species: Al Zr

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d f g

Wyckoff_letters: d f g


species: Cd O

species_pp: Cd O

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

point_group_type_orig: centrosymmetric

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_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

point_group_type: centrosymmetric

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

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Bi O

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

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: g i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

aflow_prototype_params_list_relax: a c/a x2


species: Te W

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-pyramidal

point_group_type_orig: polar

point_group_structure_orig: dihedral

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: a a a a

Wyckoff_letters_orig: a a

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-pyramidal

point_group_type: polar

point_group_structure: dihedral

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

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: a a a a

Wyckoff_letters: a a


species: Au O

species_pp: Au O

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_superlattice_lattice_type_orig: ORCF

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_superlattice_lattice_type: ORCF

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: O Rb

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b

Wyckoff_letters: a b c


species: Li Pb

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a c

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

Wyckoff_letters: a c


species: Co Cu

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Cr Zn


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Mo

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: RHL

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Cu Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu V

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: Cu Zn

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe Mn

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_type_orig: enantiomorphic

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: Fe Mo

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Fe Ni

point_group_structure_orig: symmetric


species: Fe Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn Ti


species: Mo W


species: Ti Zn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: V Zn


species: Cr Cu

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Fe

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr V


Wyckoff_letters: c d e


species: Cu Ti

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: c f

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: c f


sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu W

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

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


species: Fe V


species: Fe W


species: Mn Mo


species: Mo Ti


species: Ni Zn


species: Ti V


species: Fe Mn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC


species: Hg In

Wyckoff_letters_orig: b h

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Hg K


species: Hg Mg

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hg Se

species_pp: Hg Se


species: Hg Yb

species_pp: Hg Yb


species: Ca Cs


species: Ca Rb


species: Ca Ta


species: Li Ta

Wyckoff_letters: g f


species: Mg Rb


species: Mg Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Pb Ta


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Pb

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e e

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e e


species: Cl Nb

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d e f g g

Wyckoff_letters_orig: f g

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Wyckoff_letters: d e f g g

Wyckoff_letters: f g


species: Ce O

species_pp: Ce O


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e i j

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e i j


species: Ho Ti


species: Nd Sm


species: Cu Gd


species: Co Pm

species_pp: Co Pm

Egap_DOS_type: metal


species: Co Tb


species: Cu Pm

aflow_prototype_params_list_orig: a c/a x2


species: Eu Zn

species_pp: Eu Zn


species: Ho Mn


species: Al I

species_pp: Al I

Egap_DOS_type: insulator

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF


species: I Pb


species: Ag I

species_pp: Ag I

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ge I

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


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: Ce Mn


species: Fe Nb


species: Hf Mo


species: Hf Zr


species: Os Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Pt

species_pp: Co Pt


species: Ir W


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c


species: Os Ta

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Au Cd

species_pp: Au Cd


species: F Sm

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Fe Sc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hg Re

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hg Tc


species: La Mo


species: Ag Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pd Zn


species: Ca I


species: Co I

species_pp: Co I

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr I

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: I K


Wyckoff_letters_orig: g h

Wyckoff_letters_orig: d h

Wyckoff_letters: g h

Wyckoff_letters: d h


species: I Li

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: c e


species: I Mg

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

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


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: I Ni

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: I Zr

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: e e e e

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m m m

Wyckoff_site_symmetries: m m


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

point_group_type: enantiomorphic

Wyckoff_letters: a a a a


species: Ag I


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I In

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I Sn

species_pp: I Sn


species: Hg I

species_pp: Hg I


species: La Os

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: La Ti


species: Sc V

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Cu I


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Zn


species: Ga I

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Au La

species_pp: Au La

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Pt Zr


species: Hf Pd


species: Nb Ni


species: Co O

species_pp: Co O

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Os V

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Ag Tc


species: Cd Ni


species: Co Gd

species_pp: Co Gd


species: Hf Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: Hg Mo

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: c d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d e


species: O V

Egap_DOS_type: half-metal


species: Ag Ru


species: Hf V

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Mo Ta


species: Ti Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: V Zr


species: Cd Re


species: Hf Ta

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

crystal_class: orthorhombic-bipyramidal


species: Nb Zr


species: Ta Ti


species: Ta V

crystal_class: hexoctahedral


species: Mn Sc


species: Os V


species: Ca Cl


species: Ho Yb


species: La Sc


species: Co Y


species: Hf Ir


species: Au Y


species: Ag Nb


species: Cd Ni


species: Cu Eu

crystal_class: ditrigonal-dipyramidal


species: Sn Ti


species: I Tc


species: Mo Ta

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Cl H

species_pp: Cl H


species: Ca Cr

crystal_class: ditrigonal-scalahedral


crystal_class: tetrahedral

Wyckoff_letters: c e d


species: O Zr

crystal_class_orig: monoclinic-prismatic

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Cu O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Ag Cd

species_pp: Ag Cd

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Pt

species_pp: O Pt

point_group_Schoenflies: T

point_group_structure: alternating


species: Ge Se


species: Fe I


species: Ag Rh


species: O V

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


species: Cr Li


Wyckoff_letters_orig: a e


species: Dy Ga


species: As Pd

Wyckoff_letters_orig: g i i j

Wyckoff_letters: g i i j


species: Cu Li


crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: O Tb

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a d g


species: B N


species: Au Sn

species_pp: Au Sn

sg:
Ccce #68
Ccce #68
Ccce #68

sg2:
Ccce #68
Ccce #68
Ccce #68

crystal_class_orig: orthorhombic-bipyramidal


species: Mg Te


crystal_class_orig: hexoctahedral


species: Ca Ti

crystal_class_orig: ditrigonal-dipyramidal


species: Nb O


crystal_class_orig: ditrigonal-scalahedral


species: H Ti

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a b c c f f

Wyckoff_letters_orig: d e

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a b c c f f

Wyckoff_letters: d e


species: Li O


species: Pb Te


species: I V


species: C Fe


species: Ru Zr


species: Ni Ta


species: Ca Ni


species: Cr O

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: Li Mg

crystal_class_orig: tetrahedral


species: Li Mn


species: La O

species_pp: La O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56


species: Mn O

crystal_class_orig: triclinic-pinacoidal

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i i

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

crystal_class: triclinic-pinacoidal

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i i

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


species: Hg O

species_pp: Hg O

Wyckoff_letters_orig: a f h

Wyckoff_letters: a f h


species: O Ta

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e e


species: Ag Al

species_pp: Ag Al


species: Eu O

species_pp: Eu O

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: O Sc

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c c c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c c c


species: Cl Fe


species: I Nb


species: Hg Y

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cu O

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 Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: As W

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m


species: Co Zn

species_pp: Co Zn


species: Bi Cs

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca Li

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


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: O Tc

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a h g


species: B C

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a b b b b

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a a b b b b

Wyckoff_letters: a a a


species: Fe Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co F

species_pp: Co F

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a b

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a b

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


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters: g g


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: a b


species: O Tl

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


crystal_class_orig: ditetragonal-dipyramidal


species: Cr Rh


species: Li Zn

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: O Sn

species_pp: O Sn


species: O Zn

species_pp: O Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: Ni Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Mn

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e e

Wyckoff_letters: a c


species: Cr W

crystal_class: ditetragonal-dipyramidal


species: Ag Hg

species_pp: Ag Hg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mg O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Co Zr


species: Re Rh

sg:
Pnma #62
P4/nmm #129
Pmmm #47

sg2:
Pnma #62
Pnma #62
Imma #74

crystal_class_orig: orthorhombic-bipyramidal

aflow_prototype_params_list_relax: a b/a c/a z2


species: Mn W

crystal_class_orig: hexoctahedral


species: Co O

species_pp: Co O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: K O


species: Cr F

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr O

Wyckoff_letters_orig: a c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a c c


species: Ca Co

crystal_class: hexoctahedral


species: O V

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

Wyckoff_letters_orig: i i i i

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: Ag Zr


species: Ca O


species: Pt Zr

crystal_class_orig: diploidal


species: F Ti


Wyckoff_letters: i i i i

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


species: Mo Sc


species: Cu Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Mg


species: Mo O


species: F Ni

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Co Mg


species: F Mn


species: I Ni


species: Ca F


species: O Ti


species: I Ti


species: Fe I


species: O Ru

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: O V

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m

Wyckoff_letters: a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m


species: Ho Tl

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: c f g

Wyckoff_letters: c e

Wyckoff_letters: c f g


species: Ca V

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: B Pt


species: F V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca K

crystal_class: ditrigonal-scalahedral


species: Ru W


Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


crystal_class_orig: monoclinic-sphenoidal


species: O W

Wyckoff_letters_orig: b c d

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c b d

Wyckoff_letters: a a


species: Li Ni


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c

Wyckoff_letters: c c c c


species: O Pt

Wyckoff_letters_orig: e e


species: Mg O

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: O Zn


species: Au V


species: Au Y


species: F Mg


species: Fe Li


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co F

Wyckoff_letters_orig: a b


species: Mn Zr


species: K Li


species: Co Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Ti


species: I Ti

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: h i

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: h i


species: Nd Te

species_pp: Nd Te


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Li Tc


species: O Rh


species: Ir Os


species: Cd F

Wyckoff_letters_orig: b b a a a a

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

Wyckoff_letters: b b a a a a

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


species: O Ta

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Se Tl

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: In Sm


species: Ga La

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c l

Wyckoff_letters: a h

Wyckoff_letters: c l


species: Cr O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Cu F


species: Cr Mg


species: I Ta

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: d d d e

Wyckoff_letters: d d d e


species: O Ti

crystal_class: diploidal


species: Fe Si

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: F K


species: B Ti

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f

Wyckoff_letters: a f


species: Ag Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Pb


crystal_class_orig: hexagonal-pyramidal


species: Pb Rb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Cr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Cu


species: Cr Mo


species: Cr Ti


species: Fe Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Zn


species: V W


species: W Zn


species: Cr Ni

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cr Zn


species: Cu Fe


species: Cu Mo


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu V


species: Cu Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Mo


species: Fe V

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn Ni


species: Mn Ti


species: Mn W

Wyckoff_letters_orig: a i

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

aflow_prototype_params_list_relax: a b/a c/a x3


species: Ni Ti


species: V Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hg Rb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Rb


species: Cs K


species: Mg Rb

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Nb

crystal_class_orig: tetragonal-trapezoidal


species: Er Ni

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: Pr Ti

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: F Nb


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


species: Pr Zn

species_pp: Pr Zn


species: Ce Co

species_pp: Ce Co


species: Ce Fe


species: Ce Zn

species_pp: Ce Zn


species: Co Er


species: Co Sm


species: Cr Tb


species: Cu Ho


species: Cu Pr


species: Cu Yb


species: Dy Yb


species: Fe Yb


species: Gd Zn

species_pp: Gd Zn


species: Ho Zn


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: c e

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: c e


species: Pm Sm


species: Tb V


species: I Ni

crystal_class: monoclinic-prismatic


species: I Pb

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal

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

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


species: Cr I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Au Nb


species: Cr Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cu Sm

crystal_class_orig: ditetragonal-dipyramidal


species: Hg Zr


species: La Zn

species_pp: La Zn


species: Os Ru

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Ta V

crystal_class: ditetragonal-dipyramidal


species: V Y


species: W Zr


species: Ag V


species: Cr Dy


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters: c e d


species: Cd Cu

crystal_class_orig: orthorhombic-bipyramidal


species: Eu V


species: Cd Co

species_pp: Cd Co


species: Ta W


species: Ir V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Pd Si


species: Sc W


species: Ce Cr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Hf


species: Hf Tc


species: Mn Os


species: Pt Re


species: Sc Ti


species: Ca I


species: Co I

species_pp: Co I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e


species: Cr I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Fe I

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: I K

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: I Li

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a a a a


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a d

crystal_class: hexoctahedral

Wyckoff_letters: a d


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

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

crystal_class: orthorhombic-bipyramidal

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_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


crystal_class_orig: monoclinic-domatic


species: I Ni

Wyckoff_letters: e e


species: Ag I

species_pp: Ag I


species: Cd I

species_pp: Cd I

sg:
Pbcn #60
Pbcn #60
Ibam #72

sg2:
Pbcn #60
Pbcn #60
Ibam #72


species: I In


species: I Sn

species_pp: I Sn


species: Ba I


species: Cu Ta


species: Ni Pt

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pt Y

Wyckoff_letters_orig: c d e


species: I Zn

species_pp: I Zn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c c

Wyckoff_letters: b c


crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: I Sr


Wyckoff_letters_orig: a a

Wyckoff_letters: a b


species: Ag Cd

species_pp: Ag Cd


species: Cu Tc


species: Nb Sc


species: Co Hf


species: Mo Re


species: Pd Zn


species: Rh Zr

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

Wyckoff_letters_orig: b l

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a b/a c/a x3


species: V Y


species: Ir Ta


species: Mo Pd


species: Nb Zr


species: Re Zn


species: Cu Hg


species: Hf Mn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Sc Zr


species: Hf W


species: Ta Zr


species: Hf Nb


species: Hf Ti


Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Hf Zr


species: Cr Pt


species: Hf Re

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cd Os

Wyckoff_letters: c d e


species: Nb W


species: Nb Os

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd Cu


species: Mo Re

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ag Bi


species: Ag Os

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Au Mo

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hg Tc


species: Ir Y


species: Ag Ta


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a b


species: Ca O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O Zn

species_pp: O Zn

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: F Mg


species: Li V

Wyckoff_letters_orig: a c


species: O W


species: O Os


species: Cr K


species: Al Co

species_pp: Al Co

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Rh

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: c c

Wyckoff_letters: a d


species: I Mg


species: Li Mn

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ca Mn

Wyckoff_letters: a c


species: Cl Tb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Ge

crystal_class_orig: diploidal


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: a k

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: k l

Wyckoff_letters: a k


species: Ir Os


species: Mn Pd


species: Co Mo


species: Co Nb


species: Fe K


species: Ca O


species: Re Rh


species: O Pb

Wyckoff_letters: c c


species: Fe Se

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

aflow_prototype_params_list_orig: a b/a c/a z2


species: I Nb

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: Fe Nb

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Mn Zr


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cu O


species: O Zr

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: Co Mg


species: Cu Mg


species: O Sc

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Fe O


species: Cu Ni

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O Pd


species: Co Mn

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Co K

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: O Yb

species_pp: O Yb


species: Bi Ti

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Nb O

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Cr O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


species: Ca I


species: O V

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Mg O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr F


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: B Ru

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O W

sg:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: K O

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: e f g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g

Wyckoff_letters: e f g g


species: In Pd


species: O Re


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: F Ni

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Hf Re

crystal_class_orig: ditetragonal-dipyramidal


species: F Hg

species_pp: F Hg


species: O Tl

Wyckoff_letters_orig: f e

Wyckoff_letters: e f


crystal_class_orig: orthorhombic-bipyramidal


species: Hf Os


crystal_class_orig: trigonal-trapezoidal


species: Bi O


crystal_class: tetrahedral


species: K Li

crystal_class_orig: dihexagonal-dipyramidal


species: Pb S


species: P Tl

Wyckoff_letters_orig: a a a b b b c c

Wyckoff_letters: a a a b b b c c


species: O Ti


species: Cu Mg

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Mo Y


species: Cu Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Li O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: F Ga

crystal_class_orig: dihexagonal-pyramidal


species: Co Hf


species: Ca Cr


species: F Ni

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: d b i

Wyckoff_letters: d b i


species: Nb O

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


crystal_class_orig: monoclinic-prismatic


species: O W

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Mn O


species: Mn W

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Nb Zr

crystal_class_orig: ditrigonal-scalahedral


species: O Sn

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i

Wyckoff_letters: d i i i

Wyckoff_site_symmetries: 2/m m m m


species: Ag Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a b b

Wyckoff_letters: a a a a b b


species: Cd Ti

Wyckoff_letters_orig: a d

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a d


species: Mn Ti

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ni O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Sn

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


Wyckoff_letters_orig: g h i

Wyckoff_letters: g h i


species: Fe O

crystal_class_orig: hexoctahedral


species: Ag La

species_pp: Ag La

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pd Zr


species: Ca V

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

crystal_class: ditetragonal-dipyramidal


species: O Ti

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Rh W


species: F V

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: F Ti


species: Nb Ru


species: O V


species: Li Mn


species: O Zr

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: I V

Wyckoff_letters: c i i i


species: Co O

species_pp: Co O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca Tc


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: F Mn

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

Wyckoff_letters_orig: b b c c c c

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

Wyckoff_letters: b b c c c c


species: O Sr

sg:
Pmm2 #25
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c f

Wyckoff_letters: a f

Wyckoff_letters: c f


species: Cu Li

crystal_class: hexoctahedral


species: In S


species: Cu O

sg2:
Pmmn #59
Immm #71
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Cr Pb

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Co Ni


species: Li Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: I Nb

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

Wyckoff_letters_orig: b b b b b b

crystal_class: dihexagonal-pyramidal

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

Wyckoff_letters: b b b b b b


species: Mo Se


species: Nb V


species: Ge Sr

Wyckoff_letters_orig: c l

Wyckoff_letters: c l


species: Ca Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: K Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Ti

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: O V

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Li Ti

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mg Pb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Br Ge

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Mo Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ni W


species: Co Cr

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Cu

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Co Zn

species_pp: Co Zn


species: Cr Ni


species: Cr V


species: Cr W

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe Mn

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Fe V


species: Mn Ti


species: Mn W


species: Mo Ni


species: V Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Co Ti


species: Cu Mn


species: Cu Ti


species: Cu V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Zn


species: Mn V

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Mn Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mo W

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mo Zn


species: W Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cl Nb


species: Hg K


species: Hg Li

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hg S

species_pp: Hg S


species: Hg Se

species_pp: Hg Se


species: Ca Nb


species: Cs Rb

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: K Nb

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Li Nb


species: Nb Pb


species: Pb Ta


species: Cs Ta


species: Cl Rb


species: Cl Li


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: Co Tb

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: O Sm


Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c

Wyckoff_letters: c c


species: Gd Ho


species: Dy Nd


species: Fe Mn


species: Ce Ti


species: Cr Er


species: Cu Er


species: Eu Zn

species_pp: Eu Zn


species: Ag I

species_pp: Ag I

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ga I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Ba I


species: I 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: Ta V


species: Cd Pt

species_pp: Cd Pt

sg2:
Immm #71
Immm #71
Immm #71


species: Ir Tc


species: Nb Pt

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Tc V


species: Mo Pt

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: W Zr

Wyckoff_letters_orig: a f


species: Fe Os

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Nb W


species: Re Zr


species: Sc Zn


species: Cu Tc


species: Hf Ir


species: Mo Tc


species: Cu La

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd Fe


species: Hg Mn

crystal_class_orig: ditetragonal-dipyramidal


species: Hg Pd


species: Ir Zn

species_pp: Ir Zn


species: Pd V

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cu Eu


species: Pt Rh


species: Ca I

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


species: Co I

species_pp: Co I


species: Cr I

crystal_class: ditrigonal-pyramidal


species: Fe I

crystal_class_orig: diploidal

crystal_class: diploidal


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

Wyckoff_letters: f f


species: I K

crystal_class: hexagonal-trapezoidal


species: I Mg

Wyckoff_letters_orig: c c


species: I Ni

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Be I


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: a a a a b

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

Wyckoff_letters: a a a a b

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


species: I In

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: I Sn

species_pp: I Sn

Wyckoff_letters: c c


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i i i i


species: Cr Nb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu La

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Pd


species: Cu I


species: I Zn

species_pp: I Zn


species: I Sr


species: Cu Ru


species: Eu O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i

Wyckoff_letters: c i i

Wyckoff_site_symmetries: 2/m m m


species: I Li

crystal_class_orig: dihexagonal-pyramidal


species: Ir Os

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal


species: La Y

crystal_class_orig: ditrigonal-scalahedral


species: Mo Ru

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Pt Re

Wyckoff_letters_orig: c d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d e


species: F Sr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e g i


species: Sc Zr


species: Au Ta


species: La W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb Pt


species: Nb Rh

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Ag La


species: Co Tc


species: Nb Sc

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Hf Mo


species: Hf Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb V


Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal


species: Ta Ti


species: Ta W


species: Ni Tc


species: Hg Rh


species: Ag Fe


species: Ag Pt

species_pp: Ag Pt


species: Fe Tc


species: Sc Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ag Rh


species: Mo Os


species: I Mg

crystal_class: ditrigonal-scalahedral


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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: O Sn

species_pp: O Sn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e

Wyckoff_letters: a e


species: F Mn

Wyckoff_letters_orig: c c c c d d d d d d

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c c c d d d d d d

Wyckoff_letters: c c d


species: O W


species: Al Ge

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: C Yb

species_pp: C Yb


species: Cu Mn


species: Ni Sb


species: O Ti


species: Co O

species_pp: Co O

Wyckoff_letters: e a


species: Mn Ni


species: Ni Zn


species: Ni V


species: In Sb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


sg:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: a a a a a a a a


species: Ni O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Ir Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: N Pd

crystal_class_orig: hexagonal-trapezoidal


species: O Ru

sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ir Ni


species: O Zr


species: Ca Fe

Wyckoff_letters: c c


species: Cd Mn


species: O Rh

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Mg S


species: O Sn

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: F Sb

species_pp: F Sb


species: O Sr

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: K Mg


species: Mo O

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Eu Te

species_pp: Eu Te


species: Co K

crystal_class_orig: ditetragonal-dipyramidal


species: Bi Ti

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Zr


species: O Si

species_pp: O Si

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: d e f g

Wyckoff_letters: d e f g


species: Cu O


species: O W


species: Ca Co


species: Al Mn

Wyckoff_letters_orig: a h k

Wyckoff_letters: a h k


species: K O


species: Cr Li


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe Mg


species: Bi O

sg2:
Pnma #62
Pnma #62
Pmmn #59

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: d e a b


species: F V

Wyckoff_letters_orig: c c c c d d d

Wyckoff_letters: c c c c d d d


species: S Tb


species: Pd Ru

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ir Sc


species: Cl Li

crystal_class_orig: diploidal


species: Mn O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Mn N


species: O Ru

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: O Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Li O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Ir Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Fe

Wyckoff_letters_orig: e f


species: Ir O

species_pp: Ir O


species: Ir Si

species_pp: Ir Si

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: O Re


Wyckoff_letters_orig: d b i

Wyckoff_letters: d a i


species: O Zr

Wyckoff_letters_orig: n m


species: Cu La

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Cd Sc

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cr K


species: F Hf


species: B Os

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: As B


species: Co Mg


species: Nb Pt


species: F Mo


species: Ca Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu F

sg:
Pbcm #57
Cmme #67
Cmme #67

sg2:
Pbcm #57
Cmme #67
Cmme #67


species: Cr Pd


species: Li Mg


species: Co Mo


species: O Rh


species: Li Zn


species: Co Hf

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr O

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Cd Ni

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr K


species: Ca O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: F Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ge N


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ni Sc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pb Te

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ni W


species: Cr Ru

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Fe H

Wyckoff_letters_orig: f g g g h

Wyckoff_letters: f g g g h


species: Li O

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ta W

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ca Mn


species: Se Sn

species_pp: Se Sn


species: Ge O


species: Cu Ni


species: Nb O

crystal_class_orig: monoclinic-prismatic


species: F Sr


species: Bi O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Ni Pt


species: Au Pt

species_pp: Au Pt

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Hf O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: Si Tc

Wyckoff_letters_orig: e j j j

Wyckoff_letters_orig: a c h i i

Wyckoff_letters: e j j j

Wyckoff_letters: a c h i i


species: Ge Tb


species: O Zr

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


species: Ni O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Os


species: Ge N

crystal_class: diploidal


species: Cu Y


species: Cu K


species: Bi Pd


species: Li O


species: H Pd

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Al Mn

Wyckoff_letters_orig: a b b b c

Wyckoff_letters_orig: a b b b

Wyckoff_site_symmetries_orig: 3m .m .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b b b c

Wyckoff_letters: a b b b

Wyckoff_site_symmetries: 3m .m .m .m


species: Au Hf

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca O

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: g g

Wyckoff_letters: a n

Wyckoff_letters: m n


species: La Sn

species_pp: La Sn

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: Pb Te

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: O W

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: a b

Wyckoff_letters: h k

Wyckoff_letters: a b


species: F Sc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O V


species: Ca Fe

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: O Sr

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a e

Wyckoff_letters: c d

Wyckoff_letters: a e


species: Mn O

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c


species: Fe O


species: In P


species: Ir Ni

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Ni W

crystal_class_orig: hexoctahedral


species: Li Mn

Wyckoff_letters_orig: h i

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h i


species: K Mg


species: Cr Cu

sg2:
Pnnm #58
Pnnm #58
I4/mmm #139


species: Mo W

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Co Ti


species: Cr Fe


species: Cr Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu Mo


species: Cu W


species: Cu Zn


species: Mn Ni


species: Mo Ti


species: Ti V


species: V W

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr V

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Cr W


species: Cu V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe Ni

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Ti


species: Mn Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Zn


species: Ni V


species: W Zn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: F Pb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: Hg Ho

Wyckoff_letters_orig: a b


species: Hg Li


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: a c


species: Ca Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Li Nb


species: K Ta


species: Hg O

species_pp: Hg O


species: Cl Mg

Wyckoff_letters: a b


species: O Sm


species: Cr Dy

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Nd V


species: Cr Tb


species: Tb V


species: Cu Mo

Wyckoff_letters: c e d


species: Pm Zn

species_pp: Pm Zn


species: Ce Gd

species_pp: Ce Gd


species: Ce V


species: Co Pr

species_pp: Co Pr


species: Dy V


species: Fe Nd


species: Gd V


species: Ni Pm


species: Sm V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cd I

species_pp: Cd I

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: I In

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Sb

species_pp: I Sb


species: Ag Ru

crystal_class: hexoctahedral


species: Mn Rh


species: Mo Sc


species: Cr Nb


species: Os Zr


species: Mo Y


species: Nb Ru


species: Tc Ti


species: Ag Hg

species_pp: Ag Hg


species: Nb Zn

crystal_class: orthorhombic-bipyramidal


species: S Th


species: Au Re


species: Cu Y


species: Hf Y


crystal_class: ditrigonal-scalahedral


species: Cr Ir

crystal_class: orthorhombic-pyramidal


species: Ni Re


species: Os Zn


species: Al O

species_pp: Al O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Co Hf

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


species: Cu Re


species: Mo Rh

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ca I


species: Co I

species_pp: Co I


species: I K

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a b c c c c


species: I Li

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: I Mg

Wyckoff_letters: f e


sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g

Wyckoff_letters: a h


species: I Ni

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: d a


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Be I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


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: I Zr

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: I In

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sn

species_pp: I Sn


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a a b b


species: I Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cr Nb


species: Cu Hg


species: Mo Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu I


crystal_class_orig: diploidal


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: 2/m m m m m


Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: c b e m

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


species: Ag Os

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Hg La

species_pp: Hg La

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Hg W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: La V


species: Y Zn


species: Au Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ir Rh


species: Rh Y


species: Ni Sm

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hf Mo

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hf Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Ta


species: Ta W

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70


species: V Zr


species: Hf Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Zr


species: Nb Ta

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


Wyckoff_letters_orig: c d


species: Hg Pd

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Hg Re

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ce Fe

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hg Zr


species: Ni Rh

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Nb Sc


species: Ca V


species: Os Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: V W


species: O Sc

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Cr F


species: Sc Ti


species: Ca Cr


species: O V

crystal_class_orig: monoclinic-prismatic


species: Cu K

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mg O

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


species: O Y


species: Nb O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: b a e e e

Wyckoff_letters: e e


species: O Si

species_pp: O Si


species: Ir Os

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Ti

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: a e


species: Mo O


species: Ca O

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: I Ti

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Br Yb

species_pp: Br Yb

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Co Nb


species: Fe Li

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: O W

Wyckoff_letters_orig: a d

crystal_class: diploidal

Wyckoff_letters: a d


species: Cr Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn Ni


species: Ag Os

crystal_class_orig: tetragonal-dipyramidal


species: I Mn

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cd Mg


species: F Ni

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i


species: Co O

species_pp: Co O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Mg N

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i


species: Sn Te

species_pp: Sn Te

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: c b d d


species: Co P

species_pp: Co P

Wyckoff_letters_orig: c c


species: Cd O

species_pp: Cd O

crystal_class_orig: ditrigonal-scalahedral


species: Mn W


crystal_class_orig: hexoctahedral


species: Mn O

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: c c c d e

Wyckoff_letters: c c c d e


species: Cl Ta


species: Co Sc


species: Mn Pt

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


species: Au Ho

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e


species: O W

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c


species: Fe Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cd V

crystal_class_orig: dihexagonal-dipyramidal


species: Ni O

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Ge Te

Wyckoff_letters: c c


species: S Ti


species: Ca Mg


species: S Sn

Wyckoff_letters_orig: a f h

Wyckoff_letters: a f h


species: La Rh


species: Si Th

Wyckoff_letters_orig: a h


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cr V


species: F V

crystal_class_orig: triclinic-pinacoidal


species: Ca Cl


Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i


species: Li Mg


species: Co Rh

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Re Ti

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Mn Ru


species: O V

Wyckoff_letters_orig: a g g g g g g g g g g g

Wyckoff_letters_orig: g g g g

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

Wyckoff_letters: g g g g


species: O Pb

Wyckoff_letters_orig: c c


species: Ca F


species: O Zr

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Pmmn #59
Immm #71

Wyckoff_letters_orig: e e

Wyckoff_letters: f e


species: La Ru


species: Y Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Bi Cs


species: B Mn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


Wyckoff_letters: c c c

Wyckoff_letters: a h


species: C Ir

species_pp: C Ir


species: S Zn

species_pp: S Zn


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Fe Nb


species: Ag Cl

species_pp: Ag Cl


species: O Sc

crystal_class_orig: orthorhombic-pyramidal


species: O Sr

crystal_class_orig: ditetragonal-dipyramidal


species: Cd Sc


species: Pb Te


species: Ca Fe

Wyckoff_letters_orig: b e j


species: Ag Cu


species: Ge Sr


species: Ca V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nd O

species_pp: Nd O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: Co La

species_pp: Co La

Wyckoff_letters_orig: a e f h k

Wyckoff_letters: a e f h k


species: O Tc


species: O Zn

species_pp: O Zn


species: As Ta


species: Mn Zn

Wyckoff_letters_orig: c i

Wyckoff_letters: d i

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


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: e e e e


species: Ni V

aflow_prototype_params_list_relax: a c/a


species: Ru Sc

Wyckoff_letters_orig: a d e f i

Wyckoff_letters_orig: c d d i i i i

Wyckoff_letters: a d e f i

Wyckoff_letters: c d d i i i i


species: Ti V

Wyckoff_letters_orig: c d e


species: Pd Re

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

crystal_class_orig: orthorhombic-bipyramidal


species: C N

species_pp: C N

sg:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g


species: Ge S

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i


species: Cr O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i


species: F Mn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Fe

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: F Ni


species: O Ti

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a b

Wyckoff_letters: a a b c e


species: Mn O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Sc

crystal_class: dihexagonal-pyramidal


species: Ca Ni

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe I


species: Tc Ti

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Bi O

sg:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: h g

Wyckoff_letters: a h

Wyckoff_letters: h g


species: Ca Li

Wyckoff_letters_orig: b d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b d


species: H Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ta V

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Pd Ti

crystal_class: dihexagonal-dipyramidal


species: Re Y


species: Co Se

species_pp: Co Se

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i


species: Ho Tl

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: a b c c c c

crystal_class: hexoctahedral


Wyckoff_letters: c d e


species: W Zr

aflow_prototype_params_list_relax: a c/a x2


species: Cd Cr


species: I Ti

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: j j


species: Mn O

Wyckoff_letters_orig: d e

Wyckoff_letters_orig: a b d f

Wyckoff_letters: d e

Wyckoff_letters: a b d f


species: O Zr


species: Co Re


species: Sb Tb


species: V W

crystal_class: tetragonal-dipyramidal


Wyckoff_letters_orig: a c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a c


species: O V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Au F

species_pp: Au F

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a


species: O Ta

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Cu Mn


species: Cu Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Mn


species: Co V


species: Cr Mo


species: Cr V

crystal_class: tetrahedral


species: Cu Ni


species: Fe Ni

sg:
Pnma #62
Pnma #62
Pnma #62


species: Mn Mo


species: Mn Ni


species: Mn V


species: Mo Ni

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ni V

crystal_class_orig: diploidal


species: Co Fe


species: Co Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Cu


species: Cr Ni


species: Cu Ti


species: Cu W


species: Mo Zn

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Ni Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Zn


species: Ti V

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: V Zn


species: Hg Mg

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hg Rb

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca Cs


species: Ca Nb


species: Cs Mg


species: K Rb


species: F Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Li


species: O Pb

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Ce O

species_pp: Ce O


species: Dy O

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Pr

species_pp: O Pr

crystal_class_orig: tetragonal-trapezoidal


species: O Sm

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a b

Wyckoff_site_symmetries: .m .m


species: Dy Nd

crystal_class_orig: ditrigonal-scalahedral


species: Dy Mn


species: Er Pr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Co Ni


species: Cl Ta

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f


species: Ce V

crystal_class_orig: dihexagonal-dipyramidal


species: Ce Cu

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ce Gd

species_pp: Ce Gd


species: Co Nd

species_pp: Co Nd


species: Cr Yb


Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Dy Zn


species: Er Ti


species: Fe Ho


species: Ho Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ho Pm


species: Ho V


species: Ni Sm

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pm Zn

species_pp: Pm Zn


species: Sm V


species: I Sn

species_pp: I Sn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: I Ni


species: I Rb

crystal_class_orig: hexoctahedral


species: I Si

species_pp: I Si

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


species: I Zn

species_pp: I Zn

sg2:
Ibca #73
Ibca #73
Ibca #73

Wyckoff_letters_orig: c c e d f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c c e d f f

Wyckoff_letters: f f


species: Cl Pb

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

Wyckoff_letters_orig: c c c

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

Wyckoff_letters: c c c


species: Co Sc

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cu Zr


species: Fe Ni

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ir V


species: La Y

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Pt Re

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Re W

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Sc Y


species: W Zr


species: Nb Ta


species: Cr Rh

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ru Sc


species: Hg Rh


species: Nb Ti


species: Co Sm

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hf Zr


species: Sc Zn


species: Au Re

crystal_class_orig: dihexagonal-pyramidal


species: Mg O

sg2:
Immm #71
Immm #71
Immm #71


species: Au Fe


species: Hg Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca I


Wyckoff_letters_orig: a a


species: Co I

species_pp: Co I


species: Cr I

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I K

crystal_class: tetragonal-trapezoidal


species: Be I

Wyckoff_letters_orig: b a a a a a a

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

Wyckoff_letters: b a a a a a a

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


species: I Si

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e g


species: Ag I

species_pp: Ag I


species: I In

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Bi O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ta Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu I


species: I Sr


species: Fe Nb

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b c


species: Ir Re

sg:
Immm #71
Immm #71
Immm #71


species: Cd Ni


species: Hf W


species: Nb Y


species: Pd Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Re Rh


species: Cr Tc


species: Ir Sc


species: La Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ag Co

species_pp: Ag Co


species: Co Os

crystal_class_orig: tetrahedral


species: Cu Ru


species: Mo Zr

Wyckoff_letters: c d e


species: Au Zr


species: Au Ni


species: Fe O

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Hf Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hf Ta

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Hf W


sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Cmcm #63
Cmcm #63

Wyckoff_letters: a g


species: Nb W


species: O Ti

Wyckoff_letters_orig: a a a c c c

Wyckoff_letters_orig: b b b c c c

Wyckoff_letters: a a a c c c

Wyckoff_letters: b b b c c c


species: Ir Nb


species: Y Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: La Mo


species: Os Tc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Pd


species: Re Ta


species: Cr Nb


species: Ag Tc


species: Ag Pd


species: Mg O

Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: d a


species: I Tc


species: Cl Mo

Wyckoff_letters_orig: c c d d d d

Wyckoff_letters: c c d d d d


species: Li Tl

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Zn Zr


species: O V

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Co Ru

crystal_class: hexoctahedral


species: Ni O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a b

Wyckoff_letters: a a b c e


species: Nb O

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

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

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

Wyckoff_letters: e e e


species: Ir Re

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: V Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Ni

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: F W

Wyckoff_letters_orig: c c d d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c d d


species: Hf Re

crystal_class: ditrigonal-scalahedral


species: Ge S

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu K

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Li


species: Fe La


species: Ca F


species: Hg Pt

species_pp: Hg Pt

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: N Rh

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cd Y


species: O Sr


species: Eu O

species_pp: Eu O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d


species: Ce Tl

Wyckoff_letters_orig: b k

Wyckoff_letters: b k


species: O Sc

Wyckoff_letters_orig: a b c

Wyckoff_letters: f c

Wyckoff_letters: b a k


species: O Rh


species: Ag Rh


species: Co La

species_pp: Co La

sg:
Imm2 #44
Imma #74
Imma #74

sg2:
Imm2 #44
Imma #74
Imma #74

Wyckoff_letters_orig: c c d e

Wyckoff_letters_orig: a b

Wyckoff_letters: i a g


species: Ir O

species_pp: Ir O

sg:
Ama2 #40
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: a b b

Wyckoff_letters: a c c


species: Ca Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ni O

Wyckoff_letters_orig: i i


species: Ca I


species: Cu O

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Nb Tc


species: F Ti

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Sc Tc


species: Cr O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a d


species: Ca Mg

Wyckoff_letters: c c c


species: Hf Zn


species: Cd Fe

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f


species: Nb Ti

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters: c d


species: Ga Pd

Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: Hg Os

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: O V

Wyckoff_letters: a e e


species: C N

species_pp: C N

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a a a


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a a

Wyckoff_letters: d c


species: Er 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: O Zr


species: Tc Y


species: Co Mg


species: La O

species_pp: La O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h


species: O Tc


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cu K

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Fe Pt


species: Fe K


species: Sc Ti

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: F Mn

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: I Tc


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e


species: Ir V


species: O Rh


species: Cr F

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Pb Te


species: Nb O


species: F Fe

crystal_class_orig: orthorhombic-sphenoidal


species: Hg O

species_pp: Hg O


species: O Ru

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Li V

crystal_class: tetrahedral


species: O Pr


species: Bi Sn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: O Sc

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Pd Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cr Ir


species: Fe K

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: O Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Ni


species: Cr Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co O

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ca V


species: Ti V


species: Mg O

crystal_class_orig: tetragonal-trapezoidal


species: Cd Cr


species: Cr K


species: Nb O

crystal_class_orig: ditrigonal-scalahedral


species: Ni Sn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cl Cr

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Au Sc


species: Ca Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca O


species: Mn Ti

crystal_class: tetragonal-dipyramidal


species: Cu Mg


species: Pd Re


species: Ca K


species: Co O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: g i

Wyckoff_letters: h i


species: Rh Sc


species: Co Li


species: Ag Lu

species_pp: Ag Lu


species: Ag Bi


crystal_class: ditrigonal-dipyramidal


species: Cd Y


species: Fe Li


species: O W


species: I V


species: Ir O

Wyckoff_letters_orig: a d g h


species: F S

species_pp: F S

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters_orig: a i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i i i i

Wyckoff_letters: a i


species: O Rh

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mg O

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Ni Ti

crystal_class: dihexagonal-pyramidal


species: F Ni

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: Fe K


species: Cu O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: O Zr


species: I Nb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Ru

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Rh W


species: Hg Nb

Wyckoff_letters_orig: a c


species: Cd Co

species_pp: Cd Co

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: F Fe

Wyckoff_letters_orig: c c c

Wyckoff_letters: a c


species: O Sr


species: B Re

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: Mo O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b


species: Au Co

species_pp: Au Co

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Zr

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e e


species: Li Zn


species: Ca Li


species: Ni O


species: Se Sn

species_pp: Se Sn


species: O Ta

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: N Si

species_pp: N Si

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sc

Wyckoff_letters_orig: a b d

crystal_class: dihexagonal-dipyramidal


species: Cr Mg

crystal_class: hexoctahedral


species: As Ge

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

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


species: I Ti

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i


species: O Yb

species_pp: O Yb

Wyckoff_letters_orig: a f h


species: Cr O

crystal_class: ditrigonal-scalahedral


species: Cd O


species: I Ta

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

Wyckoff_letters_orig: a f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a f


species: K Pb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i i i i

Wyckoff_letters: a i i i i


species: Pb Rb

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: W Zn

crystal_class_orig: tetrahedral


species: Co Ni


species: Co Ti


species: Cr Cu


species: Cr Fe


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cr V


species: Cu Ni

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Mn Mo


species: Mn Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn Zn

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Mo W


species: V W


species: Co Mo


Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cr Ni

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

sg2:
Pnnm #58
Pnnm #58
I4/mmm #139


species: Cr W


species: Fe Zn


species: Mo Ni


species: Mo V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ni V


species: Ni W

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: F 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


Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Hg Ho

crystal_class_orig: diploidal

crystal_class: diploidal


species: Hg In


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Rb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li Ta


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Er V


species: Cr Gd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Yb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cl Ta


species: Eu Zn

species_pp: Eu Zn


species: Ho Ni

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Pr Zn

species_pp: Pr Zn


species: Be I

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Ge I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e e e


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr I

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Au Nb


species: Cd Mn


species: Cr Os


species: Cu La


species: Hf Nb


species: Hf Re


species: Au Sc


species: Hf V


species: Hf Y


species: Nb Ni


species: Ta Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ag V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Cd Cr


species: Cd Ta


species: Hg Tc


species: Cd Co


species: Cd Ti


species: Mo Re


species: Hg Pd


species: Nb Y

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ag Ir

species_pp: Ag Ir

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Hf W


species: Ca I


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


sg:
Pnna #52
Imma #74
Imma #74

sg2:
Pnna #52
Imma #74
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: e a

Wyckoff_letters: h i


species: Cr I


species: Fe I

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: I K

crystal_class_orig: ditrigonal-scalahedral


species: I Li


species: I Mg

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


Wyckoff_letters_orig: a b e

Wyckoff_letters: a b e


species: I Ni

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


species: Be I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: I Rb

Wyckoff_letters_orig: e e


species: I In

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters: e e

Wyckoff_letters: c d


Wyckoff_letters_orig: i i i j j j

Wyckoff_letters: i i i j j j


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Hg I


species: I Zn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Au Ni


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Co Sc


species: Ta Y


species: W Y


species: Ag Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Ir


species: Fe S

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b c


species: Rh Y

crystal_class_orig: dihexagonal-dipyramidal


species: Nb Zr


species: Cu Hg


species: Mo Ta


species: Mo Zr


species: Nb Ta


species: Nb W


species: Ti Zr


species: W Zr


species: Fe Ir


species: Cd Zr


species: Co La

species_pp: Co La

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cu Rh


species: Ag Au

species_pp: Ag Au


species: Ir Ni


species: La Rh


species: Os W

sg:
Pnma #62
Pnma #62
Pnma #62


species: Os Y

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cr Pd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe K


species: Eu O

species_pp: Eu O


species: Bi O


species: Cu Ir


species: Br Ca

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Co Mg

crystal_class_orig: hexoctahedral


species: Ca Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr F

crystal_class_orig: monoclinic-prismatic


species: Al Ni


species: Pb Se


species: I Mg


species: Mn O


species: In O

Wyckoff_letters_orig: c e h

Wyckoff_letters_orig: h h h

Wyckoff_letters: c e h

Wyckoff_letters: h h h


species: Ge Pd

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

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


species: O Ti


species: Cd Zr


species: Cr Li


species: Tc Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Hg

species_pp: Cd Hg


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: S Sn

species_pp: S Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: Al F

species_pp: Al F

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Ir

species_pp: F Ir

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Ni Sc


species: Li Mg


species: Ca Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd O

species_pp: Cd O


species: Nb O


sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Al Nd

species_pp: Al Nd


species: La Nb

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Fe O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f

Wyckoff_letters: c f f


species: Cr Cu

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Hg O

species_pp: Hg O


species: Cr Li

sg2:
Immm #71
Immm #71
Immm #71


species: Cr Hg


species: Mn O

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: Ca Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca Tc


species: Mo O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: Co O

species_pp: Co O

Wyckoff_letters_orig: e e


species: Mg O


species: Co Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Ti


species: Li Ni


species: Fe Ru


species: Re Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mg S


species: Li Ti


species: Ga Zr


species: F Sn

species_pp: F Sn


species: Pt Sc

Wyckoff_letters_orig: a f


species: K O

Wyckoff_letters_orig: c c c


species: Mo Ni

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: F Ni


species: Al Pr

species_pp: Al Pr


species: Sc Ta

Wyckoff_letters_orig: a d


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: f h i

Wyckoff_letters: f h i


species: Nb P

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c c


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


species: Ag Hg

species_pp: Ag Hg


species: F Zn

species_pp: F Zn


species: F Mn