species: Ca Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


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

point_group_type_orig: centrosymmetric

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

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

point_group_type: centrosymmetric

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


species: Hg Li

Bravais_lattice_orig: TET

lattice_variation_orig: TET

lattice_system_orig: tetragonal

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: a c

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: a c


sg2:
Pnma #62
Cmmm #65
P4/mmm #123

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: 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

Bravais_superlattice_lattice_type: BCT

aflow_prototype_params_list_relax: a c/a


species: Cs F

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC


species: O Pb

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

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

Wyckoff_letters_orig: a a a a

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pedial

point_group_structure: trivial

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

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

Wyckoff_letters: a a a a


species: O Sm

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: trigonal-pyramidal

point_group_structure_orig: cyclic

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

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX


species: O Pm

species_pp: O Pm

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_class_orig: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: c c

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL


species: Ce Cr

Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

Bravais_lattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: a h

Bravais_lattice_lattice_type: BCT

reciprocal_lattice_type: BCT

Wyckoff_letters: a h


species: Cr Pm

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Cu Yb


species: Cl K

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cl Mg

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

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

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: Co Yb

species_pp: Co Yb

Egap_DOS_type: metal

crystal_class_orig: ditrigonal-dipyramidal

point_group_structure_orig: dihedral

crystal_class: ditrigonal-dipyramidal

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Ho Ti

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: Nd Sm

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: I Ni


species: Cr I

Egap_DOS_type: half-metal

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic

Wyckoff_letters: a a


species: I In

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

lattice_system_relax: orthorhombic

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: Fe Y

crystal_class_orig: ditrigonal-scalahedral

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC


species: Ir Mo


species: Ni Ta

aflow_prototype_params_list_orig: a c/a


species: Ag Cd

species_pp: Ag Cd


species: Ag Hf

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: b f

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Cr Sc

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

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: a e

crystal_class: tetrahedral

point_group_structure: symmetric

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: a e


species: Mo Re

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

Wyckoff_letters_orig: a l

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Re Y

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ag Ni


species: Cd Pt

species_pp: Cd Pt


species: La Os


species: Ni Zr


species: Cu Ir


species: Eu Ti


species: Ir Ti


species: Mo Y


species: Cr Hg


species: Rh Zn


species: Au Nb


species: Hf Mo


species: Ca I

Egap_DOS_type: insulator

crystal_class_orig: dihexagonal-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

point_group_type: polar

Wyckoff_letters: a b


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


species: Cr I

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: Fe I

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I K

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a


Wyckoff_letters: c c


species: I Li


species: I Mg

Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c f

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: I Ni

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Ag I

species_pp: Ag I


crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: I Sn

species_pp: I Sn


species: Ba I

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f f

Wyckoff_letters_orig: d f g g

Wyckoff_letters: d f f

Wyckoff_letters: d f g g


species: Cr Hf

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Y Zn

crystal_class_orig: hexoctahedral

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: b c

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Wyckoff_letters: b c


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_site_symmetries_orig: m m 1

reciprocal_lattice_type: MCLC

Wyckoff_letters: i i j

Wyckoff_letters: a h i

Wyckoff_site_symmetries: m m 1


species: Au Pd


species: B Cr

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c l

Wyckoff_letters: a h

Wyckoff_letters: c l


species: Cd Rh

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Re Zr

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI


species: Cu Hf

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ir V


species: Pd Zn

Wyckoff_letters_orig: c i

Wyckoff_letters: c i

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

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


species: Co Ta


species: Cu Rh


species: W Y

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Ti


species: Ru W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mo Sc


species: Zn Zr

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: c d e

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: c e d


species: Sc W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ir Pt

species_pp: Ir Pt


species: Hf V


species: Hf Zr


species: W Zr


species: Hf Mo

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Hf Ti


species: Mo Ta

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Wyckoff_letters_orig: a i

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: a f


species: Ir Mn


species: Mn Nb


species: Ni Os


species: Ag Ni


species: B Yb

Wyckoff_letters_orig: e h j

Wyckoff_letters: e h j


species: Hg La

species_pp: Hg La


species: Re V


species: Ir Rh


species: Cu Dy


species: Hg Ta


species: Ir V


species: Hg Tc


species: Os Rh


species: Hf Ru


species: Cr Zn

Wyckoff_letters: d i


species: Li P

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d d d d d

Wyckoff_letters: c d d d d d


species: H S

species_pp: H S

crystal_class_orig: triclinic-pedial

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

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: a a a a a a a a


species: O Ti

Wyckoff_letters_orig: c c c c c c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c c c c c

Wyckoff_letters: c c c c


species: Ag Zn

species_pp: Ag Zn


species: Co Cr


species: Mn W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Sr

Bravais_lattice_orig: MCL

lattice_variation_orig: 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: n m

Wyckoff_letters_orig: b c

Wyckoff_site_symmetries_orig: m m

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


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O V


species: Cr O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

point_group_structure: cyclic

Wyckoff_letters: a a a a a a a

Wyckoff_site_symmetries: m m m m m m m


species: F V

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Tc Zn


species: Ag Tc

crystal_class_orig: dihexagonal-dipyramidal


species: Ca Cu


species: Co Li


species: Co Mg


species: Te Zn

species_pp: Te Zn

crystal_class_orig: monoclinic-prismatic

aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: O Sc

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: O Zr

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Cs N

Wyckoff_letters_orig: d h

Wyckoff_letters: d h

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Pt Ta

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Ca Ni

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ni Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cu Mg


species: O Sr


species: Cr Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg O


species: O Pd


species: O W

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: O Ru

crystal_class: diploidal


sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: O Tb

Wyckoff_letters_orig: b e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b e


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: c c


species: Ca V

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: C Mg

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: I Mn

crystal_class: hexoctahedral


species: O Sc

Wyckoff_letters: b a


species: W Zn


species: Al F

species_pp: Al F

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: K Mg

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: F V

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Se Sn

species_pp: Se Sn


species: Al Au

species_pp: Al Au

point_group_Schoenflies: T

point_group_structure: alternating


species: La Zr


species: Hf O

sg:
Pbca #61
Pbca #61
Pbca #61


species: Al Fe

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Tc

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c d

Wyckoff_letters: a e

Wyckoff_letters: c d

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Pd Sc

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c c


species: Cd Hg

species_pp: Cd Hg

crystal_class: dihexagonal-dipyramidal


species: Ni V


species: Ca O

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

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Re


species: Co Tc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ho Sn

Wyckoff_letters_orig: c g g h

Wyckoff_letters: c g g h


species: Fe O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: c f

Wyckoff_letters: e f f


species: W Zn


species: Bi Ti


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m

Wyckoff_site_symmetries: m m


species: O Sr

crystal_class_orig: monoclinic-sphenoidal


species: Bi K

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Fe I

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

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: O Sc

crystal_class: orthorhombic-bipyramidal


species: N Rh


species: Cd F

species_pp: Cd F

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c


species: Fe Sc

crystal_class_orig: ditrigonal-scalahedral


species: O Os


species: O W

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ca O


species: Ca Cu


species: Mg O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Pb Pr


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: Cu Mn


species: Cu I

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Os Re


species: Ir Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a h j j k k n

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a h j j k k n


species: Cr Mo

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Hg Tc


species: I Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd Tc


species: Cu O


species: Bi O


species: Ca Tc

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Nb Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ru Zn


species: Li O

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: O Re

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a d g

crystal_class: tetragonal-scalenoidal


species: F V


species: Ru Ta


species: Ir V


species: Cu Ni


species: O Tc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: N O

species_pp: N O


species: Ni O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li V


species: Fe K


species: Ir O

species_pp: Ir O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: f a

Wyckoff_letters: f e g


species: Ca Co

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: O Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca Cu


species: I Ta


species: Mn O


species: Ta Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni Re

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ca Li

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: O Sc

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: La Mn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: F Li


species: O W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe Ir


crystal_class_orig: hexoctahedral


species: Mo O


species: Li Sb

Wyckoff_letters_orig: a c i i i i i i i

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

Wyckoff_letters: a c i i i i i i i

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


species: Sc Ti

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: I Tc


species: Co Nb


species: Cu Li

crystal_class_orig: ditetragonal-dipyramidal


species: Pt Ti

crystal_class_orig: orthorhombic-bipyramidal


species: Cr Mg


species: Os Ti


species: Ca Ti


species: Sn Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Zr

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ce Zn

species_pp: Ce Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ir Mo


species: B Tc

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e

Wyckoff_site_symmetries: m m m


species: Hf Ni


species: O Ru

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: F Mn

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: O Sn


species: O W


species: I Mn


species: O Sr

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c c

crystal_class: ditrigonal-pyramidal


species: Li Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pt Te

species_pp: Pt Te


species: Re Ru

crystal_class: ditetragonal-dipyramidal


species: N W


crystal_class: hexoctahedral


species: O Rb

crystal_class_orig: monoclinic-prismatic

aflow_prototype_params_list_relax: a b/a c/a x2


species: O Ta


species: Li Pb


Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Cr Cu


species: Co Fe

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co Mo

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Co Ti


species: Co V


species: Fe Mo


species: Fe Ni


species: Mo V


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr Ti


species: Cu Fe


species: Cu Ti


species: Fe V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn Mo


species: Mo Ni


species: Ni Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: V W

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: W Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cl Mg

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Hg K


species: Hg S

species_pp: Hg S


species: Hg Te

species_pp: Hg Te

crystal_class: ditrigonal-scalahedral


species: Ca Rb


species: Ca Ta


species: Mg Rb


species: Hg Li

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-dipyramidal


species: F Pb


species: Ce O

species_pp: Ce O


species: O Sm

Wyckoff_letters: c c


species: Co Tb


species: F Ta

Wyckoff_letters_orig: c c g g

Wyckoff_letters: c c g g


species: Cu Sm


species: Ag I

species_pp: Ag I


species: Ga I

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic


species: I Pb


species: Ce Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co 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: Co Zr


species: Cr Hg

Wyckoff_letters_orig: a c


species: Fe Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ho Sm

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ir Re

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mo Zr


species: Ni Rh

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mn Tc


species: Ni Pt

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ag Hg

species_pp: Ag Hg


species: Au Ti

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Re Sc


species: Ru Y

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: La Zr


species: Pd Rh

Wyckoff_letters: c d e


species: Ag W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Au Re


species: Cd Zn

species_pp: Cd Zn


species: Hg W


species: Ag Hf

Wyckoff_letters: b c


species: Cr Hf


species: O S

species_pp: O S


species: Ti Zr


species: Sc W


species: Ca I

Wyckoff_letters_orig: n m


Wyckoff_letters_orig: a b d


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


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


species: Fe I

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters: g h


Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_letters: c b

Wyckoff_letters: a g f j

Wyckoff_site_symmetries: mmm mmm

Wyckoff_site_symmetries: mmm mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


species: I K


species: I Ni

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i


species: I Zr

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ag 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


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


sg:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c c

Wyckoff_letters: a c

Wyckoff_letters: c c c


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: I Sb

species_pp: I Sb


species: Hg I

species_pp: Hg I

crystal_class: orthorhombic-bipyramidal


species: Au Pd

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Ta


species: Ni Pt


species: Cu I

sg:
Pbcn #60
Ibam #72
Ibam #72

sg2:
Pbcn #60
Pbcn #60
Ibam #72


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ga I


species: Ag Tc


species: Hg Nb


species: Rh Tc

crystal_class_orig: ditrigonal-scalahedral


species: Eu V


species: Mo Ru


species: Cd Mo


species: Re Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: La Mn


species: Mn Re


species: La Tc


species: Nb Te

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

aflow_prototype_params_list_relax: a b/a c/a z2


species: Nb Zr


species: Ru Ta


species: Ta W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Tc Ti


species: Cd Nb

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Hf W

Wyckoff_letters_orig: b e

Wyckoff_letters: b c


species: Hf Ta


species: V Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Ir


Wyckoff_letters_orig: a e


species: W Zr


species: Pd Ti


species: La Pt

species_pp: La Pt


species: Pt Sc


species: Au La

species_pp: Au La


species: Cs Pb

sg:
Pnma #62
Imma #74
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cl Nb

crystal_class_orig: tetragonal-trapezoidal


species: Cu Y


species: Co Ru


species: Au Co

species_pp: Au Co


species: Nb Pd


species: Pt Ru


species: K N

Wyckoff_letters_orig: d h

Wyckoff_letters: d h


species: Mo Zr


species: Co Re

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Mg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a c


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: c d d d

Wyckoff_letters_orig: a b d

Wyckoff_letters: c d d d

Wyckoff_letters: a b d


species: Ag Br

species_pp: Ag Br


species: Ca Cr

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: O Ti

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Mg O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c c c c


species: Co K


species: Cr K

crystal_class_orig: ditrigonal-dipyramidal


species: O Si

species_pp: O Si

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cd O

species_pp: Cd O


species: Pt Ti


species: K Li


species: I V

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg Mo

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl N

species_pp: Cl N

crystal_class_orig: diploidal

crystal_class: diploidal


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: Cd W

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

aflow_prototype_params_list_orig: a b/a c/a x2


species: Cd Mn

crystal_class_orig: ditetragonal-dipyramidal


species: Ni O


species: O Pd

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: K Mg


species: Li Mg

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Nb O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O Zr

Wyckoff_letters: a e e


species: Ir O

species_pp: Ir O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: F Hg

species_pp: F Hg


species: Cu Li

crystal_class_orig: hexoctahedral


species: O Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c e


species: Co O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca K

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Bi Ti


species: F Mn

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a c

Wyckoff_letters: c c c

Wyckoff_letters: a c


species: Ca Fe

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Li P

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Ca Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Sc

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a g

Wyckoff_letters: a n


species: O Os

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Mg


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mo O


species: O Te

species_pp: O Te


species: Cr Mg


species: Ca Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Ti

crystal_class: tetragonal-trapezoidal


species: O V


species: Fe O

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Cu O


species: Cr Ta

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca F

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 Nb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: F Ga


species: Co F

species_pp: Co F


species: Li Mn

crystal_class_orig: dihexagonal-dipyramidal


species: Ir Pt

species_pp: Ir Pt


species: F Sr

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: Co Ni


species: Cu F

crystal_class_orig: monoclinic-prismatic


species: O Sr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: K Mg

Wyckoff_letters_orig: a d


species: Ca Fe

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


species: Cr F


species: Mn Zn


species: Sn Te

species_pp: Sn Te


species: Ru Zr


species: Dy Tl


species: Cu Tc

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: F V

Wyckoff_letters_orig: e f


species: Cu Li

crystal_class: ditrigonal-dipyramidal


species: Mo Y

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: I V

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: e e


species: I Mn

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: a h

Wyckoff_letters: h g


species: Fe Li


species: Ag Sc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Co K

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Li Mn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Re Sc


species: Cr Li


species: Mo Sn

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: f j

Wyckoff_letters: a c

Wyckoff_letters: f j


species: Co Mn


species: Pd Zn


species: F Mg

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

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

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


species: O Re


species: Ca Cr

crystal_class_orig: ditrigonal-scalahedral


species: F Sr

Wyckoff_letters_orig: c d f

Wyckoff_letters: a d e


species: Ca P

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

Wyckoff_letters: f g

Wyckoff_letters: e h


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Se Sn

species_pp: Se Sn


species: Cr O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Co F

Wyckoff_letters_orig: c c d i

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters: c c d i

Wyckoff_letters: c c f h i j k


species: I Mn


species: Ag La

species_pp: Ag La

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Pt Zr


species: Au Cd

species_pp: Au Cd

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Tc


species: In P


species: Nb Si

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo O


species: F Fe

sg:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: Pt Sc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cd O

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: Cu Ti


species: Ca Ni

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Zn


species: Ti Zn

Wyckoff_letters_orig: b h

Wyckoff_letters_orig: g h h i i i i

Wyckoff_letters: b h

Wyckoff_letters: g h h i i i i


species: Ag Bi


species: Ca O

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: Cr O


species: La O

species_pp: La O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f

Wyckoff_letters: c e


species: F Ti


species: Ba N

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Li V


species: Lu Ru

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: I Ti

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Zr

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Tc W

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Pb S

crystal_class: ditetragonal-dipyramidal


species: As Te

species_pp: As Te

crystal_class: ditrigonal-pyramidal


species: F Mg


species: Ge Se


species: K Mg

Wyckoff_letters_orig: c f

crystal_class: hexoctahedral

Wyckoff_letters: c f


species: Ca O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: La Sn

species_pp: La Sn


species: Pb Te

crystal_class_orig: trigonal-trapezoidal


species: Ca Zn


species: Pt Rh

crystal_class_orig: diploidal


species: V Zn

crystal_class: dihexagonal-dipyramidal


species: Ca Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Ni

crystal_class_orig: ditrigonal-dipyramidal


species: Ca Co


species: Ga S


species: Os Ti

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ge K

Wyckoff_letters_orig: e i

Wyckoff_letters: e i


species: Ca Pb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Pb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Ta

Wyckoff_letters_orig: e e e


species: Mg Nb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Co Ni


species: Mo W


species: Co V

crystal_class_orig: hexoctahedral


species: Cr Fe


species: Cr Mo


species: Cr Ni

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Ni

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe Ni


species: Fe Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mn Ni


species: Mo V


species: Ti V


species: Co Cu

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr Ti

crystal_class: ditrigonal-scalahedral


species: Cr V


species: Cr W


species: Cu Mo


species: Cu V


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe Mo


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters: c e d


species: Mn Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Mo Ti


sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class: orthorhombic-bipyramidal


species: Ni W


species: Ni Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: W Zn


species: Cl Nb


species: O Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Hg Li


species: Hg S

species_pp: Hg S


species: Hg Se

species_pp: Hg Se


species: Ca Nb


species: K Nb

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Li Nb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Ta

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: F Ta

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f


sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Pm

species_pp: O Pm


species: Pr Sm

crystal_class_orig: dihexagonal-dipyramidal


species: Nd V


species: Mn Pr


species: Pm Ti


species: Tb V


species: Ce Fe


species: Cl Mg


species: Cs Pb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Rb


species: O Pb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: Mn Sm


species: Ce Co

species_pp: Ce Co


species: Ce Ni


species: Cr Tb


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Dy Ti


species: Eu Zn

species_pp: Eu Zn


species: Ho Pm


species: Ti Yb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co I

species_pp: Co I


species: I In


species: I Pb


species: Co Tc


species: Ni Ta


species: Au Co

species_pp: Au Co


species: Cr Sc


species: Hg La

species_pp: Hg La


species: Os Zr


species: Pt Zr


species: Ti Zr


species: B Re


species: Ru Y


species: Re Tc


species: Rh V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ru Ta


species: Ta W

crystal_class: diploidal


species: Mg O


species: Cu Pt


species: Pb Pt


species: Ca I


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: Cr I

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Fe I


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: I Li

Wyckoff_letters_orig: a b c

Wyckoff_letters: d c


Wyckoff_letters_orig: a b e

Wyckoff_letters: a b e


species: I Mg


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: I Ni

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f

Wyckoff_letters: a c


species: Be I


species: I Si

species_pp: I Si

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: i j j j k k

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: i j j j k k


species: I Rb

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: I Zr

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a


Wyckoff_letters_orig: f f f f f f f f

Wyckoff_letters: f f f f f f f f


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: Ba I

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: Hg I

species_pp: Hg I


species: I Pb

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


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

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

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

Wyckoff_letters: a a a a


species: Nb Rh


species: Al I

species_pp: Al I


species: Ag Sc

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Hf Mo

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Nb Zr

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Re Ti


species: Co Ru


species: Cu Pt


species: Nb Re


species: Ir Mn


species: Fe Ta


species: Hf Ni

Wyckoff_letters_orig: a i i i i i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a i i i i i i i i i i


species: Hg Ru

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Pt Re


species: Pt Ta


species: Ru Y

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hg Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: La Ni


species: Mn O

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: g c a

Wyckoff_letters: g g g


species: Cd Pd

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Tc Ti

crystal_class_orig: tetrahedral

Wyckoff_letters: c e d


species: Ag Mn


species: Ag Ti


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ag Hg

species_pp: Ag Hg


species: Ta Ti


species: Hf Mo

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: W Zr


species: Cu Mo


species: Hf Ti


species: Ta V


species: V Zr


species: Cd Mo

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu Hf


species: Cd Cu


species: Nb V


sg2:
Pnnm #58
Immm #71
I4/mmm #139


species: Er V


species: Mn Rh


species: Ag Mo


species: Ag V

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


species: Hf Rh


species: Cu La

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ag Ni


species: Ag Y


species: Hf Ir

Wyckoff_letters: c c c


species: Cd La

species_pp: Cd La


species: Co O

species_pp: Co O


species: V W

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cl Sc

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: O V

sg:
Pmma #51
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

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

Wyckoff_letters_orig: a a a a

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

crystal_class: monoclinic-domatic

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

Wyckoff_letters: a a a a

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


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Pt Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Li Mg


species: Ni O

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: c b e m

Wyckoff_letters: a d

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


species: Bi Ti

aflow_prototype_params_list_relax: a c/a


species: Co Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd F

species_pp: Cd F

sg:
Pbcn #60
Pbcn #60
Pbcm #57

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Sc Tc


species: F Ni

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ca Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Cu Li


species: I V


species: Ir Os


species: Pd Tc

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: K O


species: Nd O

species_pp: Nd O


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ca O

crystal_class_orig: diploidal


species: O Sc

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

Wyckoff_letters_orig: i i i i

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

Wyckoff_letters: i i i i


species: Gd Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: As V


species: Cu Mg

aflow_prototype_params_list_relax: a c/a x2


species: O Ru


species: Ga Ti

Wyckoff_letters_orig: a d


species: Ca K

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: O Rh

crystal_class: ditetragonal-dipyramidal


species: I Nb

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: B N

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Bi O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Co O

Wyckoff_letters_orig: g g g g

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

Wyckoff_letters: g g g g

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


species: Mo O


species: La Mn


species: Rh Tc

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd O

species_pp: Cd O

crystal_class_orig: monoclinic-prismatic

crystal_class: hexoctahedral


species: Sc Tc


species: O Zr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Pr

species_pp: O Pr

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: As Ta

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters: g g g

Wyckoff_letters: g g g g g g


species: Cu K

crystal_class: ditrigonal-scalahedral


species: O V

sg2:
Pbcm #57
Cm #8
Cm #8

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: c d e e e


species: Li V

crystal_class_orig: hexoctahedral


species: Fe Mg


species: Ca Cu

Wyckoff_letters: a d


species: Mo Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr F

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Mo Nb

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cu Mg

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Pt Ta

Wyckoff_letters_orig: a h


species: F Mn

crystal_class_orig: triclinic-pinacoidal


species: Rh Sm

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: Fe W

crystal_class: tetrahedral


species: I Mg


species: Rh Tc

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Pt S

species_pp: Pt S

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c e j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c e j


species: Co O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a b b

Wyckoff_letters: a a a b b


species: Mg Sn


species: O Zr

sg:
Pbcn #60
Pbcn #60
Pbcn #60


species: Br Ca

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e g i


species: Ni O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Fe Li

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: As S

species_pp: As S

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a


species: Fe O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: c b

Wyckoff_letters: a g f j


species: Ag W


species: O Ti

Wyckoff_letters_orig: i i j

Wyckoff_letters: h i


species: O Sc

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Cu Hf

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Rh

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O W


species: Li Ti


sg:
Pnma #62
Imma #74
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74


species: O Re

Wyckoff_letters_orig: c d


species: Li Zn


species: Cd F

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: m n


species: La Zn

species_pp: La Zn


species: Au Co

species_pp: Au Co

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: F Sn

species_pp: F Sn

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: O Pr

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Dy O


species: Hg Ni


species: W Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Al Ru

Wyckoff_letters_orig: e f g

Wyckoff_letters: e f g


species: Fe Ta


species: Nb O

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: O Rh


species: Mo Os


species: Co Mg

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Mo O

Wyckoff_letters: c d


species: O Zr

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: e e e


species: Ir Mn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd Nb

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: S Ta

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: c c d d

Wyckoff_letters: d d

Wyckoff_letters: c c d d


species: Mn O

Wyckoff_letters_orig: e f g g g

Wyckoff_letters_orig: g g g g g g g g

Wyckoff_letters: e f g g g

Wyckoff_letters: g g g g g g g g


species: Al Sr

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a a b b


species: Re Tc


species: Al Sb

species_pp: Al Sb


species: Ag Bi


species: Tc V


Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: I Mg


species: Li O

Wyckoff_letters: a a


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: Mg O


species: Sb Zn

species_pp: Sb Zn

crystal_class_orig: diploidal

crystal_class: diploidal


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr F

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64


species: O Ti

Wyckoff_letters_orig: i i i i i i

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: i i i i i i

Wyckoff_site_symmetries: m m m m m m


species: I Yb

species_pp: I Yb


species: Br Se

species_pp: Br Se

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe O

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


species: Fe H

crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pedial

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


species: Hf O


aflow_prototype_params_list_relax: a c/a z2


species: Cd F


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Fe Li

crystal_class_orig: orthorhombic-bipyramidal


species: Ag Bi


species: S Zn

species_pp: S Zn


species: Ca Tc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cd O


species: Co F

species_pp: Co F


species: Cr Ni


species: F K

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Zr


species: Co Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Cu


species: Al W


species: Ga Pr

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Pd Tc


species: Fe O

Wyckoff_letters_orig: a a a a a a a

Wyckoff_letters: a a a a a a a


species: Co Re


species: Cu Mg

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Re V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li Mn


species: La Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ir Si

species_pp: Ir Si

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c

Wyckoff_letters: c c c c


species: Ca O


species: Cl In

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a a b b


species: O Ru

Wyckoff_letters_orig: a f h

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f h


species: Mo W


species: W Zn

crystal_class_orig: orthorhombic-pyramidal


species: Ca Tc


species: Hf Ta

crystal_class: ditetragonal-dipyramidal


species: Ru Tc


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cd O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Cr Ti

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cu O

crystal_class_orig: hexoctahedral


species: Al Sr

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: F Fe

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: Co Y

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Zr

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: hexoctahedral


species: Cu In


species: Fe K


species: O W

Wyckoff_letters_orig: d c

Wyckoff_letters: c d


species: Dy Rh

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca Mg

Wyckoff_letters_orig: b e


species: Bi O

crystal_class_orig: monoclinic-prismatic


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a b e

Wyckoff_letters_orig: e e

Wyckoff_letters: a b e

Wyckoff_letters: e e


species: Cu F


species: Se Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ru Zn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c

aflow_prototype_params_list_relax: a c/a x4


species: P W


species: F Mn


species: Mn O

Wyckoff_letters_orig: a b


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

crystal_class: trigonal-trapezoidal

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Cr O


species: Pd Sc


species: O Sc

Wyckoff_letters: d c


species: Cr F


species: Ir Sc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Nb Ta

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg Nb

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Co Cu

crystal_class_orig: dihexagonal-pyramidal


species: Co Mo

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Ni


species: Co Ti

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Co W


species: Cr W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu Mo


sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a f

aflow_prototype_params_list_relax: a b/a c/a


species: Cu Ti

crystal_class: dihexagonal-dipyramidal


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


species: Cu V

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Mn Mo

crystal_class: tetrahedral


species: Mn Ni


species: Mn Zn


species: Mo Zn


species: Ni Ti

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Co Mn


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Co Zn

species_pp: Co Zn


species: Cr Mo


species: Cr V


species: Cu Fe

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_relax: a b/a c/a x3


species: Cu W

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


species: Fe Ti


species: Fe W


species: Mn Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mn W


species: Mo Ti

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ti Zn


species: V W


species: W Zn


species: Cl Pb

Wyckoff_letters_orig: a b


species: F Nb

crystal_class_orig: tetragonal-trapezoidal


species: O Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Hg Sn

species_pp: Hg Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i

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


species: Hg Li


species: Hg Se

species_pp: Hg Se


species: Hg Zr


species: Cs Li


species: Li Rb

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mg Rb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pb Ta

crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cl Ta

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i


Wyckoff_letters_orig: a a a

Wyckoff_letters: c d


species: Ce O

species_pp: Ce O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Er V


species: Eu Ti


species: Dy V


species: Er Ni


species: Ce Zn

species_pp: Ce Zn


species: Nd V


species: Cl Nb


species: Cr Dy


species: Cu Ho


species: Fe Gd


species: Gd Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd I

species_pp: Cd I


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hf Pt


species: Ho Si

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ir Pd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn Tc


species: Re Sc


species: Re Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Sc Ta


species: Eu Ti


species: Fe Ru


species: Hg Pt

species_pp: Hg Pt


species: Mn Zr

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cd Mo


species: Cu Os


species: Hf Rh

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ni Os


species: Os Pt


species: Cr Os


species: Nb Ni


species: Al O

species_pp: Al O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Fe Pd


species: Mg O


species: Ag Cu


species: La Ru


species: Hg La

species_pp: Hg La

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Ca I


species: Co I

species_pp: Co I

crystal_class_orig: hexagonal-pyramidal


species: Cr I


species: Fe I

crystal_class: tetragonal-trapezoidal


Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: I K

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: I Mg


sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class: monoclinic-prismatic


species: Ag I

species_pp: Ag I


species: Cd I

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: I Sn

species_pp: I Sn

crystal_class: diploidal


species: Ba I

crystal_class: dihexagonal-pyramidal


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: I Pb

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b


species: Au W


species: O W

Wyckoff_letters_orig: d c e

Wyckoff_letters: c d e


species: Cu I

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


crystal_class: ditetragonal-dipyramidal


species: Al I

species_pp: Al I

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: I Sr

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Au Ta


species: Ir Sc

crystal_class_orig: orthorhombic-bipyramidal


species: Ni Pd


species: Cd Ir

species_pp: Cd Ir

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Hf Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Ir


species: Ir Ta

Wyckoff_letters_orig: c d e


species: La Re


species: Ni Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag La

species_pp: Ag La


species: La Pd

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Mo Nb


species: Mn Nb


species: Re V


species: Cd Cu

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Hg


species: Ba Se


species: Cu Te


species: Hg Mn


species: Au La

species_pp: Au La


species: Hf Mo

crystal_class_orig: diploidal


species: Nb Ti


species: Nb W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Nb Zr

crystal_class_orig: ditrigonal-dipyramidal


species: Ta Ti

crystal_class_orig: hexoctahedral


species: Ta Zr

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: W Zr

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co Y

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Pt Zn

species_pp: Pt Zn


species: Ag Tc

crystal_class_orig: dihexagonal-dipyramidal


species: Cd Sc

crystal_class_orig: tetrahedral


species: Fe Ir

crystal_class_orig: monoclinic-prismatic


species: Ru Tc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr La


species: Hg Pt


species: Cr Li


species: Sc Tc


species: Co V


species: Li Mn


species: Co K


species: Ag Nb


species: Pd V


species: F Sc


species: Cu Ni


species: Hf V


species: Ba Pb


species: Nb Sc

Wyckoff_letters_orig: b e


species: Cd Os


species: Cd Zr


species: Cl Ta

crystal_class_orig: ditrigonal-pyramidal


species: In Mg

Wyckoff_letters_orig: f g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: f g


crystal_class: hexoctahedral


species: O Zn

species_pp: O Zn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a

Wyckoff_letters: a a


species: Fe Pd


species: Cu Os


species: S Zn

species_pp: S Zn

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

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


species: Ge Te


species: Sc V


species: Cu Mg


species: Li O

Wyckoff_letters_orig: a b


species: Cr Si


species: Pd Ta

Wyckoff_letters: c d e


species: Mn O

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Li Ni


species: Re Ta

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Mo O

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters: e e e e e e e


species: Cu K

crystal_class_orig: ditrigonal-scalahedral


species: Mn Ru

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hg S

species_pp: Hg S

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


crystal_class_orig: ditetragonal-dipyramidal


species: F Zn

species_pp: F Zn

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: Li Zn

Wyckoff_letters_orig: a c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a c


species: Cd F

species_pp: Cd F

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


species: O V

Wyckoff_letters_orig: a e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: a i i i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: 2/m m m m m m m


species: O Zn

Wyckoff_letters_orig: a e e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e e


species: Cd O

species_pp: Cd O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: O Zr

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a


species: Mn Ni


species: Fe Mg

Wyckoff_letters_orig: a d

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a d


species: Ti V

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Mn O

Wyckoff_letters_orig: a b c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c c c

Wyckoff_letters: c c c c


species: Ga Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe S

Wyckoff_letters_orig: e f f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: e f f f

Wyckoff_letters: f f f f


species: F Li

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pt Ta


species: Co Ni


species: Fe Ni


species: Co Mg


species: Cr Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Co Mn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Bi O

Wyckoff_letters_orig: i i i


species: Li Mg

crystal_class: tetrahedral


species: Au Ru


species: Co F

species_pp: Co F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Nb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hf Os


species: Cs Hg

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal


species: Mg O

sg:
Aem2 #39
Cmme #67
Cmme #67

sg2:
Aem2 #39
Cmme #67
Cmme #67

Wyckoff_letters_orig: c d

Wyckoff_letters: g m


species: Ca Mn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hf Re


species: Tc Zn


species: N Zn

species_pp: N Zn

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Li Zn


species: Hg Ti


species: Ag Bi

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ca Fe

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca V


species: Nb O

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: I V

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Er Sn


species: Au Zn

species_pp: Au Zn


species: Cd Ru


species: F V

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Os Tc


species: Ag Ru


species: Li Sn


species: Cr O

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: O W

Wyckoff_letters_orig: j j j

Wyckoff_letters: j j j


Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: C Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Ti


species: O Ti

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: a a a a c b d d

Wyckoff_letters: d d d d d d

Wyckoff_letters: a a a a b c d d


species: Sc W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li O

Wyckoff_letters: c d


species: Mo O

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: Nb Zr


species: Mg Se


species: Fe V


species: Bi O


species: I Zn


species: Cr V


species: Ni O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: Ca O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e f


species: F Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Li


aflow_prototype_params_list_orig: a b/a c/a y2


species: Cu F


species: Rh Ta

crystal_class_orig: ditrigonal-dipyramidal


species: Mn O

Wyckoff_letters: g g


species: I Nb

Wyckoff_letters_orig: c f g h

Wyckoff_letters: c f g h


species: I Ni

aflow_prototype_params_list_orig: a c/a x2


species: I Ti


species: O Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O W

Wyckoff_letters: g h


crystal_class: ditetragonal-dipyramidal


species: Cd Ni


species: Mo Rh

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Mg


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


species: Cu Y


species: Co Li

aflow_prototype_params_list_orig: a c/a z2


species: Nb O


species: Ge O

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: h h


species: Au Ce

species_pp: Au Ce


species: O Yb

species_pp: O Yb


species: Gd Tl

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Bi O


species: O Zn

crystal_class_orig: monoclinic-prismatic


species: Ag Nb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Li O

crystal_class_orig: monoclinic-domatic


species: I V

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Li Zn

crystal_class_orig: hexoctahedral


species: F Sr

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Mn O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Mo O

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ag Ru


species: Cr Ni


species: Au Cu


species: Ag Re

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Hf

crystal_class_orig: ditrigonal-scalahedral


species: O Ta

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

Wyckoff_letters: a i e


crystal_class: ditrigonal-dipyramidal


species: Co F

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c c

Wyckoff_letters: a c

Wyckoff_letters: c c c


species: Ca F

crystal_class_orig: ditetragonal-dipyramidal


species: In O

crystal_class: hexoctahedral


species: V W

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f


species: Ca Li

crystal_class: dihexagonal-pyramidal


species: O W

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Li Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


crystal_class: ditrigonal-scalahedral


species: Li Ti

sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Ca Pb


species: Li Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Cu

crystal_class_orig: tetrahedral


species: Ni V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co W

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cr Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Fe


species: Cu Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu V


species: Cu W


species: Fe Mn


species: Fe Zn

crystal_class_orig: dihexagonal-pyramidal


species: Mn Mo

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn W

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ni Zn


species: W Zn


species: Co Mn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Ti


species: Co Zn

species_pp: Co Zn


species: Cr Cu

Wyckoff_letters: a d


species: Cr Mn


species: Cu Mn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Cu Mo


species: Fe V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Mn V

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mn Zn


species: Mo Ni


species: Ni Ti


species: Ti W

Wyckoff_letters_orig: a d


species: Hg In


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Pb


species: Ca Ta


species: Li Nb


species: Li Ta


species: Nb Rb


species: Hg Li


species: O Sm

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: c a


species: Dy V


species: Cu Dy


species: Ho Nd

crystal_class_orig: ditrigonal-dipyramidal


species: Ho Yb


species: Ce Fe


species: Cl K


species: Fe Yb


species: Ni Tb


species: Ce Nd

species_pp: Ce Nd


species: Ce Ni


species: Co Er


species: Ho Mn


species: Mn Nd


species: Mn Pm


species: Mn Pr


species: Co I

species_pp: Co I


species: Cr I

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: F Ta

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Hf Mo

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Mn Zr


species: Mo Y


species: O Sr

sg:
Ima2 #46
Imma #74
Imma #74

sg2:
Ima2 #46
Imma #74
Imma #74

Wyckoff_letters_orig: a b c

Wyckoff_letters: a e h

Wyckoff_letters: b e h


species: Pd Sc


species: Hg Ni

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Re Ti


species: Ta V

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ta Y

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu Re


species: Mo Os


species: Ni Zr


species: Pt W


species: Sc Zr


species: Co Nb


species: Ir Zn

species_pp: Ir Zn


species: Al O

species_pp: Al O


species: Cr Y

Wyckoff_letters: c g


species: Ag Ta


species: Mo Nb


species: Hf Nb


species: Mn Zr


species: Nb W

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Ca I

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: c c

crystal_class: tetrahedral

Wyckoff_letters: a b b

Wyckoff_letters: c c


species: Co I

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Wyckoff_letters: d h

Wyckoff_letters: g h


species: Cr I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n

Wyckoff_letters: d a


species: Fe I


Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b


species: I K

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: I Li

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: I Mg


species: I Si

species_pp: I Si

Wyckoff_letters_orig: f f f f f f f f

Wyckoff_letters: f f f f f f f f


species: I Zr


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: a b


species: I Sn

species_pp: I Sn


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a a b b

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

Wyckoff_letters: a a a b b

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


species: I Pb

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Cu Rh


species: I Sr

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a


Wyckoff_letters_orig: c c


species: Rh W

crystal_class_orig: hexoctahedral


species: Cr Ir

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ni Tc


species: Ag Mn


species: Cd Hf

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hf La

crystal_class_orig: dihexagonal-dipyramidal


species: Pt Ta


species: Au Mo


species: Hf Re

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Hf


species: Cr Ru

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Hf Ir

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ag Zn

species_pp: Ag Zn


species: Nb Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a c


species: Mn Tc

Wyckoff_letters_orig: a c


species: Hf Nb


species: Mo Nb


species: Mo Ta

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Nb Ta


species: Nb V


species: Ca O

Wyckoff_letters_orig: e e


species: Cu Nb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ru Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ag Pt

species_pp: Ag Pt


species: Au Hg

species_pp: Au Hg


species: Hf Sc


species: Tc Y


species: Ba Te

Wyckoff_letters_orig: g h


species: Au Mo


species: Ba O


species: Hg Y


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: La Ru


species: Cu Mg

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Co O

species_pp: Co O


species: Cu Li


species: Sc V


species: O Zr


species: Ni Ti


species: Nb Ti


species: Ca V


species: Mg O


species: Ga Ni

Wyckoff_letters_orig: c l

Wyckoff_letters: c l


species: O Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: B Co

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f i i i i j j j

Wyckoff_letters_orig: b i j

Wyckoff_letters: e f i i i i j j j

Wyckoff_letters: b i j


species: Li Zn


species: Ru Zr


species: I Tc

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: La Sn

species_pp: La Sn

Wyckoff_letters_orig: a c h

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a c h

Wyckoff_site_symmetries: mmm mmm 2mm


species: Ca Ti


species: Au Ti


species: Cd O

species_pp: Cd O


species: Nd Pt

species_pp: Nd Pt


species: Mn O

Wyckoff_letters_orig: f h i

Wyckoff_letters: f h i


crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a


species: I V

sg:
Pbcn #60
Pbcn #60
Pbcn #60


species: O Sc

Wyckoff_letters: e e


species: Nb Os


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O Y


species: F Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg O

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: g g

Wyckoff_letters: a g

Wyckoff_letters: g g


species: S Sn

species_pp: S Sn


species: Fe K


species: O V

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i


species: H Mo


species: F V

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: Dy O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Nb Zn

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a c


species: O W

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: f g i

Wyckoff_letters: f g i


species: Fe Ru

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Br Ca

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: K O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Cd Cu


species: I V

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_letters: b b

Wyckoff_letters: a b


species: Cr Pt

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ti Zr

crystal_class_orig: ditetragonal-dipyramidal


species: In O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Sc V

Wyckoff_letters_orig: a d


species: Nd P

species_pp: Nd P


species: Cu O

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


species: Au Cr


species: O V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: As Mn


species: Li O

Wyckoff_letters: e e e


species: O Ti

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


species: O Tc

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Li Mn

Wyckoff_letters: a d


species: Cu F

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: c d d d

Wyckoff_letters: a b d

Wyckoff_letters: c d d d


species: Os Rh

crystal_class_orig: diploidal


species: Pd Tb

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: g h h

Wyckoff_letters: g g

Wyckoff_letters: g h h


species: Nb O

crystal_class_orig: trigonal-trapezoidal


species: Mn Nb

sg:
Pnma #62
Pnma #62
Pnma #62


species: Co O

Wyckoff_letters_orig: i i i i

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

Wyckoff_letters: e f


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Si Ti

sg:
Pmm2 #25
Cmmm #65
Cmmm #65

sg2:
Pmm2 #25
Cmmm #65
Cmmm #65

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: a b c d


species: Fe Ti


species: Fe K


species: Cr O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c c c


species: O Pt

species_pp: O Pt


species: Co Mg


species: O Zn

species_pp: O Zn


species: Er Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Li


species: O Sn

species_pp: O Sn

crystal_class_orig: tetragonal-trapezoidal


species: La W

crystal_class_orig: tetrahedral


sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters: c c


species: O V


species: Ge Mo


species: F Mn

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: La Mn


species: Li Zn


species: Ag Ca

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Mo O


species: N Zn

species_pp: N Zn


species: Ga Mo

Wyckoff_letters_orig: a d


species: Cd O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: I Nb


species: Mn Sc


species: Fe 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: e e

Wyckoff_letters: c c c d e


species: O Yb

species_pp: O Yb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cu Fe

crystal_class_orig: monoclinic-prismatic


species: F Ge


species: Li O

Wyckoff_letters_orig: f e


species: F Mg

crystal_class: diploidal


species: Cr Ti

crystal_class: hexoctahedral


species: Ca K

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Rb Te


species: O Sc

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c


species: O Ti

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters: f e


species: O Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Pt


species: Br Si

species_pp: Br Si

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

Wyckoff_letters_orig: e e e e e

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

Wyckoff_letters: e e e e e


species: B Si

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cu K

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li Mg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mn O


species: Au Li

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe I


species: N Zr


species: Hg Y


species: O V

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: Sc Zn


species: Co Pt

species_pp: Co Pt

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Nb V

crystal_class_orig: hexoctahedral


species: Mg O


species: O Tc

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 n n n n m m m m m m m

Wyckoff_letters: m m m m

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


species: F Mn

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a b g g


species: Ni O

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral


species: C Fe

Wyckoff_letters_orig: a b g j

Wyckoff_letters: a b g j


species: Hf Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Rh


species: Ni Ti

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: b d g

crystal_class: rhombohedral

Wyckoff_letters: a d g

Wyckoff_letters: b d g


species: K Li

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Ni Ta

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e


species: Li Pb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Mo


species: Mo W

crystal_class: dihexagonal-dipyramidal


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Fe

Wyckoff_letters: c e d


species: Cu Ti


species: Mo Ni


species: Mo Zn

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Co Cu


species: Cr Cu

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu W

Wyckoff_letters: a d


species: Fe V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn Ti


species: Hg Ni


species: Hg In


species: F Ta

crystal_class_orig: ditrigonal-scalahedral


species: Ca Cs


species: Ca Nb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Ta


species: K Rb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4


species: K Ta

crystal_class_orig: ditetragonal-dipyramidal


species: Mg Rb


species: Nb Pb

crystal_class: tetrahedral


species: Cl Ta

Wyckoff_letters_orig: g i i

Wyckoff_letters: g i i


species: Dy O

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Cu Er


species: Dy Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Er Tb


species: Ho Tb


species: Ni W

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Nd V


species: Cr Tb


species: Dy Er


species: Dy V


species: Mn Sm


species: Pr V


species: Sm Tb


species: Tb V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Tb Zn


species: Hg I

species_pp: Hg I


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Ni


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Pd Rh

aflow_prototype_params_list_orig: a c/a


species: Ag Rh


species: Cr Nb


species: Fe Rh

Wyckoff_letters_orig: a d


species: Os Rh


species: Pd Ti


species: V Zr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn Sc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ni Os


species: Au La

species_pp: Au La

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: W Y

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Ag La

species_pp: Ag La


species: Cu Ho

Wyckoff_letters_orig: a c


species: Cd Pt

species_pp: Cd Pt


species: Cu Pd


species: Nb V


species: Hf Ta

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cd Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd Ti


species: La Ti


species: Ta W

Wyckoff_letters: a d


species: Ca I

sg2:
Pnma #62
Pnma #62
Pmmn #59

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: d e b a


species: Co I

species_pp: Co I

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Fe I

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: I Mg

crystal_class: monoclinic-prismatic


Wyckoff_letters_orig: e f


species: Be I


species: I Sn

species_pp: I Sn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a


species: I Sb

species_pp: I Sb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i


species: Ba I


species: I Pb

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c


Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cd Mn


species: Hg Ni

Wyckoff_letters_orig: a d


species: Pt Rh


species: Cu I

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: I Zn

species_pp: I Zn

Wyckoff_letters: c c


species: Al I

species_pp: Al I

Wyckoff_letters_orig: c f g h

Wyckoff_letters: c f g h


species: I Sr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: Au V


species: Hg Pd


species: Ni Os


species: Hf Ni


species: Hf Os

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cd Hg

species_pp: Cd Hg

crystal_class: ditetragonal-dipyramidal


species: Rh V


species: Nb Tc

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: W Zr


species: Ta Ti


species: Ti Zr

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Hf Mo

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Mo Nb


species: Nb Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Zr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: La Mo


species: Cr Sc


species: Pt Y


species: Au Pt

species_pp: Au Pt


species: Cu Ir


species: Cr Rh


species: Mo Se


species: Co Zr


species: O Sc

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Fe O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: F Fe

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ni Tb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Lu Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Zn

species_pp: O Zn

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Tb

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


species: O Ti


Wyckoff_letters_orig: a a


species: Mg S


species: Mo Ni


species: O V

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c


species: Ni O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr S


species: Ge Rb


species: S Sn

species_pp: S Sn


species: I Tc

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: a b

Wyckoff_letters: h k

Wyckoff_letters: a b


species: O Pb


species: Au Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca Ti

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Nb Ti


species: K O


species: Sn Te

species_pp: Sn Te


species: O Zn

Wyckoff_letters_orig: c c


species: Pd Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class_orig: tetrahedral


species: I Mn

Wyckoff_letters_orig: i i


species: H Sr

Wyckoff_letters: c c


species: Bi O


species: C Ce

species_pp: C Ce


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Cu O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: F Fe

crystal_class_orig: tetragonal-trapezoidal


species: Fe Re

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c


species: Co Li


species: O Ta

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

Wyckoff_letters: c d


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr Ti

sg:
Immm #71
Immm #71
Immm #71


species: Hg La

species_pp: Hg La


species: Fe Li

Wyckoff_letters_orig: a d