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Cu I

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: a c

Wyckoff_letters: c f


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a


species: I Zn

species_pp: I Zn

crystal_class_orig: ditrigonal-scalahedral


species: Al I

species_pp: Al I

Wyckoff_letters: b d


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ag Co

species_pp: Ag Co


species: La Rh


species: Co Pd


species: Co Ta


species: Hg Sc


species: La Pd


species: Ir Mn


species: Cd Tc


species: Cl Nb

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

Wyckoff_letters_orig: a a a a a

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

Wyckoff_letters: a a a a a


species: Fe H


species: Ag Y


species: Co Tc

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: La Pt

species_pp: La Pt


species: Mo Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb Zr


species: Ta W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ti Zr


species: Ag Pd


species: Cu Ru

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hf Mo


species: Hf W

Wyckoff_letters_orig: a i

Wyckoff_letters: a f

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


species: Mo Nb


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Nb Ta

sg:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


Wyckoff_letters_orig: a e


sg:
Pnma #62
Pbam #55
Pbam #55

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu S

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Ir Zr


species: Os Sc


species: Ce Er


species: Ru Ti


species: Au Co

species_pp: Au Co

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Ni


species: Mg Si

Wyckoff_letters_orig: a c


species: Ca Li


species: Co F

species_pp: Co F

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: La Os

sg:
Pnma #62
Pnma #62
Pnma #62


species: Mo Pd

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: O Zn

species_pp: O Zn

crystal_class: hexoctahedral


species: Re Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: O V


species: Au Os

crystal_class_orig: ditrigonal-dipyramidal


species: O Re


species: B W


species: O Ru

Wyckoff_letters_orig: h h h

Wyckoff_letters_orig: c e h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h h h

Wyckoff_letters: c e h


species: Cr O

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: I Ti


species: La Sn

species_pp: La Sn


species: Pb Se

sg2:
Pnma #62
Pnma #62
Pnma #62


species: I Nb

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Mn Re


species: Rb Sb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Pb


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters: a c


species: Fe O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr Mo

aflow_prototype_params_list_orig: a b/a c/a x2


species: Li V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: Au Ta

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Ga


species: F Sr


Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: c b e m

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a beta x6 z6


species: Cr Mg


species: Li O


species: Nb O

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a


species: Au Pd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: B Nb

Wyckoff_letters_orig: c c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c c


species: Ag Nd

species_pp: Ag Nd


species: O W

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


species: O V


species: Fe Y

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c g g g h

Wyckoff_letters_orig: a b c g g


Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: O Zn


species: Ni O


species: O Pt

species_pp: O Pt


species: Cr W

sg2:
Fdd2 #43
Fddd #70
Fddd #70

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a e


species: Mn O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ni Ti

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ag Co


species: Cd Fe


species: Li Ni


species: Cr O

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e

Wyckoff_letters: a c f

Wyckoff_letters: b d e


species: I Mn


Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Ir O

species_pp: Ir O


species: K O

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

Wyckoff_letters: f g

Wyckoff_letters: e h


species: F V


species: Fe Ni

crystal_class: ditrigonal-scalahedral


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i


species: Al Zr

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O Ru

Wyckoff_letters_orig: e e


species: Cd Mn


species: Li V

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

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


species: Nb V

Wyckoff_letters_orig: a h


Wyckoff_letters_orig: c c d d d d

Wyckoff_letters: c c d d d d


species: Cu Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Pd

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Os

Wyckoff_letters_orig: c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c


species: Al Er

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: b c c

Wyckoff_letters: d g f


species: Au Hg

species_pp: Au Hg


species: Pd Zn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a l


species: Bi O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Si

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a c e e e e e h h h h h

Wyckoff_letters_orig: f i i i i i i i i i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a c e e e e e h h h h h

Wyckoff_letters: f i i i i i i i i i


species: Cr O

Wyckoff_letters_orig: a b b


species: Cr K

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ag W

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: I Tc

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Ge Te

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: Fe Mg


species: O Re


species: Ni O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Fe O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Os Pt

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mn O

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: I Ti


species: I Nb

Wyckoff_letters_orig: a a a

Wyckoff_letters: d c


species: O Sn

species_pp: O Sn


species: F Sr


species: Cu O


species: Cr Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Ge

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c

Wyckoff_letters: a b d


species: O Tc

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: e c


species: Ir O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Nb Ti


species: Li Mg


species: O Ru

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: C Eu

species_pp: C Eu


species: Pb S

crystal_class_orig: trigonal-trapezoidal


species: Bi O


species: Ho O


species: Ca Mn


species: Cr F

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: f f f

Wyckoff_letters: e e

Wyckoff_letters: f f f


species: In O

Wyckoff_letters_orig: a b b

crystal_class: diploidal

Wyckoff_letters: a d


species: Li O


species: Al Ti


species: Nb Ru

crystal_class: tetrahedral


species: Ca K


species: O Tb

Wyckoff_letters_orig: c c c d

Wyckoff_letters_orig: c d

Wyckoff_letters: c c c d

Wyckoff_letters: c d


species: V Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i

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


species: B S


species: O Ti

Wyckoff_letters_orig: b g


species: Ni Tc


species: Mo O


species: Mn Zn


species: K Mg


species: Pd Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: La Zn

species_pp: La Zn


species: Ge S


species: Ca Fe


species: O Y

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a


species: Co F


species: O W

Wyckoff_letters_orig: a a a a a a

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: Fe Mn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cr Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu O


crystal_class_orig: monoclinic-domatic

Wyckoff_site_symmetries_orig: m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_site_symmetries: m m m m m m


species: O V


species: Pd S

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c e j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c e j


species: O S

species_pp: O S


species: K Pb


species: Li Pb

crystal_class: hexoctahedral


species: N Ta

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Cr Ni

crystal_class: ditetragonal-dipyramidal


species: Ti Zn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Co Ti

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr Ti


species: Cu V

crystal_class: orthorhombic-bipyramidal


species: Mn Ni


species: Mn V


species: Mo Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


crystal_class_orig: tetrahedral


species: V Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Co Fe

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Cr Cu


species: Cr W


species: Cu Mo


species: Mn Mo


Wyckoff_letters_orig: a d


species: Mn Zn


species: Mo W

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


Wyckoff_letters_orig: b c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: b c


species: O Pb

crystal_class_orig: orthorhombic-sphenoidal


species: Ca Cl

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: Hg Rb

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hg Ho

sg:
Pnma #62
Imma #74
P4/mmm #123

sg2:
Pnma #62
Pnma #62
P4/mmm #123

Wyckoff_letters_orig: c d

Wyckoff_letters: a e


species: Hg In


species: Hg K


species: Hg Mg

crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Hg Se

species_pp: Hg Se

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg Te

species_pp: Hg Te


species: K Nb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Li Nb


species: Li Rb


species: Mg Ta


species: Cs Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hg Li


species: Cl Ta

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c c d d d

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c d d d

Wyckoff_letters: c c


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: Gd O

species_pp: Gd O


species: Nd O

species_pp: Nd O


species: Cr Ho

Wyckoff_letters: c d e


species: Ni Yb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Tm

species_pp: O Tm


species: Ce Mn


species: Cs Pb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ce Ni


species: Cu Nd


species: Dy Gd


species: Er V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ni Tb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pr Tb

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cd I

species_pp: Cd I


species: I Si

species_pp: I Si

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Be I


species: Ga I

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: I Zn

species_pp: I Zn

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e e h h h

Wyckoff_letters_orig: h h

Wyckoff_letters: e e h h h

Wyckoff_letters: h h


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: Cd Y

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ni Pd

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Pd Rh

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Au Fe

Wyckoff_letters: a d


species: Fe Sn


species: Hg Pd

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg Pt

species_pp: Hg Pt


species: Nb Ti

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Nb Zn


species: Cu Nb


species: Pt Tc


species: Re V


species: Cd Tc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mo Sc

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ni Pt

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg O


species: Ag Cu


species: Cr Nb


species: Ru Tc

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Au Sc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca I

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Cr I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe I


sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: I Mg


Wyckoff_letters_orig: d e


species: Be I


Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: I Rb


species: I Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ag I

species_pp: Ag I


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b b

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b

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


species: I Sn

species_pp: I Sn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: b c

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i

Wyckoff_letters: b a


species: Ba I


species: Ag Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ru W


species: Cd Rh


species: Cr Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ag Zr


species: La W

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: Cd Mn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: La Pt

species_pp: La Pt

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mo Re

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ru Y

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cd Zr


species: Mg Sb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ta Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf V


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


crystal_class_orig: dihexagonal-pyramidal


species: Hf W


species: Mo Nb


species: Ta W

Wyckoff_letters_orig: b f


species: W Zr


species: Mn Y


species: Fe Zr


species: Ru Ti


species: Sc Zn


species: Ag Au

species_pp: Ag Au

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ag Cu


species: Cr Ta


species: O Pb

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a c

Wyckoff_letters: c c c

Wyckoff_letters: a c


species: Re Ru

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Sn Ti


species: O W

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Li Mn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg O

sg:
Pbcn #60
Cmcm #63
Cmcm #63

sg2:
Pbcn #60
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: d d d

Wyckoff_letters: f g e


species: Se Zn

species_pp: Se Zn


species: Ag Rh


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Mn O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: F Te

species_pp: F Te

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: F K


species: Bi O


species: O Ru

Wyckoff_letters_orig: a a


species: In Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Sc


species: Co Os


species: Mg Sb


species: Mn Mo


species: Ca V

Wyckoff_letters_orig: c c


species: O Sc

sg:
Fmm2 #42
Fmmm #69
Fmmm #69

sg2:
Fmm2 #42
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: g f h m


species: Pd Sb


species: Mo O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Zr

Wyckoff_letters_orig: j j j

Wyckoff_letters_orig: c j

Wyckoff_letters: j j j

Wyckoff_letters: c j


species: F Mn


species: Ag V


species: Hg Ti


species: O W

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: Nb O

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4

aflow_prototype_params_list_relax: a c/a z4


species: Co O


species: B Ni

Wyckoff_letters_orig: a c f h

Wyckoff_letters: a c f h


species: Be O


species: Cr O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: h g

Wyckoff_letters: a h

Wyckoff_letters: h g


crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b b


species: Ti Zn


species: I V

crystal_class_orig: diploidal

crystal_class: diploidal


species: O Re

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Mn O

Wyckoff_letters_orig: a b b


species: Ag Bi


Wyckoff_letters_orig: g h h h

Wyckoff_letters: g h h h


species: Bi O

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Cd O

species_pp: Cd O


species: Sc Zn


species: Ag Zr


species: Co Th


species: C Ru

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O W

crystal_class: orthorhombic-pyramidal


species: Ca F

Wyckoff_letters_orig: a a a b

Wyckoff_letters_orig: a b b b c c c c

Wyckoff_letters: a a a b

Wyckoff_letters: a b b b c c c c


species: Nb Pd

Wyckoff_letters: c c


species: Hg Mn

crystal_class_orig: dihexagonal-dipyramidal


species: Mo Pt


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cs F

Wyckoff_letters_orig: b a


species: Co O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr O

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a a a a


species: Ga Ta

Wyckoff_letters_orig: b k

Wyckoff_letters: b k


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: P V


species: Ca Cr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c e f f f

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: c e f f f


crystal_class_orig: ditrigonal-scalahedral


species: Co Li

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: F Mg


species: O V


species: Re V

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: Cd Cu

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Sm Te

crystal_class: hexoctahedral


species: F Ti

Wyckoff_letters_orig: a a

crystal_class: ditetragonal-dipyramidal


species: Cr V


species: Mg O

Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a h i

Wyckoff_letters: i i j


species: Cd Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: I Ti

Wyckoff_letters_orig: e e e


species: Nd O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: a e f f f


species: Ag W


species: Y Zn


species: Fe O


species: Mn O

Wyckoff_letters: e e e


species: Cu K


species: O Tb

Wyckoff_letters_orig: a d g h


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Cu O

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

crystal_class: orthorhombic-bipyramidal


species: Cu F


species: Fe Mg

Wyckoff_letters_orig: a c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a c


species: Bi O

crystal_class_orig: monoclinic-domatic

crystal_class: monoclinic-prismatic


species: Ag Mo

crystal_class_orig: ditetragonal-dipyramidal


species: Rh Y


species: Li Mn


species: Co O

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: c f f


species: Hg La

species_pp: Hg La


species: O Ru

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: c d e f k k

Wyckoff_letters: f f f k


species: O Zr

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Hg Re


Wyckoff_letters_orig: c d d


species: V Zr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d


species: Mg O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

crystal_class_orig: orthorhombic-bipyramidal


species: Co F

species_pp: Co F

sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c


species: Ir O

species_pp: Ir O


species: I Tc


Wyckoff_letters_orig: e f


species: O W

crystal_class_orig: hexoctahedral


species: Os Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd O


species: Cl Ta

Wyckoff_letters_orig: i i j


species: O Ti

crystal_class_orig: tetragonal-trapezoidal


species: I Pd

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ca Cu

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hf Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu V


species: Cu O

Wyckoff_letters_orig: i i


species: Ni O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c e j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c e j


species: F Mn

Wyckoff_letters_orig: e e e


species: Li V


species: Cu Zn


species: Ca Mn

Wyckoff_letters_orig: a l


species: Hf Ti


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Zr

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Co F


species: I Ta


species: Cr Li


species: I V


species: Ag Ba


species: Cd O

crystal_class_orig: orthorhombic-pyramidal


species: F Fe


species: Ca F

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e


species: Pb Se


species: Mn Os

Wyckoff_letters_orig: a c


Wyckoff_letters: e e


species: Mg O


species: I Mg


species: Cr O


species: Co Fe


species: F Mg


species: Hf Ta

sg2:
Pmmn #59
Pmmn #59
Immm #71

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca Pb


species: Co Mn


species: Cr Mo


species: Cr W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Ti


species: Mn Mo

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: V Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Co Zn

species_pp: Co Zn


species: Cr Fe


species: Cr V


species: Cu Mo

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Ni


species: Cu V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn W


species: Mn Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Ni W


species: Ni Zn


species: Ti Zn


sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: W Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cl Pb

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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

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


species: Ca Cl


species: Cs F


species: Hg Rb

Wyckoff_letters_orig: a c e k

Wyckoff_letters: a c e k


species: Hg K

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: Hg Li


species: Hg Mg

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


crystal_class: ditrigonal-dipyramidal


species: Cs Li


species: K Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cl Nb

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 Pb


species: Hg Se

species_pp: Hg Se

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: Ce O

species_pp: Ce O

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


species: Er Nd


species: Cu Eu


species: Mn Pm

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Pr V


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F Ta

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Fe Nd


species: Cu Pm

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Eu Tb


species: Eu Zn

species_pp: Eu Zn


species: Fe Sm


species: Pm Ti


species: Pr Zn

species_pp: Pr Zn


species: Tb Ti


species: Cd I

species_pp: Cd I


species: Co I

species_pp: Co I


species: I Si

species_pp: I Si

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e e e

Wyckoff_letters: e e


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I In


species: I Rb


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Cd Tc


species: Fe Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo Re


species: Ni Os

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Rh Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ru W


species: Cr La

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Rh Tc


species: Hg Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe Os


species: Cd Cs


species: Cd Nb


species: Ir Os

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Pm Sm


species: Sc Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd La

species_pp: Cd La

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Pr Ti


species: Hf Sc


species: Hg Mn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Rh Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Re Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca I

Wyckoff_letters_orig: b g


species: Cr I

sg:
Cmce #64
Pmma #51
Cmmm #65

sg2:
Cmce #64
Cmce #64
Cmce #64


species: I Mg

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


sg:
Pnma #62
Pnma #62
Pnma #62


species: I Ni


species: Be I


species: Ba I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: d b i


species: Hg I

species_pp: Hg I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: Ru Sc

crystal_class_orig: dihexagonal-dipyramidal


species: Cu I

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: I Zn

species_pp: I Zn

crystal_class_orig: diploidal

crystal_class: diploidal


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au F

species_pp: Au F

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: a e

Wyckoff_letters: e e e e


species: Cr Rh


species: Hf Mo

Wyckoff_letters_orig: c d e


species: Ni Y


species: Cd Cu


species: Re Y

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Fe Y

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Re Zn


species: Cd Mo


species: La Zn

species_pp: La Zn


species: Cs Se


species: Ta W


species: Au Cd

species_pp: Au Cd

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd Fe

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


species: Fe Re


species: Hf Ta

Wyckoff_letters: c d e


species: Hf Zr

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Mo Nb


species: Nb V


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ti W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Ru


species: Cd Ni

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: La Ti


species: Co Os


species: W Y


species: Ce V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ir V


species: Hg Nb


species: O Ti

Wyckoff_letters_orig: m m m n n n

Wyckoff_letters_orig: b c m n

Wyckoff_letters: m m m n n n

Wyckoff_letters: b c m n


species: O Pt

species_pp: O Pt


species: F V


species: K Li


species: Y Zn


species: Ir Pd


species: Nb O


species: O Tc

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b

Wyckoff_site_symmetries: mmm mmm mmm 2mm

Wyckoff_site_symmetries: mmm mmm

aflow_prototype_params_list_relax: a b/a c/a x6


species: Co O

species_pp: Co O


species: Fe Li


species: Br Ni


species: Au Ni

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

Wyckoff_letters_orig: a l


species: O V

Wyckoff_letters_orig: d d


species: F Ti

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

Wyckoff_letters_orig: a b c c

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

Wyckoff_letters: a b c c


species: O Zn

species_pp: O Zn

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Ca Mn

crystal_class_orig: ditetragonal-dipyramidal


species: Li Ni

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe I


species: I Mn


species: F Sr

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hf Tc


species: K O

crystal_class_orig: trigonal-trapezoidal


species: F V

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: Fe Sc


species: I V


species: O Si

species_pp: O Si

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a h i

Wyckoff_letters: a h i


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: S V

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Dy S

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i

Wyckoff_letters: d i i i

Wyckoff_site_symmetries: 2/m m m m


species: Os Y


species: Ag Mn


Wyckoff_letters_orig: e e


species: F Ni

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: O Pr

species_pp: O Pr


species: O Pt

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: As Lu

species_pp: As Lu

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal


species: Cr Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: Li Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ce Pt

species_pp: Ce Pt

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ga Si

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: b c d e e i i i i

crystal_class: tetrahedral

Wyckoff_letters: b c d e e i i i i


species: Mn Ta

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c e


species: Fe Nb

crystal_class: orthorhombic-bipyramidal


species: Ag Au

species_pp: Ag Au

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Os Pd

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Fe Li

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Li Ti


species: Nb O


species: As Sm


species: O Rb

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: O Sr


species: Li Mg


species: F V

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Cr W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Sc


species: Au Mo


species: Cu Li


species: I Zn


species: Ca Ge


species: Cr Sc


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: F Mn

crystal_class_orig: dihexagonal-pyramidal


species: Cd Cr


species: Ni O


species: Bi Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd W

crystal_class_orig: ditrigonal-dipyramidal


species: Er Ir

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Nb Ni


species: O Os

Wyckoff_letters_orig: c f


species: Co O

Wyckoff_letters_orig: a f h


species: Fe Rh


species: B Re


species: Cr F

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: d a


species: O Sn

species_pp: O Sn

Wyckoff_letters: c f


species: Hg Tc


species: Ca Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mn O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c


species: Rh Ru

crystal_class: dihexagonal-dipyramidal


species: Pb Se

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: e e

Wyckoff_letters: b a e e e


species: Co K

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ge S

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: Pt Th


species: O Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: O Rh


species: Ca Ni


species: Rh Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd O


species: Cu F

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Pt


species: Li Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co O

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters: c d d

Wyckoff_letters: d d d d d d


species: Ca O


species: Ca V


species: Nb Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: La Nb


species: Cr La


species: Li V


species: F Gd

species_pp: F Gd

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Se Sn

species_pp: Se Sn


species: Mn Ti


species: Tc V


species: W Zn


species: Al H

species_pp: Al H

Wyckoff_letters_orig: c f g h

Wyckoff_letters: c f g h


species: Ni O


species: Cu O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a h


species: Hg Sc


species: Cu Li

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: I Te

species_pp: I Te

Wyckoff_letters_orig: c f i

Wyckoff_letters: c f i


species: Ag Fe

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Ga Sc

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: g h i j

Wyckoff_letters: i j

Wyckoff_letters: g h i j


species: Co O

sg2:
Pbcm #57
Pbcm #57
Pbcm #57


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Bi Th


species: F Mn


species: Ca Mg

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O V


species: Li Mg


species: Pb Se

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Nb Zn


species: O Tc

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


species: Ca I


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Nb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr K


species: Cd O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: S Sn

species_pp: S Sn


species: Ca Co


species: Bi Ti


species: Mo Zn


species: Ge Te


species: Ag Y


species: Fe O


species: Mn Rh


species: La W


species: Cr O


species: As Nb

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: a c i i i i i i

Wyckoff_site_symmetries_orig: 2/m 2/m m m m m m m

Wyckoff_letters: i i i i

Wyckoff_letters: a d i i i i i i

Wyckoff_site_symmetries: 2/m 2/m m m m m m m


species: Ta Y


species: O Sr

Wyckoff_letters_orig: a f h


species: Co F

species_pp: Co F

Wyckoff_letters_orig: b f i

Wyckoff_letters: b c k


species: Co Mg


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Os Zr


species: Mg Nb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ca Pb


species: Co Cr


species: Cr Fe

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cu Fe


species: Fe Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Mn Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Ti


species: Mn W


species: Mo Ni

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ni Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co Ni


species: Cr Cu

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Mn


species: Cr V


species: Cu Mn

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cu W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe Mo


sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Fe V

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Mn V


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo V


species: Mo W


species: Ni V

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: V Zn


species: Cl Ta


species: Cl Nb

Wyckoff_letters_orig: c c c c d d d

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c d d d

Wyckoff_letters: c c


species: F Nb

Wyckoff_letters_orig: a a


species: Hg Mg


species: Hg Ho


species: Hg Li

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


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: Ca Cs


species: Li Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mg Ta


species: Nb Rb


species: Ca Ta

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Pb Ta


crystal_class_orig: dihexagonal-dipyramidal


species: Cs F


species: O Sm


species: Ho Yb


species: Er Ho


species: Er Ti

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ce V


species: Dy Eu

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Er Ni


species: Ho Mn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Sm V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I In

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ba I


species: Cd I

species_pp: Cd I


species: Ga I


species: I Rb


species: Cd O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b b b


species: Cd Re

crystal_class_orig: ditrigonal-scalahedral


species: Nb Ta


species: Re Ru


species: Ni Sc


species: Ti Yb

Wyckoff_letters_orig: a c


species: Cr Pt


species: Mn Sc


species: Rh Zr


species: Cl W

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hf W

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ag Fe


species: Al O

species_pp: Al O


species: Cr Hf

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: O Pb

crystal_class_orig: ditetragonal-dipyramidal


species: Cu Rh


species: Mn Y

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters: a c


species: Ca I


species: Co I

species_pp: Co I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr I

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e


species: Fe I

crystal_class_orig: hexagonal-trapezoidal


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: I Ni

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a


species: Be I

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


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: I Rb


species: I Zr

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: Ag I

species_pp: Ag I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n


Wyckoff_letters_orig: a a

Wyckoff_letters: b a


species: I In

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: I Sn

species_pp: I Sn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class: tetragonal-scalenoidal


Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Ba I

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cu I

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: I Zn

species_pp: I Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: c e


species: Al I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: I Sr

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


crystal_class: ditetragonal-dipyramidal


species: Au Rh


species: Cd Co

species_pp: Cd Co


species: Cu Pd

crystal_class_orig: hexoctahedral


species: Cu Pr


species: Os Pt


species: Hg Pt

species_pp: Hg Pt

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Ag Ti


species: Mn Nb

Wyckoff_letters_orig: a d

crystal_class: hexoctahedral

Wyckoff_letters: a d


species: Mn Y

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Pd Rh


species: Cd Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Pt

species_pp: Co Pt

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b c


species: Sb Si

species_pp: Sb Si

Wyckoff_letters: c d e


species: Ag Re


species: Mo Si


species: Re Ru

Wyckoff_letters_orig: c e


species: Fe Os

crystal_class: ditrigonal-scalahedral


species: Gd Nd

species_pp: Gd Nd

crystal_class: dihexagonal-dipyramidal


species: Hf W


species: Hf Zn


species: Ir Rh


species: Pt W


species: Mo Ta


species: Nb W

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: W Zr


species: Hf Mo


species: Ir W


species: Nb V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class: ditrigonal-dipyramidal


species: Rh Sc


species: Ta Tc


species: Tc Ti

crystal_class_orig: dihexagonal-pyramidal


species: La Ru


crystal_class_orig: dihexagonal-dipyramidal


species: Rh Tc

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ce V


species: Hf Ni


species: Mo Sc


species: Sc Si


species: Re Sc


species: Fe Te


species: Co W


species: Eu Tl


species: Nb O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters: g g


species: I Mn

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


species: Co Li


species: O Pt

species_pp: O Pt

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: O Ru

crystal_class_orig: ditetragonal-dipyramidal


species: I V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au Sc

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O W

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: F Nb

Wyckoff_letters_orig: i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: i j


crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j k l l

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j k l l


species: Ba S


species: Cr F

Wyckoff_letters_orig: d b i

Wyckoff_letters: e b

aflow_prototype_params_list_relax: a b/a c/a alpha beta gamma


species: I Tc


species: Ho Si

Wyckoff_letters: d g


species: Li O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

crystal_class: tetragonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: b b b b


species: O Tb


species: F V

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Ir W


species: In O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ni O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: Ir Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Tc


species: Ca O

crystal_class_orig: ditrigonal-scalahedral


species: Ca F


species: Mo O

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a c g g

Wyckoff_letters_orig: b g g g g g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: a c g g

Wyckoff_letters: b g g g g g g


species: Al Ti


species: O Zr


species: Mn Mo

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Cd O

species_pp: Cd O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: c c

Wyckoff_letters: a b c c c c


species: Cu Fe


species: Cd Fe


species: I Li


species: Ir O

species_pp: Ir O


species: Ca Cr


species: Co Zr


species: O W


species: Li Ni


Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


species: Cu Mg


species: Cd Y

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: F V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: B Fe


species: H Sn

species_pp: H Sn

Wyckoff_letters_orig: b b c

Wyckoff_letters: b b c


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Y Zr

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: Cr O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m m


species: O Sn

species_pp: O Sn


species: Nb O


species: Cr Mn


species: Au Co

species_pp: Au Co


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Li


species: I Ti


species: N Rh

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mg Se


crystal_class_orig: ditrigonal-dipyramidal


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Rh Ta

crystal_class_orig: tetrahedral


species: Ni S


species: B Os

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Lu S

species_pp: Lu S

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Sn Te

species_pp: Sn Te

crystal_class: ditetragonal-dipyramidal


species: I Mn

crystal_class: orthorhombic-bipyramidal


species: Mn Ni

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Cu Ir


species: Li Mg

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ni Ti


species: B Mg

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: K Li

crystal_class_orig: tetragonal-dipyramidal


species: Co Li


species: Ca Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Li


species: Te Y

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c c c c


species: F Fe

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ca O


species: O Si

species_pp: O Si

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

Wyckoff_letters_orig: f f f f f f

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

Wyckoff_letters: f f f f f f


species: Pb Se

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: Ac Br

species_pp: Ac Br

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Mo Zr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr K

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: a a b b

crystal_class: tetrahedral

Wyckoff_letters: a a b b


species: O V

crystal_class_orig: orthorhombic-pyramidal


species: Rh Tc

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Co Ir

species_pp: Co Ir

crystal_class: ditrigonal-scalahedral


species: Au Pt

species_pp: Au Pt

crystal_class: dihexagonal-dipyramidal


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mg O

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: Hf Y

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Au Gd

species_pp: Au Gd


species: F Sb

species_pp: F Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: C N

species_pp: C N

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ir Te

species_pp: Ir Te

crystal_class_orig: ditrigonal-scalahedral


species: Tc W


species: Ni S


species: Si Ta


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F Sm

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Tb

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Pt Ta


species: I Tc

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: In Ti

Wyckoff_letters_orig: e e i

Wyckoff_letters_orig: e e f g i

Wyckoff_letters: e e i

Wyckoff_letters: e e f g i


species: Ni O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: Ca Co


species: In Mg


species: Ca Li


species: Ca I


species: Ca O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O W


species: Fe I

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: Cd O


species: Co Pt

species_pp: Co Pt


species: Li Ni


species: Cr F


species: Ho In

Wyckoff_letters_orig: b k

Wyckoff_letters: b k


species: Nb O

Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a h i

Wyckoff_letters: i i j


species: Cr Nb

Wyckoff_letters_orig: g h


species: Au Ge

Wyckoff_letters_orig: c h h h h h h i i

Wyckoff_letters: c h h h h h h i i


species: C Ir

species_pp: C Ir

Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: Mo Ti

Wyckoff_letters_orig: a f


species: I Nb

aflow_prototype_params_list_relax: a c/a z2


species: Cd Pt

species_pp: Cd Pt


species: Li V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O V

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b


species: O Ta


species: Mo W


species: Co Fe

aflow_prototype_params_list_relax: a c/a x2


crystal_class_orig: dihexagonal-pyramidal

aflow_prototype_params_list_relax: a c/a


species: Co Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co V


species: Cr Cu


species: Cr V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Zn


species: Cu Mo


species: Cu Ni


species: Fe Mn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe W


species: Mn Ni


species: Mn V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mn Zn

Wyckoff_letters: c e d


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ni Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Cu


species: Cu Fe

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Fe V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Se

species_pp: Hg Se

crystal_class: ditrigonal-dipyramidal


species: Hg Ho


species: Hg In

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Hg K


species: Hg Rb


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hg S

species_pp: Hg S


species: Ca Nb


species: K Nb


species: K Rb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mg Rb


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Pb

Wyckoff_letters: a d


species: Nb Rb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Hg Li

Wyckoff_letters_orig: a d

aflow_prototype_params_list_relax: a c/a x3


species: Cl Nb


species: O Sm


species: Cr Sm


species: Co Er


species: Mn Yb


species: Ho Tb


species: Mn Nd


species: Nd V


species: Pm V


species: Tb V


species: Ag I

species_pp: Ag I

crystal_class: orthorhombic-pyramidal


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cs I


species: Ge I

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


species: I Ni


species: I Sb

species_pp: I Sb


species: Cd Nb


species: Cr Rh

crystal_class_orig: ditrigonal-dipyramidal


species: La Nb


species: Mn Tc


species: Mo Os


species: Ni Y


species: Rh Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Au Tc


species: Pt Zr


species: Ta V


species: Ti Zr


species: Cr Zr


species: Ir Pd


species: Mn Re


species: Pd Rh

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pt Tc


species: Rh Zr


species: Ag Ta


species: Au Cu


species: Ir Mo


species: Pd Zn


species: Zn Zr


species: Cr Pd


species: Cr Ru


species: Cu Hf


species: Ag Re


species: Ag Ir

species_pp: Ag Ir


species: Ta Zr


species: Co Zr


species: Ca I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Co I

species_pp: Co I

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cr I

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe I

Wyckoff_letters_orig: m n

Wyckoff_letters: m n


crystal_class_orig: hexoctahedral


species: I K


species: I Li


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Mg

Wyckoff_letters_orig: e f


sg:
Pnma #62
Cmcm #63
Pnma #62


species: I Ni

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c e

Wyckoff_letters: b c d


Wyckoff_letters_orig: b c


crystal_class: dihexagonal-pyramidal


species: I Si

species_pp: I Si

Wyckoff_letters_orig: c e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c e


species: I In

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f


species: Hg I

species_pp: Hg I

crystal_class: orthorhombic-bipyramidal


species: Nb Ni


species: Ni Tc

crystal_class_orig: dihexagonal-dipyramidal


species: Cu I

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Ag Os


species: Nb W

crystal_class: hexoctahedral


species: Cd Pd

Wyckoff_letters: b c


species: Ag Zr


species: Ag Tc


species: Hg O

species_pp: Hg O

Wyckoff_letters: b a


species: La Ru


species: Au Cu


species: Hf Hg


species: Hf Ti


species: Ir Zn

species_pp: Ir Zn


species: Mn Re


species: Os Ta


species: Al Nb


species: Au Re

aflow_prototype_params_list_relax: a b/a c/a x2


species: Au W

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Nb V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h

aflow_prototype_params_list_relax: a c/a z3


species: Nb Zr

crystal_class_orig: tetrahedral


species: W Zr

Wyckoff_letters_orig: a i

Wyckoff_letters: a f

aflow_prototype_params_list_relax: a b/a c/a x3


species: Fe I

Wyckoff_letters_orig: c d


species: Co Hf

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Sb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Re Rh


species: Ag Pd


species: Cr Sc


species: Hg Rh


species: Ce Fe

Wyckoff_letters_orig: a c


species: Hf La

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: La Mn


species: F V

Wyckoff_letters_orig: e g i

Wyckoff_letters: e g i


species: O Zr


species: Co K

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ge S

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: I V

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: I Zn

species_pp: I Zn


species: O Os


species: Cr O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O W

crystal_class_orig: orthorhombic-pyramidal


species: Cl Pt

species_pp: Cl Pt

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: F Mn

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Nb


species: Br Th


species: O Si

species_pp: O Si

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a d g


species: F Ti

Wyckoff_letters_orig: a b g g


species: B Li


species: N Pd


species: F Hg

species_pp: F Hg

crystal_class_orig: ditetragonal-dipyramidal


species: Cr Hg


species: Mn O

Wyckoff_letters: c d


species: Fe Mg

crystal_class_orig: ditrigonal-scalahedral


species: Ir O

species_pp: Ir O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: c h


species: Co K


species: I Ni


species: O V

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Bi Ti


species: Fe I

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


species: Cu K

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Fe

crystal_class_orig: orthorhombic-bipyramidal


species: Cu Ru

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: h h i

Wyckoff_letters: h h i


species: O Tl


species: O Sn

species_pp: O Sn

crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal


species: K Mg

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Hf La

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cd V

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


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


species: Co O

species_pp: Co O

crystal_class: tetrahedral


Wyckoff_letters_orig: a h


species: Ca Ni


species: I Tc


species: Nb O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Ge W


species: Au V

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c c


species: O Zn

species_pp: O Zn


species: B N

crystal_class: dihexagonal-dipyramidal


species: Hg Sr


species: Al Ho

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c c

Wyckoff_letters: d g f


species: F Zn

species_pp: F Zn


species: Ca O


species: Bi Ce


species: Ru Y


species: H Y

Wyckoff_letters_orig: c f


species: Cu Mg


species: Cr K


species: O Tc

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: a e


species: O Sr

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: F Fe

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: O Sc

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e


species: Ag Zn

species_pp: Ag Zn

crystal_class_orig: dihexagonal-pyramidal


species: O V

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Pd Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au Y


species: S Zn

species_pp: S Zn

crystal_class_orig: diploidal


species: Li Ni


species: Ba O

Wyckoff_letters_orig: h n

Wyckoff_letters: h t


species: Cr Li


species: Hf La

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters: c c


species: Mn O


species: Hf Y


species: I Nb


species: O Ti


species: Fe O

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a


species: Ta V


species: Ca Tc


species: Co Mn

crystal_class_orig: monoclinic-prismatic


species: Ir O

crystal_class_orig: hexoctahedral


species: F Mg

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Cu Ta

crystal_class_orig: ditrigonal-dipyramidal


species: Ag Bi


species: H Nd

species_pp: H Nd

Wyckoff_letters_orig: e f f f

Wyckoff_letters: e f f f


species: F Sn

species_pp: F Sn


species: Ca Ti

crystal_class_orig: dihexagonal-dipyramidal


species: Au Mn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: I Mn

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: F Tl


species: F Ni

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f

Wyckoff_letters: e e


species: I Ta

crystal_class_orig: hexagonal-trapezoidal


species: Ca O

crystal_class_orig: tetrahedral


species: Cr O

Wyckoff_letters: f f


species: O Sr


species: Rh Y

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Au Re

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Ca Tc

crystal_class_orig: ditetragonal-dipyramidal


species: Fe I

crystal_class_orig: ditrigonal-scalahedral


species: Ca Cu


species: F Mn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b b

Wyckoff_letters: a b b b


species: I Tc

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Rh Si

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i


species: Li Mg


species: Ir Mg

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: P Y


species: Hf V

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

sg2:
Pnnm #58
Pnnm #58
Immm #71

crystal_class_orig: orthorhombic-bipyramidal


species: Bi Ho


species: Fe Mn


species: Cr Li


species: Pd V

Wyckoff_letters_orig: c i


species: F Ni

Wyckoff_letters_orig: e f


species: Nb O


species: C Ir

species_pp: C Ir

Wyckoff_letters_orig: e e


species: Co K


species: Ge O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a


species: Cr F

sg:
Pnma #62
Pmmn #59
Pmmn #59

sg2:
Pnma #62
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: c d

Wyckoff_letters: b e


species: O Ti

Wyckoff_letters_orig: h i


species: Fe S

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: c f

crystal_class: rhombohedral

Wyckoff_letters: c f


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O W

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

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

crystal_class: monoclinic-prismatic

Wyckoff_letters: g g g g a g g g g g g g

Wyckoff_letters: g g g g


species: Bi O

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Ca Mg


species: K Li


species: Co F

species_pp: Co F

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Er N


species: O Re

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a


species: F Rb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a


species: Hf Sb

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g g


species: O Sn


species: Os Rh


species: As Rb

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: h m

Wyckoff_letters_orig: f g

Wyckoff_letters: h m

Wyckoff_letters: f g


species: Fe N

Wyckoff_letters_orig: e h h i

Wyckoff_letters: e h h i


species: Li V

sg:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: O Rb

sg2:
Cmcm #63
Immm #71
I4/mmm #139


species: Ca Pb


Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: K Pb

sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pb Rb


species: Cr Ni


species: Ti Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co Cr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co Cu

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Fe

sg:
Pnma #62
Pnma #62
Pnma #62


species: Cr V


species: Cu V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe Ni

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Fe V

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


species: Fe Zn


species: Ni W


species: Co Zn

species_pp: Co Zn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cr Cu


species: Cu Mn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu Mo


species: Cu W


species: Fe Mo


species: Fe Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mn Mo


species: Mo Ti

crystal_class_orig: dihexagonal-pyramidal


species: Mo V


species: Ti Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: V W


species: Cl Mg

Wyckoff_letters_orig: c d d d d

Wyckoff_letters_orig: a c d

Wyckoff_letters: c d d d d

Wyckoff_letters: a c d


species: Cl Ta

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: F Ta

crystal_class_orig: monoclinic-prismatic


Wyckoff_letters_orig: a d g

Wyckoff_letters: a c k

aflow_prototype_params_list_relax: a c/a x4


species: K Ta


species: Li Nb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Li Rb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cl Nb

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

Wyckoff_letters_orig: c c c b b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c b b


species: O Pb

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Cu Nd


species: Fe Ho


species: Ho Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ce Pm

species_pp: Ce Pm


species: Ho Sm


species: Ho V


species: Cl Rb


species: Mn Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Ce Dy

crystal_class: ditetragonal-dipyramidal


species: Cl Pb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Fe Nd


species: Cu Ho


species: Ce Fe

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Dy Ti


species: Ho Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: I Pb

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: Cd I

species_pp: Cd I


species: Co I

species_pp: Co I


species: Cs I

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: I Sb

species_pp: I Sb


species: Nd Ni