species: Ca Co

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a c

Wyckoff_letters: g h


species: O Sn

species_pp: O Sn

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-sphenoidal

point_group_type_orig: enantiomorphic

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: a a

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-sphenoidal

point_group_type: enantiomorphic

point_group_structure: dihedral

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: a a a a a

Wyckoff_letters: a a


species: Fe K

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Ca K

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Ni Os

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: a l

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

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: Pb Se

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: Ni O

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

Wyckoff_letters_orig: e e


species: I Tc

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: hexagonal-trapezoidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_relax: a c/a x2


species: Mn Rh

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

Wyckoff_letters_orig: c d

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_system: cubic


species: Os Zn

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

aflow_prototype_params_list_orig: a c/a x2


species: F Tl

crystal_class_orig: hexagonal-trapezoidal


species: Tc Zr

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: I V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Sc W


species: Mg O

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

point_group_type_orig: polar

point_group_structure_orig: cyclic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


species: I O

species_pp: I O


species: Cu Hg

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ag Ru


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c d d

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Wyckoff_letters: c d d


species: Au Hf

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Au Zr


species: Co F

species_pp: Co F


species: O V

Bravais_lattice_orig: MCLC

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_site_symmetries_orig: m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m

Wyckoff_site_symmetries: m m


species: Fe I

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral


Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

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: Cu Pd


species: I Li

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB


species: Cd Cs

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Hg Pt

species_pp: Hg Pt


species: Co K

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters: c d


species: Au Zn

species_pp: Au Zn

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a c

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Pb Se

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: Br H

species_pp: Br H


species: I Tc

crystal_class_orig: trigonal-trapezoidal


crystal_class_orig: dihexagonal-pyramidal


species: Ca Co


species: Cr Ni


species: C Li

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: a f

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: e f

Wyckoff_letters: a f


Wyckoff_letters_orig: e e e

Wyckoff_letters: g g h


species: O Tc

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

point_group_structure: cyclic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: a a a a


species: Li O


species: Cu Mo

Wyckoff_letters_orig: a h


species: I Ti

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

Wyckoff_letters: i i i i


species: Pb S

Bravais_lattice_orig: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

crystal_class: tetrahedral

point_group_structure: symmetric

aflow_prototype_params_list_orig: a b/a c/a


species: Bi Cs


species: Fe K

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr Li


species: Dy Ni

Wyckoff_letters_orig: c d


species: Fe O


species: O Tl

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f

Wyckoff_letters: a c


species: K O

Wyckoff_letters_orig: g l

Wyckoff_letters: g l

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: O Rb

sg2:
Pbcm #57
I4/mmm #139
Fmmm #69

Bravais_lattice_relax: ORCF

aflow_prototype_params_list_relax: a b/a c/a


species: Pb Rb


species: O Ta


species: Mo Zn


species: Cr Ti

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

point_group_Schoenflies: T

point_group_structure: alternating


species: Cr W


species: Cr Zn


species: Cu Mn


Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Fe Mn


species: Fe Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Fe W

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

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: Fe Zn


species: Mn Ti

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: Mo Ni


species: Mo Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


point_group_structure_orig: symmetric

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni Ti

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Ti V


species: V Zn


species: Co Cu

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Co Fe


species: Co Mn

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Co Ti


species: Co V


species: Cr Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Ti


species: Cu Mn


species: Mn V


species: Mo W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni W


species: Ni Zn


species: Cl Nb

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: Ba Hg

Wyckoff_letters_orig: e e f g

Wyckoff_letters_orig: a e e e e e e g h h h h i

Wyckoff_letters: e e f g

Wyckoff_letters: a e e e e e e g h h h h i


species: Hg In

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: Hg K


species: Hg Li


species: Hg S

species_pp: Hg S


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca Nb


species: Cs K


species: K Nb

Wyckoff_letters: a c


species: K Rb


species: Li Ta


species: Rb Ta


species: Cl Pb

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: F Nb

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cl K


species: Eu O

species_pp: Eu O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c d

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b d

Wyckoff_letters: a c d


species: O Yb

species_pp: O Yb

crystal_class: dihexagonal-pyramidal


species: Dy Ti


species: Nd Zn

species_pp: Nd Zn


species: Eu Zn

species_pp: Eu Zn


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cl Cs

crystal_class_orig: diploidal

crystal_class: diploidal


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Gd

species_pp: Co Gd

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters: a d


species: Ce Co

species_pp: Ce Co

Egap_DOS_type: metal

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Dy

crystal_class: dihexagonal-dipyramidal


species: Cr Er

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Er Eu


species: Ho Mn


species: Ni Tb

Wyckoff_letters_orig: a d


species: Sm Ti


species: Tb V


species: Ga I

Egap_DOS_type: insulator

crystal_class_orig: monoclinic-prismatic


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cd I

species_pp: Cd I


species: Cs I


species: I Pb


species: I Si

species_pp: I Si

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Cd W


species: Cr Re


species: Dy Fe


species: Cr Os

crystal_class_orig: dihexagonal-dipyramidal


species: Au 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: Hf W

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ru Zn

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr Nb


species: Cr Zr


species: Fe Y

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Hf Ru


species: Hg Pt

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cd Re

Wyckoff_letters: d i


species: La Mo

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ru Ti


species: Ag Cr

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


species: W Zr


species: Co Re


species: La Pd

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca I


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Fe I

Egap_DOS_type: half-metal

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

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


species: I K

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


Wyckoff_letters_orig: b b c a a a

Wyckoff_letters: b b c a a a


species: Ag I

species_pp: Ag I


species: I Sb

species_pp: I Sb

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: d d d e

Wyckoff_letters: d d d e


Wyckoff_letters_orig: a b c d e

Wyckoff_letters: c a


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg I

species_pp: Hg I


species: I Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: e e e e

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m m m


species: Hf Y


species: La Rh

sg:
Pnma #62
Pmmn #59
Pmmn #59

sg2:
Pnma #62
Pnma #62
Pmmn #59


species: Os Re


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Ga I


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Sr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Cs I


species: Cd Re


species: Hf Ti


species: Ce Ho


species: F Nb


species: Mo Y

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ti Zr

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Mo Ru

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Nb S

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a a b b b b b b

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a b b b b b b

Wyckoff_letters: a a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m m


species: Al Mo

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Ir Nb


species: Re Ti


species: S Zn

species_pp: S Zn

Wyckoff_letters_orig: b a d

Wyckoff_letters_orig: b a e

Wyckoff_letters: b a d

Wyckoff_letters: b a e


species: Nb Ta

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Ta Zr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf Mo

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Al Tc

Wyckoff_letters_orig: e f g

Wyckoff_letters: e f g


species: Hf Re


species: Mn Rh


species: Pr V

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Ag Se

Wyckoff_letters_orig: b b b a a a c c

Wyckoff_letters: a a a b b b c c


species: Cd Fe


species: Co La

species_pp: Co La


species: Ag Cd

species_pp: Ag Cd


species: Au Ta

crystal_class: ditetragonal-dipyramidal


species: La Pt

species_pp: La Pt


species: Re W


species: Co Hg

species_pp: Co Hg

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Cr Ta

Wyckoff_letters_orig: a l


species: Hg Zn

species_pp: Hg Zn


species: Hg W


species: I Mg


species: Pb Se


species: Al Pt

species_pp: Al Pt


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a


species: O Os


species: Nb O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Fe O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: f f

Wyckoff_letters: f f f f


species: S V


species: Eu Mn

Wyckoff_letters_orig: c g g

Wyckoff_letters: c g g


species: Ca Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Fe

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a

Wyckoff_site_symmetries: m m m m m m


species: O Pt

species_pp: O Pt

Wyckoff_letters_orig: e e


species: Cr O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Sr

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mn O


species: Ni O

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Bi Nd


species: O Sc


species: Ca Li


species: Mn Sc


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Li Zn

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Mo O


species: Ca F

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: Ir O

species_pp: Ir O

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Cr K

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Se Sn

species_pp: Se Sn


species: O Tc

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: c d e f k k

Wyckoff_letters: f f f k


Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: B I

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Fe O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Mo Sn


species: La Zn

species_pp: La Zn


species: O Sr

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b

Wyckoff_letters: f f


species: I V


species: Cr Mn


species: O W

Wyckoff_letters_orig: f g j

Wyckoff_letters: f g j


species: Fe S

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: b b b

Wyckoff_letters: b b b b


species: Li O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Rh

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ca Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: K O


species: O V


species: Cr K

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Zn


species: Hf Ta

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ge Li

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: c f f f f

Wyckoff_letters: c f f f f


species: Mn Ti


species: Tc Y

crystal_class_orig: ditrigonal-scalahedral

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: Ag Nb


species: F V


species: La Si

species_pp: La Si

sg2:
Pnma #62
Pmmn #59
Pmmn #59


species: F Mn

crystal_class_orig: trigonal-trapezoidal

aflow_prototype_params_list_orig: a c/a y2


species: Cu Mo

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Li

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cd Nb


species: Fe O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Br Ta


species: B Mo


species: Rh Zr


species: Cu Sc

Wyckoff_letters_orig: a b


species: La S

species_pp: La S


species: K Mg


species: As Nb

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i


species: O Sn


species: Cd Sc


species: Ca Mn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Re

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: F Li


Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: F Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ir O


species: Mo O


species: I Tc


species: I Nb

Wyckoff_letters_orig: c c d d d d d d d

Wyckoff_letters_orig: a c c d d

Wyckoff_letters: c c d d d d d d d

Wyckoff_letters: a c c d d


species: Ag Re


species: Cr V


species: Os Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cu Mg


species: O Sc


species: O Sb

species_pp: O Sb

Wyckoff_letters: a e d


species: Cr W


species: Mn W


species: Au Hg

species_pp: Au Hg

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: La V

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Pb Te


species: Nd Pb


species: Ca F

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Co Fe


species: Ca Cr

sg2:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal


species: I Ti

Wyckoff_letters_orig: e e e


species: Ni Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Cr Li


species: Cr O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: d i

Wyckoff_site_symmetries: 2/m m m m


species: Co O

species_pp: Co O


species: S Sn

species_pp: S Sn

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: tetragonal-scalenoidal


species: K Li

crystal_class_orig: dihexagonal-dipyramidal


crystal_class_orig: diploidal


species: O Sn

crystal_class: trigonal-trapezoidal


species: Mg O


species: Ca V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Fe


species: Rh Ru

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ge Te

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu O

sg:
Cmce #64
Pmma #51
Cmmm #65

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Mn W


species: Cr K

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: I Tc

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: O V


species: Cd Ti


species: F V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F Mn

crystal_class: diploidal


species: Co O

Wyckoff_letters_orig: a b


species: Cr Ni


species: O Pb

Wyckoff_letters: f c

Wyckoff_letters: a c


species: Se Sn


species: Co Hf

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: F Fe

Wyckoff_letters_orig: a a a


species: K O

crystal_class_orig: tetragonal-dipyramidal


Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


crystal_class: dihexagonal-dipyramidal


species: Co Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


crystal_class: dihexagonal-pyramidal


species: I W

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

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

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

Wyckoff_letters: a a a a


species: Ca Co


species: Pb S


species: Cr Li

Wyckoff_letters_orig: a c


species: Fe O

crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal


species: Ca Tc


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Au Cr

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Li Mg

Wyckoff_letters_orig: e e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e e


species: In Tb

Wyckoff_letters_orig: c f g

Wyckoff_letters_orig: c e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f g

Wyckoff_letters: c e


species: I Nb


species: Fe Ti


species: As La

species_pp: As La


species: Cu Pt

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: K Pb

Wyckoff_letters: a b


species: Ca Pb

Wyckoff_letters: c e d


species: I Ta

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Ni

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Co Mo

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Co W


species: Cu Fe

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Mn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cu W


species: Fe V


species: Fe Zn


species: Mo W


species: Ti V


species: V Zn


species: Co Fe

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Co Ni


species: Cr Cu

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Cu Mo


species: Fe Mo

sg:
Pnma #62
Pnma #62
Pnma #62


species: Mn Mo

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mo Ni


species: Ni V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cl Nb


species: Hg Mg


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb


species: Hg Rb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Pb

Wyckoff_letters_orig: f f f f

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: f f f f


species: Cs Rb


species: K Nb


Wyckoff_letters_orig: b d


species: K Ta


species: Mg Rb

Wyckoff_letters: b d


species: Hg Li


species: Cl Mg

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Ce O

species_pp: Ce O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g j

Wyckoff_letters: g h

Wyckoff_letters: g j


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: Ce Cr


species: Tb Ti


species: Co Cr


species: Ce Ti


species: Co Nd

species_pp: Co Nd


species: Cu Eu


species: Mn Pm


species: Pr Tb


species: Sm Ti


species: Ti Yb


species: V Yb


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Rb


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Hg I

species_pp: Hg I


species: Co Zr

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


species: Cr Sm


species: Mn Y


species: Ru Tc


species: Au Hg


species: Au La

species_pp: Au La


species: Y Zr


species: Cd Co

species_pp: Cd Co


species: Hg Ta


species: Au Tc


species: Cd W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co La

species_pp: Co La


species: Os Ta


species: Rh V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mo Nb


species: Ta Ti


species: Ni Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg O


species: Ag Cu


species: Os Y

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: V Zr


species: Ni Re

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cd Re

Wyckoff_letters_orig: a c


species: Co Os

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ca I


species: Co I

species_pp: Co I


species: Cr I

Wyckoff_letters_orig: d h

Wyckoff_letters: d h


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Fe I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: I K


species: I Li

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: I Mg


species: I Ni

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b

Wyckoff_letters: a b


Wyckoff_letters_orig: 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: Be I


species: Cd I

species_pp: Cd I


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: f f f

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a c


Wyckoff_letters_orig: i i i j j j j j j

Wyckoff_letters_orig: g j

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i j j j j j j

Wyckoff_letters: g j


species: I Pb

crystal_class_orig: ditrigonal-scalahedral


species: Ag Mn

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


species: La Pt

species_pp: La Pt


species: Cu I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

crystal_class: monoclinic-domatic


species: I Zn

species_pp: I Zn


species: Ga I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Au Fe

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Co Rh

sg:
Pmmn #59
Pmmn #59
Pmmn #59

crystal_class_orig: orthorhombic-bipyramidal


species: Cr Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Ag Au

species_pp: Ag Au

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Os

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Cu Zr

Wyckoff_letters_orig: a c


species: Re Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Hf


species: Cu Rh

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Hf Zr


species: Mo Zr

crystal_class: diploidal


species: Nb Ti


species: Ta Ti


Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Ta Zr


species: Nb W


species: Nb Zr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: V Zr


species: Cu Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe S

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Hg V


species: Ag Nb


species: Mg Se

sg:
Cmme #67
Cmme #67
P4/mmm #123

sg2:
Cmme #67
Cmme #67
P4/mmm #123

aflow_prototype_params_list_orig: a b/a c/a z2


species: Se Sr


species: Nb Ru


species: Hf La


species: Ir Ti


species: O Sn

species_pp: O Sn


species: Cd V


species: Ca K


species: Sn Te

species_pp: Sn Te


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Hf Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Yb

species_pp: O Yb


species: Cr S


species: O V

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: I Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Mg O

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e


crystal_class_orig: orthorhombic-pyramidal


species: Hg Nb

crystal_class_orig: dihexagonal-dipyramidal


species: O Pb

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: Li Tc


species: Cr K


species: O Si

species_pp: O Si

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Pb Se

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: a c


species: Ca Co


species: Ge S


species: Fe Li


species: I O

species_pp: I O

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: O Tb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Tc

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: O Zn

species_pp: O Zn


species: Mn O

Wyckoff_letters_orig: a c


species: Mo O

crystal_class_orig: tetragonal-dipyramidal


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ce P

species_pp: Ce P


species: Si Tb

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c c d

Wyckoff_letters: c d d


species: Ni Tc


species: Mn Sc


species: Ti V

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca Ti


species: I Nb

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: F Sr


species: Au Sn

species_pp: Au Sn

sg:
Ccce #68
Ccce #68
Ccce #68

sg2:
Ccce #68
Ccce #68
Ccce #68


species: Ge Te


species: Fe Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd Os


species: Fe I


species: Ge Th

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: K Mg

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Co


species: Li Ti


species: O Sn

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: Ca Mg

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ni O


species: Cr O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Co Mg


species: Sc Tc


species: Hf Hg


species: Cs Se


species: Ir Zr


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: I Nb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Tc


species: Co O

species_pp: Co O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


species: Nb Pt

crystal_class_orig: hexoctahedral


species: Al H

species_pp: Al H

sg:
Pnma #62
Imma #74
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters: e g


species: F Mg

crystal_class: tetragonal-scalenoidal


species: Ca Co

crystal_class: ditetragonal-dipyramidal


species: As V

crystal_class: orthorhombic-bipyramidal


species: O Tc

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: O W

Wyckoff_letters_orig: a b c d d f

Wyckoff_letters_orig: a d d d f

Wyckoff_letters: a b c d d f

Wyckoff_letters: a d d d f


species: I V

Wyckoff_letters_orig: a b


species: Sb V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Sc


species: Co Mg


species: Ca O


species: Mg O


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Cu F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ge Te


species: As Fe

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Nb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Au Ru

crystal_class: hexoctahedral


species: F La

species_pp: F La

Wyckoff_letters_orig: b f i

Wyckoff_letters: b c k


crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Fe Os

Wyckoff_letters: a b


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca Li


species: F Sr

sg2:
Ibam #72
Ibam #72
P4/mmm #123


species: Mn O


species: Os Zn


species: Ir Ta


species: Ti W


species: F Mn

Wyckoff_letters_orig: e e e e


species: O V

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hf V


species: V Zr


species: Bi Ti

crystal_class: tetragonal-dipyramidal


species: Pd Tb

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Rh W


species: Nb O


species: F V

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: F Ti

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: b d


species: O Sc

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: o i x

Wyckoff_letters: q k


species: F Ta

crystal_class: ditrigonal-scalahedral


species: Ca O

Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: a h i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O Pt

species_pp: O Pt

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Ca Cu

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Ti Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Sb

species_pp: O Sb

sg:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F Fe

crystal_class_orig: ditrigonal-scalahedral


species: Ni Pd


Wyckoff_letters_orig: c e h

Wyckoff_letters_orig: h h h

Wyckoff_letters: c e h

Wyckoff_letters: h h h


species: Cu Ir

crystal_class_orig: diploidal


species: Ni O


species: Au Y

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cr Ta

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Co O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: F K

Wyckoff_letters_orig: a f

Wyckoff_letters: a h


species: I W

Wyckoff_letters_orig: f f f f f f f f f f f

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f f f f f f f f f

Wyckoff_letters: f f f


species: Li Zn


species: Th Tl

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: c f g

Wyckoff_letters: c e

Wyckoff_letters: c f g


species: Cu K


species: Hg O

species_pp: Hg O

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: O Sn

Wyckoff_letters_orig: g g


species: Bi Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: h g o

Wyckoff_letters: g h o


species: F Mn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: F Sr

sg2:
Cm #8
Cm #8
Cm #8

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: Ca Mn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Nb Y

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Sc


sg2:
Pnma #62
Imma #74
Imma #74


species: La Tc


species: Cr V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Te V

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Pd Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F K


species: Li Ni


species: Li V


species: F Hf

crystal_class_orig: ditrigonal-pyramidal


species: Cu K

crystal_class_orig: orthorhombic-bipyramidal


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters: a h


sg:
Pmma #51
Pmma #51
Pmma #51


species: B Fe

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Cd Zr

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cd O

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: O Re

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


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

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Ir O

species_pp: Ir O

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cu F

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Mo Ni


species: Mo W

crystal_class_orig: monoclinic-prismatic


species: Ti W


species: Co Cu


species: Co Fe

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Co Ni

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Mo

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Fe

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu Mo


species: Cu Ti


species: Mn V


species: Mo Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo V

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: V W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Fe

Wyckoff_letters_orig: a h


species: Cr W

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cu Mn


species: Cu W


species: Fe Ti


species: Fe W


species: Mn Mo


species: Mn Ni

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn Ti


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo W


species: O Pb

Wyckoff_letters_orig: g g g g g g g g

Wyckoff_letters_orig: e f g g g

Wyckoff_letters: g g g g g g g g

Wyckoff_letters: e f g g g


species: Hg Rb


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg Yb

species_pp: Hg Yb


species: Ca Cs


species: K Ta


species: Mg Rb


species: Nb Rb


species: Pb Ta


species: Rb Ta

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Hg Li


species: F Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Eu O

species_pp: Eu O


species: Tb Zn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ce Fe


species: Co Yb

species_pp: Co Yb


species: Ce Co

species_pp: Ce Co


species: Cu Tb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Dy V


species: Er Fe


species: Gd Ti


species: Ho Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mn Nd


species: Mn Yb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Pm Zn

species_pp: Pm Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pr V


species: Ag I

species_pp: Ag I

crystal_class_orig: orthorhombic-pyramidal


species: Ba I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd I

species_pp: Cd I


species: Hf Mn


species: Nb Y


species: Rh Zn


species: Ta Ti

crystal_class_orig: dihexagonal-dipyramidal


species: Cd Ir

species_pp: Cd Ir


species: Nb Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Pd W


species: Cu Tc


species: Cr Hg


species: Ru W


species: Ta Y


species: Cd Os


species: Ce V


species: Fe Hf

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Au Hg

species_pp: Au Hg


species: Co I

species_pp: Co I

crystal_class: diploidal


species: Fe I


species: I K

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I Li


species: I Mg

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: I Ni

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: I Rb

Wyckoff_letters_orig: b b c a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b c a a a


species: I Zr

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: I Sn

species_pp: I Sn

crystal_class: ditetragonal-dipyramidal


species: Ba I


species: I Pb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ag Cr

crystal_class: orthorhombic-bipyramidal


species: Cr Pt


species: Mo Pt


species: W Zr


species: Ag W


species: Fe Os


species: Sc Ta


species: Hf Sc


species: Ta Ti


species: Hg Y

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ir Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Os


species: Os Ru

Wyckoff_letters_orig: c e


species: Re Sc


species: Ta W

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Hf Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hf Mo


species: Hf Nb

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Hf W


species: Nb Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ti Zr


species: W Zr


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ta Zr

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Os Pt


species: Ag Fe

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Au Cd

species_pp: Au Cd


species: Pt Rh


species: Re Zr


species: Ta Y


species: Cd Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ta Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Sc


species: Cr O


species: Cu Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ir Sc


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: e e


species: Cd W


species: Mo Tc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Li Mn


species: Ca Zn


species: Co Mo


species: O Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: Cu O

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: f e

Wyckoff_letters: g g

Wyckoff_letters: f e


species: Ir Tc


species: Fe S


species: Co Os

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a b c


species: I Tc

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Bi O


species: Re Zr

crystal_class_orig: dihexagonal-pyramidal


species: F V

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4


species: O Si

species_pp: O Si


species: Y Zr

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Pb Se


species: K O


species: Cr K

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Ca O

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: Co Pd

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Li Ni


species: F Mg

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


Wyckoff_letters_orig: d e


species: Cd O

species_pp: Cd O


species: Cu O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Nb


species: Ag Hf

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Pb Rb

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Fe Mg


species: Cr Mo

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Ni


species: Sb Zn

species_pp: Sb Zn

crystal_class: tetragonal-scalenoidal


species: F Zn

species_pp: F Zn


species: Mn O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Zn


species: Hg O

species_pp: Hg O


species: F Xe

species_pp: F Xe

crystal_class: monoclinic-prismatic


species: Br Sr

crystal_class_orig: orthorhombic-bipyramidal


species: I Ti


species: O V

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Cd Zn

species_pp: Cd Zn

crystal_class_orig: ditetragonal-dipyramidal


species: O Pt

species_pp: O Pt

Wyckoff_letters: a a


species: Ca Co

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cl Xe

species_pp: Cl Xe


species: O Ru

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co O

species_pp: Co O


species: Cr O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Pr

species_pp: O Pr

crystal_class_orig: diploidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ge Te


species: Cd Pt

species_pp: Cd Pt


species: Ag Mo


species: Cd O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e


species: Ti Zr


species: O Sn

species_pp: O Sn

crystal_class_orig: triclinic-pinacoidal

reciprocal_lattice_type_orig: TRI

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

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

reciprocal_lattice_type: TRI

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

Wyckoff_letters: i i i i


species: S Sn

species_pp: S Sn


species: Ca Ni

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Ti


species: Cr Ti

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Co F

species_pp: Co F

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: O Rh

crystal_class_orig: trigonal-trapezoidal


species: S Zn

species_pp: S Zn

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

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


species: Ca Cr

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cu Mo

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Pb

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: H Ta

sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c


species: Ca Mn


species: K Li

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ca K

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ca Cu


species: F Fe

crystal_class_orig: orthorhombic-pyramidal


species: Ag La

species_pp: Ag La

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Pt

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Pt Ta

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Mn O


species: Cu Mg

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Mg


species: Ca Li


species: F Ni


species: O Tc

crystal_class: dihexagonal-pyramidal


species: Ge Te

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_letters: g i

Wyckoff_letters: i i j


species: Cr O

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Pt Ru


species: Fe O


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li O

Wyckoff_letters_orig: a a


species: Fe Zr


species: F Ti

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Co F


species: Cu Mn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Pb Se


species: Li Ti


species: I Ti


species: Ga Ti


species: Hg Pd


species: Au Sm


species: I Nb


species: Fe K


species: Cu Mg


species: Rh Ta

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Nb Pt


species: Bi O

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: Co Rh


species: C Re


species: O Sc

Wyckoff_letters_orig: g h


species: F V

Wyckoff_letters_orig: e f f f f


species: Sc Zr


species: Fe Ti

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ni O


species: Pb Te


species: K O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: d i i

Wyckoff_site_symmetries: 2/m m m


species: Fe Hf


species: Pb S

crystal_class: ditrigonal-pyramidal


species: Dy O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Cu


species: Au Cu

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Cd Zn

crystal_class: ditetragonal-dipyramidal


Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: Mg Se


species: H I

species_pp: H I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c e e e e

Wyckoff_letters: a c e e e e


species: Mg Nb


species: Co Mn


species: Co Ti


species: Cr Mo


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Ni


species: Cu Zn


species: Fe Mo


species: Mo Ni


species: Co Mo

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b e


species: Cu Fe


crystal_class: hexoctahedral


species: Cu V


species: Mn V


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mo V


species: Ni Ti


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ni W


species: W Zn


species: Ca Cl

crystal_class: diploidal


species: Hg S

species_pp: Hg S


species: Hg Rb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb


species: Cl Nb


species: Cs K


species: Cs Nb


species: K Nb


species: K Rb


species: Mg Rb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Pb


species: Rb Ta


species: Hg Li


species: F Ta


species: Cl Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Pb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Mg


species: Cr Gd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pm V


species: Ce Cr


species: Ni Sm


species: Ho Tb


species: F Pb


species: Mn Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ce V


species: Cr Yb


species: Er Gd


species: Gd Ti


species: Gd V


species: Hf Mo


species: Ho Mn


species: Co I

species_pp: Co I


species: Cs I


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hg I

species_pp: Hg I


species: Hf Mn


species: Hf Ni


species: Ni Rh


species: Pd Rh


species: Ta Zr


species: Ag Re

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Os W


species: Pd V


species: Au Cu


species: Fe Rh


species: La Ta


species: Au Hf


species: Au Zn

species_pp: Au Zn


species: Re Zr


species: Cu La


species: Pm V


species: Co Ru


species: Pd Re


species: Cu Tc


species: Gd Pm

species_pp: Gd Pm


species: Ir Zn

species_pp: Ir Zn


species: Be Se


species: Co Pd


species: Zn Zr


species: Mn Ta


species: Ni Sc


species: Ti Y


species: Ag Pt

species_pp: Ag Pt


species: Ca I


species: Cr I


species: Fe I


species: I K

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: I Li

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: I Mg


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Be I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: b a a a a

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

Wyckoff_letters: b a a a a

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


species: Cd I

species_pp: Cd I


species: I Pb

Wyckoff_letters_orig: d b i

Wyckoff_letters: b e


species: Au Tc


species: Cu I


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e f


species: Al I

aflow_prototype_params_list_relax: a c/a y2


species: Ni Tc


species: Mn Pd

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ag Y


species: Cd Pt

species_pp: Cd Pt


species: Cd Ni


species: Ba N


species: Ag Mo


sg2:
Immm #71
Immm #71
Immm #71


species: Ta Zr


species: Hf Nb


species: Hf Ta

crystal_class: ditrigonal-scalahedral


species: Hf Ti


species: Mo Nb


species: Mo Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb V


species: Ta W

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mo Ti


species: Re Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ta Ti


species: Ta V


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Rh W


species: Sb Si

species_pp: Sb Si


species: Ag Co

species_pp: Ag Co


species: Fe Nd

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe La


species: Hf Nb


species: Ag Zn

species_pp: Ag Zn


species: Mo Ru


species: O Sn

species_pp: O Sn


species: O Sr

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: a g f j

Wyckoff_letters: c b

Wyckoff_site_symmetries: mmm mmm mmm 2mm

Wyckoff_site_symmetries: mmm mmm

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


species: Cd O

species_pp: Cd O


species: O Ti


Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Pt

species_pp: O Pt


species: Co O

species_pp: Co O


species: H Mg


species: Mo O

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cu Ni


species: Bi Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe S

Wyckoff_letters_orig: a a b c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a a b c c

Wyckoff_letters: c c c c


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Mn

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

Wyckoff_letters_orig: b c c c c c c

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

Wyckoff_letters: b c c c c c c


species: S Zn

species_pp: S Zn


species: Li O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Ni O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a


species: Li Ti


species: Hg O

species_pp: Hg O

Wyckoff_letters_orig: a b

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: F Sr


species: I Tc

Wyckoff_letters_orig: e e


species: Ca Tc

aflow_prototype_params_list_orig: a c/a z2


species: O Pd

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Pd Tc

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: I Ta

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i


species: Co O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O W


species: Cd Pt

sg2:
Pnnm #58
Immm #71
Immm #71


species: O Pt


species: O Tc


species: Ca Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca K


species: He N

species_pp: He N

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I V


species: Ca F

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Co Hf

crystal_class_orig: ditrigonal-scalahedral


species: Ge Se

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Ru Ti


species: Cu O


Wyckoff_letters_orig: a d


species: Ba Ge


species: Li Mg

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca O

sg:
Pbcm #57
Pmma #51
Pmma #51

sg2:
Pnma #62
Pbcm #57
Pmma #51

Wyckoff_letters_orig: c c

aflow_prototype_params_list_relax: a b/a c/a z2


species: Pt Ta


species: O Sn

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: O Si

species_pp: O Si

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: a c d e

Wyckoff_letters: a c d e


species: In O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Se Zn

species_pp: Se Zn


species: Co O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Fe Li


species: B Dy

Wyckoff_letters_orig: e h j

Wyckoff_letters: e h j


species: Cr F

sg:
Ibam #72
Ibam #72
Cmmm #65

sg2:
Ibam #72
Ibam #72
Cmmm #65


species: La Ru

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ga Se


species: Ba Pb

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: c f g

Wyckoff_letters: c e

Wyckoff_letters: c f g


species: Pd Re

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: F V


species: Cd Te

species_pp: Cd Te


species: Ge O


species: Ti W


species: Fe Zr


species: O Re

crystal_class: orthorhombic-sphenoidal


species: Fe Hg

Wyckoff_letters: c c


species: Ca Zn

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Mn O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca Mn


species: Li Tc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b


species: La Nb

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Tb

sg:
Pbcn #60
Pbcn #60
Pbcn #60


species: Se Sn

species_pp: Se Sn

crystal_class: ditetragonal-pyramidal


species: O Sn

Wyckoff_letters_orig: c c


species: Ca Fe

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l

aflow_prototype_params_list_orig: a b/a c/a x3


species: Cr F

aflow_prototype_params_list_orig: a c/a x2


Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Zn Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Ti


sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a g i n

Wyckoff_letters: c f

Wyckoff_letters: a g i n


species: Mg O


species: Li O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


species: Ir Re


species: Ca K


species: I Ni


species: I V


aflow_prototype_params_list_orig: a c/a


species: I Mn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: O Ti

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h i

Wyckoff_letters_orig: g h

Wyckoff_letters: g h i

Wyckoff_letters: g h


species: Hf Zn


species: Fe Li

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Ti

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a b/a c/a


species: Cr Re

Wyckoff_letters: a b


species: F Fe


species: Fe Mg

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Co O


species: Nd Te

species_pp: Nd Te

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c c


species: Mo W


species: Ag Ru


species: Fe O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c d


species: Cu Hg


species: Mo O

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

crystal_class_orig: orthorhombic-bipyramidal


species: Ru Tc

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Tc

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


species: N Se

species_pp: N Se

Wyckoff_letters_orig: a a

crystal_class: dihexagonal-pyramidal


species: Cu O

Wyckoff_letters_orig: e e


species: Bi Cu

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Co Pt

species_pp: Co Pt

Wyckoff_letters_orig: c c


species: O Zn

species_pp: O Zn

crystal_class_orig: dihexagonal-pyramidal


species: O Sn

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

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


species: Hf Ru

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Al Ce

species_pp: Al Ce

Wyckoff_letters_orig: a a b b c c c c

Wyckoff_letters_orig: a c

Wyckoff_letters: e d


species: O Pr

species_pp: O Pr


species: Ga Pt


species: Ca O

Wyckoff_letters_orig: c c c c


species: Ce H

species_pp: Ce H

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Te

species_pp: O Te


species: O W


species: Fe O

Wyckoff_letters_orig: d a


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a c k


species: Ag La

species_pp: Ag La


species: O Tc


species: Cd F

species_pp: Cd F


species: O Ti


species: I Mn


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: O Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Bi O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Fe Rh


species: Ni O

Wyckoff_letters: a c


species: Fe Zr


species: O Pd


species: Ir Pt

species_pp: Ir Pt

sg:
Pmma #51
Pmma #51
Pmma #51


species: Ca Pb


species: K Pb

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Li Pb


species: Mg Nb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Ta


species: Cr Mo


species: Cr W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Mn

crystal_class_orig: diploidal


species: Fe Zn


species: Mn Mo

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Mo W

Wyckoff_letters_orig: a h


species: V W


species: Co Cr


species: Co Cu


species: Co W


species: Cr Fe


species: Cr Ni


species: Mn Ti

Wyckoff_letters_orig: a l


species: Mn V


species: Mo V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Pb

Wyckoff_letters_orig: b c e e g

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b c e e g


species: Hg K


species: Hg Mg


species: Hg Rb

crystal_class: ditetragonal-dipyramidal


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Li Nb

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Li Rb

crystal_class: hexoctahedral


species: Nb Rb


species: Hg Li


species: F Pb

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: O Pr


species: Fe Pr


species: Ce Dy


species: Mn Sm

Wyckoff_letters_orig: a c


species: Ho Yb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr Dy

Wyckoff_letters: a h


species: Cr Gd


species: Dy Er

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Dy Ti

crystal_class_orig: dihexagonal-dipyramidal


species: Fe Gd


species: Nd Zn

species_pp: Nd Zn


species: Pm Zn

species_pp: Pm Zn


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Fe O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i

Wyckoff_site_symmetries: 2/m m m m m


species: Hf Ru

crystal_class_orig: hexoctahedral


species: Nb Ti


species: Pt Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Tc W


species: Co La

species_pp: Co La


species: Fe Rh

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: La Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Au Zn

species_pp: Au Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Rh Ti


species: Ta V

Wyckoff_letters: c d e


species: Au Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au Rh

Wyckoff_letters: a c


species: Cu Ir


species: Pt Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ti Zr


species: Cu Re


species: Au Sc


species: Co Hg

species_pp: Co Hg

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ni Ta


species: Ru Y


species: Ta Zr


species: Ir Ti


species: Nb Tc


species: Cd Zn

species_pp: Cd Zn


species: Pt Ti

Wyckoff_letters_orig: a f


species: Ca I

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: Co I

species_pp: Co I


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 I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Fe I

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I K

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: I Mg

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b


species: Be I

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ag I

species_pp: Ag I


species: I Sb

species_pp: I Sb

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b f i

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: b f i


Wyckoff_letters_orig: e f

crystal_class: ditrigonal-scalahedral


species: I Zn

species_pp: I Zn


crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


crystal_class_orig: ditrigonal-scalahedral


species: Al I


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a a

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

Wyckoff_letters: a a a a a

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


Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Ga I

Wyckoff_letters_orig: b d


species: Ca Cu

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a


species: Pd Pt


species: Ag La

crystal_class: dihexagonal-dipyramidal


species: W Zr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Au Cd

species_pp: Au Cd


species: Ba Pd


species: Cd Zr

crystal_class_orig: ditetragonal-dipyramidal


species: Ag Pt

species_pp: Ag Pt


species: Ag V


species: Nb Rh

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ag Cu

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hf La

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hf Mn


species: Hf Mo


species: Mo Nb

Wyckoff_letters: b d


species: Nb Ta


species: Nb Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb V


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


crystal_class_orig: dihexagonal-pyramidal


species: Ta W

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: V Zr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ag Ir

species_pp: Ag Ir


species: Hf Nb

Wyckoff_letters_orig: b e

Wyckoff_letters: b c


species: Nb Zr

crystal_class_orig: dihexagonal-dipyramidal


species: Ta Zr

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


Wyckoff_letters_orig: b c


species: Cu Pd

Wyckoff_letters: c e d


species: Nb Se

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Pt Ti


species: Pt Zn

species_pp: Pt Zn


species: Cu Tc


species: Re Ti


species: Co La

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Eu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn O


species: Co O

species_pp: Co O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: F Ti

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a


species: Cu F

Wyckoff_letters: a a


species: Ca Tc


sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ni Tb

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Ca H

Wyckoff_letters_orig: i i i i i j j

Wyckoff_site_symmetries_orig: m m m m m 1 1

Wyckoff_letters: i i i i i j j

Wyckoff_site_symmetries: m m m m m 1 1


species: N W

Wyckoff_letters_orig: f o

Wyckoff_letters: f o


species: I Tc

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: F Fe

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


crystal_class_orig: diploidal

crystal_class: diploidal


species: Ta Tc

crystal_class: ditetragonal-dipyramidal


species: Mo Sc


species: F V

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c c


species: C Mo


crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Ni O


Wyckoff_letters_orig: g i i

Wyckoff_site_symmetries_orig: 2 m m

Wyckoff_letters: g i i

Wyckoff_site_symmetries: 2 m m


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I V

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: S Sn

species_pp: S Sn


species: Al Li

sg2:
Cmce #64
Cmce #64
I4/mmm #139

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: d e f

Wyckoff_letters: e i

Wyckoff_letters: h d


species: O Pb


species: Cr Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: F Sc


species: As Sm


species: O Sn

species_pp: O Sn

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_letters_orig: a a a b b b b b b

Wyckoff_letters: a a a a a a a a a

Wyckoff_letters: a a a b b b b b b


species: Cr K

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ag Au

species_pp: Ag Au


species: Fe Hf

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Fe

crystal_class_orig: hexagonal-trapezoidal


species: Ca Co


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Sb Y

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g


species: O Zn

species_pp: O Zn


species: Sn Te

species_pp: Sn Te


species: O Sb

species_pp: O Sb


species: Cr Hf

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Ca Cr

aflow_prototype_params_list_orig: a c/a x3


species: F Zr

Wyckoff_letters_orig: i j j j k k

Wyckoff_letters: i j j j k k


species: Nb O

crystal_class_orig: triclinic-pedial

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

Wyckoff_letters: i i i i i


species: O Rh

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: N Zr

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: a i i i

Wyckoff_letters: i i i i

Wyckoff_letters: a i i i


species: Cd Cs

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Ru

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: Co K

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Ta

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h

Wyckoff_letters: a h


species: I V

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Hf Re

crystal_class_orig: tetragonal-dipyramidal


species: Bi O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: C N

species_pp: C N

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c c c c


species: Cr Mg


species: Co Zn

species_pp: Co Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Pd Sn

sg:
Ccce #68
Ccce #68
Ccce #68

sg2:
Ccce #68
Ccce #68
Ccce #68


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ca Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cd Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Sn


species: O Ti


species: O Zn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co V

Wyckoff_letters_orig: b f

Wyckoff_letters_orig: h k

Wyckoff_letters: b f

Wyckoff_letters: h k


species: Li O


species: Cl Hg

species_pp: Cl Hg


species: Br Ta

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: Fe O


species: Dy Zn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b f n n

Wyckoff_site_symmetries_orig: mmm 2mm ..m ..m

Wyckoff_letters: a g

Wyckoff_letters: b f n n

Wyckoff_site_symmetries: mmm 2mm ..m ..m


species: Fe Mg

crystal_class_orig: dihexagonal-dipyramidal


species: Cd Cr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Mn


species: Au Ge

crystal_class_orig: ditrigonal-pyramidal

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

crystal_class: ditrigonal-pyramidal

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


species: Se Ti


species: K O

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


species: Bi O


species: O Os

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


aflow_prototype_params_list_relax: a b/a c/a y2


species: Be F

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: Cr Sc


species: Nb O


species: La Nb


species: O Si

species_pp: O Si


species: F Ti

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Cu O

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


species: I Ti

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


species: F V

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Li Mg


aflow_prototype_params_list_relax: a c/a z2


species: Ca O

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Ge S


species: I V

crystal_class_orig: monoclinic-domatic


species: Cr Li


species: Fe Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h

aflow_prototype_params_list_orig: a c/a z3


species: Sc Ta

crystal_class_orig: tetrahedral


species: Al Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ni O

Wyckoff_letters_orig: i i

Wyckoff_letters: c c


species: Co La

species_pp: Co La


species: Cr O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: O Sr

crystal_class_orig: diploidal


species: Ni Rh


species: S Zn

species_pp: S Zn

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Cu Mg


species: Ir O

species_pp: Ir O


species: Ta V

Wyckoff_letters_orig: b e

Wyckoff_letters: b c


species: O Os

crystal_class_orig: tetragonal-trapezoidal


species: Au W

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Nb O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: d a


species: F Ir

species_pp: F Ir

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: Be H

Wyckoff_letters_orig: a j

Wyckoff_letters_orig: j k

Wyckoff_letters: a j

Wyckoff_letters: j k


species: Ca Co


species: Ca Mg

crystal_class_orig: hexoctahedral


species: Co F

species_pp: Co F

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Zn

Wyckoff_letters_orig: c c


species: Co Li


species: Cu Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ca O


species: Au La

species_pp: Au La

crystal_class: tetragonal-dipyramidal


species: O Zr

crystal_class: tetrahedral


species: Mg O


species: Hg Ru


species: Hg Sc


species: Cd Pd


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c c c c d e e d d d e e d d d d c c e c d a c c d a c a a

Wyckoff_letters_orig: d e e d c d d c e c e d c d a d d c c e c d a c c d a c a a

crystal_class: ditetragonal-pyramidal


species: Ir Re

crystal_class: diploidal


species: I Li


species: Pb S

crystal_class: ditetragonal-dipyramidal


species: Mo V

Wyckoff_letters_orig: a h


species: Ca Mn


species: I Ti

Wyckoff_letters_orig: c d


species: Pd Rh

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe K

crystal_class: orthorhombic-bipyramidal


species: Ca Cr


species: Cr O


species: Ca Fe

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: La Zn

species_pp: La Zn

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

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


species: F Sn

species_pp: F Sn

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e g i


species: O Pb

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Cu Ru


species: O Rh

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


species: O V

crystal_class_orig: triclinic-pinacoidal

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

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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i i i i

Wyckoff_letters: i i i i a c


species: I V

crystal_class: hexoctahedral


species: Ca Co

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b d


species: Co O

species_pp: Co O


species: Ca O

sg:
Pccn #56
Immm #71
Immm #71

sg2:
Pccn #56
Pccn #56
Immm #71

Wyckoff_letters_orig: c e

Wyckoff_letters: a f


Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Li Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Pd

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: I Ni


species: Ca N

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


species: F Ti

Wyckoff_letters_orig: g i i

Wyckoff_letters: g i i


species: I Ti

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: F Mg


species: Ca I

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Ti V


species: Ca Cu

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: F Zr

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


species: Ca Li

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g


species: Bi O


species: O Pb

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h i

Wyckoff_letters_orig: e g h

Wyckoff_letters: g h i

Wyckoff_letters: e g h


species: Fe K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg Pb


species: O Re

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c

crystal_class: hexagonal-trapezoidal


species: Sn Te

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mg O

Wyckoff_letters_orig: a b


species: I Nb

crystal_class_orig: hexagonal-trapezoidal


species: F Mn

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: O V

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: a k

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: k l

Wyckoff_letters: a k


species: K Pb


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: I Ta

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters: a c


species: Mg Nb


species: Ti W


species: Co Cr


species: Co Mo


species: Co Ni


species: Co Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co V

Wyckoff_letters_orig: c i

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a b/a c/a x3


species: Co W


species: Cr Mn


species: Cu V


species: Mo Zn


Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Ni V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ni Zn

Wyckoff_letters: a b


species: V Zn


species: Co Mn

Wyckoff_letters_orig: a h


species: Cr Fe

crystal_class: monoclinic-prismatic


species: Cr Ni


species: Cr V


species: Cr Zn

aflow_prototype_params_list_relax: a c/a x2


species: Cu Zn

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Fe Mn

crystal_class: dihexagonal-dipyramidal


species: Mn Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mn Zn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ni Ti

Wyckoff_letters_orig: a d


species: Ti W

Wyckoff_letters_orig: a c


species: Ca Cl

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


species: Hg Ho

aflow_prototype_params_list_relax: a c/a


species: Hg K


species: Hg Mg


species: Hg Se

species_pp: Hg Se

aflow_prototype_params_list_orig: a b/a c/a x2


species: Hg Te

species_pp: Hg Te


species: Ca Nb

Wyckoff_letters: c d e


species: Cs K


species: Cs Li

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cs Rb


species: Li Nb

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Li Ta


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cl Nb

crystal_class_orig: hexagonal-pyramidal


species: O Pb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Al O

species_pp: Al O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Sm


species: Er Tb


species: Fe Pm

Wyckoff_letters: a d


species: Er Mn


species: F Nb


species: Ce Gd

species_pp: Ce Gd


species: Ce Zn

species_pp: Ce Zn


species: Cr Er

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mn Pr


species: Mn Sm


species: Nd Zn

species_pp: Nd Zn

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a x4


species: I In


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Ni


species: Ag Sc


species: Cd Y


species: O Os

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


species: Tc V


species: Au Sc

aflow_prototype_params_list_relax: a c/a x3


species: La Tc


species: La V


species: Cd Hg

species_pp: Cd Hg


species: Mo Re

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Cd Os

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Cu Ta


species: Pd Y


species: Sc V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg La

species_pp: Hg La

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe O

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Ni Sc

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Au W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ir Pt

species_pp: Ir Pt


species: Co Dy

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Pd

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: La Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ca I


species: Cr I

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Fe I

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a


species: I K

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: I Li

crystal_class_orig: dihexagonal-pyramidal


Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: I Si

species_pp: I Si

Wyckoff_letters_orig: f f f f

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: i i


species: I Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ag I

species_pp: Ag I

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Cd I

species_pp: Cd I

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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


crystal_class: tetrahedral


species: Ba I


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c

Wyckoff_letters: c c c c


sg:
Pbcm #57
Immm #71
I4/mmm #139

sg2:
Pbcm #57
Pbcm #57
I4/mmm #139


species: Hf Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu I

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Pt


species: Ni Zr


species: Pt Y


species: Ru Tc


species: Co O

Wyckoff_letters_orig: a a a a b b

Wyckoff_letters: a a a a b b


species: Ir Nb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Sc Ta


species: La V


species: Pt Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf Tc


species: Sc Y


species: Cd Cr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Nb Pd


species: Ir Os

Wyckoff_letters_orig: c i

Wyckoff_letters: d i

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


species: W Zr


species: Hf V


species: Mo Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb Ti

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Nb W


species: Ag Hg

species_pp: Ag Hg

crystal_class_orig: hexoctahedral


species: Ag Ni


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f

Wyckoff_letters: c e


species: Li Ti


species: O Zn

species_pp: O Zn

crystal_class_orig: monoclinic-domatic


species: O Sn

species_pp: O Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: Ho O


species: Co K

crystal_class_orig: ditrigonal-dipyramidal


species: Pb S

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Nb O


species: Ca Mg


species: Li Zn


species: O Pd

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Ca Cu


species: O V

crystal_class_orig: diploidal


species: Er O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_letters: a b

Wyckoff_letters: b b


species: Fe K


species: O Pt

species_pp: O Pt

sg:
Ibam #72
Ibam #72
Cmmm #65

sg2:
Ibam #72
Ibam #72
Cmmm #65

crystal_class_orig: orthorhombic-bipyramidal


species: Cu F


species: Cd Rh

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: F Zn

species_pp: F Zn


species: Mn Te


species: Co F

species_pp: Co F

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a g i n

Wyckoff_letters: c f

Wyckoff_letters: a g i n


species: F Fe

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Ir Mo

crystal_class_orig: dihexagonal-dipyramidal


species: Cd Y

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ni O

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: Pb S

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: Cd O

species_pp: Cd O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Ag Fe