species: O Si

species_pp: O Si

crystal_class: tetragonal-trapezoidal


species: Co Cr

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

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

point_group_type: centrosymmetric

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

aflow_prototype_params_list_relax: a c/a


species: O Zr

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m 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 i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m

Wyckoff_site_symmetries: m m


species: Ca Cu

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


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

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic


species: Co Te

species_pp: Co Te

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: diploidal

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_family: cubic

crystal_system: cubic

crystal_class: diploidal

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Fe Li

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC


species: N Pd

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

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: g g

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

Wyckoff_letters: g g


species: Mg Te

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: O Sc

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: hexagonal-trapezoidal

point_group_type_orig: enantiomorphic

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: j l l m

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: hexagonal-trapezoidal

point_group_type: enantiomorphic

point_group_structure: dihedral

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: j l l m


species: Ca O

crystal_class_orig: dihexagonal-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a d


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mg Se


species: O Ta

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: f f f f f f f f

Wyckoff_letters_orig: a b c c c d e f f f

crystal_system: trigonal

crystal_class: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: f f f f f f f f

Wyckoff_letters: a b c c c d e f f f


species: O Sr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g


species: V Zn

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


species: Mg O


species: Ag Mn

crystal_class_orig: dihexagonal-dipyramidal


species: O Pt

species_pp: O Pt


species: Ca Mg

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: c c

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: c c


species: O W

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m m

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m m


species: Hf Hg

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: F Ni

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Wyckoff_letters: a a


species: Cd Re

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Ir Ni

crystal_class_orig: hexoctahedral


species: Fe K

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: a e

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Wyckoff_letters: a e


species: O Ru

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

aflow_prototype_params_list_orig: a b/a c/a


species: Os Ta

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: La Re


species: Mo O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Li Mn

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: c d e

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: c e d


sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mg Nb


species: Cr V

crystal_class: ditrigonal-dipyramidal


species: Fe Mo


species: Mo V


species: Ni Ti


species: Ni V


species: Ti Zn

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: V W


species: V Zn


species: Co Cr

Wyckoff_letters_orig: h i


species: Co Mn

crystal_class_orig: ditrigonal-scalahedral

reciprocal_lattice_type_orig: RHL

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: Cr Mo

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Wyckoff_letters_orig: a i

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: a f

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


species: Cr Ti


species: Cu Mn

Wyckoff_letters_orig: c i

Wyckoff_letters: d i

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


species: Cu V


species: Ti W


Wyckoff_letters_orig: a d

Wyckoff_letters: a d

aflow_prototype_params_list_relax: a c/a z3


species: W Zn


species: F Nb

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: i j

Wyckoff_letters: i i i j j j

Wyckoff_letters: i j


species: Hg Ho

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: Hg K

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


aflow_prototype_params_list_orig: a c/a x3


species: Hg O

species_pp: Hg O


species: Hg Rb


species: Hg Se

species_pp: Hg Se


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: F Ta

sg:
Pnma #62
Pnma #62
Pmmn #59

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li Ta


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Nb Pb


species: Nb Rb

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Pb Ta


species: K Nb


species: F Pb

crystal_class_orig: tetragonal-trapezoidal


species: F K

crystal_class_orig: ditetragonal-dipyramidal


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: g h h h

Wyckoff_letters: g h h h


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Sm Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Nd


species: Ho Sm


species: Dy Fe


species: Ho Zn


species: Sm Ti


species: Cl Pb


species: Ce Mn

Egap_DOS_type: metal


species: Cr Tb


species: Dy V


species: Er Ti


species: Mn Nd


species: Mn Sm


species: Nd V


species: Pm Pr

species_pp: Pm Pr


species: Tb Ti


species: Be I

Egap_DOS_type: insulator

sg:
Ibam #72
Ibam #72
Ibam #72

crystal_class_orig: monoclinic-prismatic


species: Cd I

species_pp: Cd I


species: I Ni


species: Au Cr


species: Er V


species: Hg Zn

species_pp: Hg Zn


species: Pt Ru


species: Rh Ti


species: Fe Pd


species: Fe Zr

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Hf Ru


species: Hg Sc


species: Ni Zr


species: O Ti

sg:
Cmce #64
Cmce #64
Ccce #68

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Ru Y

sg:
Pnma #62
Pnma #62
Pnma #62


species: Au Ru


species: Cr Nb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Y

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a f


species: Ir Os


species: Os Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a h


species: O W

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: c c c d e

Wyckoff_letters: c c c d e


species: Pt Rh

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a z3


species: Ag Ta


species: La W


species: Ta Zn

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: Mo Sc


species: O Zn

species_pp: O Zn


species: Ca I

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a a b c e


species: Co I

species_pp: Co I

Egap_DOS_type: half-metal

crystal_class_orig: triclinic-pinacoidal

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i

reciprocal_lattice_type: TRI

Wyckoff_letters: i i


species: Fe I


Wyckoff_letters_orig: a a


species: I K

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: I Li

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f

Wyckoff_letters: a c


species: I Mg

crystal_class_orig: hexagonal-trapezoidal


species: I Ni


species: I Zr

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


species: Ag I

species_pp: Ag I


species: Ba I

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: I Pb

Wyckoff_letters_orig: f f f f f f f f

Wyckoff_letters: f f f f f f f f


species: Ce S

species_pp: Ce S


species: O Re

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Os Ti


species: Cu I

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b l

Wyckoff_site_symmetries: mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x4

aflow_prototype_params_list_relax: a b/a c/a x4


species: Al I

species_pp: Al I

Wyckoff_letters_orig: d i

Wyckoff_letters_orig: c g i i j

Wyckoff_letters: d i

Wyckoff_letters: c g i i j


species: Ir Ti


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Tc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Au Ta


species: Ge Ir

Wyckoff_letters_orig: a a c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a c


species: Mn Ru

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Pt V

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Cr Sc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Hf Ti

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: Mo Rh

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: V Y


species: Ta Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hf V


species: Ta W


species: Hf Zr

Wyckoff_letters_orig: d e


species: Mo Ta

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

aflow_prototype_params_list_orig: a b/a c/a x2


species: Nb V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ag Bi


species: Fe Te

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


species: Mo Re

crystal_class: monoclinic-prismatic


species: Pd Sb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg Ru

Wyckoff_letters_orig: a e


species: Hg Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pd Se

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: La Ni

Wyckoff_letters: b c

aflow_prototype_params_list_relax: a c/a x3


species: Ag Ru


species: Ni V


species: Pd Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd V


species: Mn Zn


species: O Tb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sr

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Fe Ru

crystal_class_orig: diploidal


species: Li Ni


species: Mg O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Li V


species: Ir O

species_pp: Ir O


species: Ti Zr


species: Ta Y

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co K


species: Ca Fe


species: Fe Li

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Cr Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Ca Co


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: B Co


species: O Pb


species: S Sn

species_pp: S Sn


species: I V


species: Cu Mg

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mg Si

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a i i

Wyckoff_letters: i i i


species: Cr Mg


species: Ca Ga

Wyckoff_letters_orig: a b f h

Wyckoff_letters_orig: e f

Wyckoff_letters: a b f h

Wyckoff_letters: e f


species: Re Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O V

Wyckoff_letters_orig: a a


species: Co Sc


species: Sc Ti


species: Pb Te


species: Nb Re

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co Cu

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ag Re

Wyckoff_letters_orig: a d


species: Pb S


species: Ge Mn

point_group_Schoenflies: T

point_group_structure: alternating


species: F Pr

species_pp: F Pr

Wyckoff_letters_orig: b f i

Wyckoff_letters: b f i


species: Cd Cu

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

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


species: Ru Si

Wyckoff_letters_orig: e e e e f g h i i

Wyckoff_letters: e e e e f g h i i


species: N Pr

species_pp: N Pr


species: Pb Se


species: O W

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f

Wyckoff_letters: a c


species: Li Tc


species: Li Ni

Wyckoff_letters: a d


species: Co Ho

Wyckoff_letters_orig: a c c d h

Wyckoff_letters_orig: c c

Wyckoff_letters: a c c d h

Wyckoff_letters: c c


species: Cl Sc

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: 2/m m m


species: Pt Zn

species_pp: Pt Zn

crystal_class_orig: dihexagonal-dipyramidal


species: F Ti


species: Co F

species_pp: Co F


species: Li Mg


species: O Sc

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Co Tc


species: Bi O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cd W


species: Ca K

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: In Tb


species: Ba C


species: La Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O W

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i i


species: I Mn


species: Y Zr


species: Ni O


species: Cr Mo


species: B Tc

crystal_class_orig: dihexagonal-pyramidal


species: Mn O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O V

crystal_class: dihexagonal-pyramidal


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: c i

Wyckoff_site_symmetries: 2/m m m m


species: Ca Zn

crystal_class_orig: hexoctahedral


species: Co K

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: N Si

species_pp: N Si


species: Cr O

crystal_class_orig: orthorhombic-pyramidal


species: Co Ni


species: Co Nb


species: Fe Mg


species: Mo V


species: I Tc

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c

crystal_class: orthorhombic-bipyramidal


species: Ca Mg

Wyckoff_letters_orig: a c

crystal_class: hexoctahedral


species: F Sr

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Pt Y

crystal_class_orig: ditetragonal-dipyramidal


species: Hg Tc

crystal_class: dihexagonal-dipyramidal


species: O Sr

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O Ti

crystal_class_orig: monoclinic-prismatic


Wyckoff_letters_orig: h h h

Wyckoff_letters_orig: c e h

Wyckoff_letters: h h h

Wyckoff_letters: c e h


species: O Tl

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


species: Hf N


species: Cr F

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Fe Li


species: Nb Ru

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class: hexagonal-trapezoidal


species: F Nb

Wyckoff_letters_orig: b h


species: Li O

Wyckoff_letters: a c


species: O Pb


species: O Sn

species_pp: O Sn

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: Fe K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Zr


species: Ga Hf


species: Li Sn

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: b e

Wyckoff_letters: a e

Wyckoff_letters: b e


species: Fe O

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a b

Wyckoff_letters: g g e f


species: F Sr

crystal_class_orig: orthorhombic-bipyramidal


species: C Y


species: Li V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: K O


species: Cr Sc


species: Cr K


species: F Mg


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: Ge O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e


species: Mg O


species: Mn O


species: Fe Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ca V


species: Ca K


species: Fe Mg


species: I V

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: m m o

Wyckoff_letters: i m

Wyckoff_site_symmetries: m m 1


crystal_class: diploidal


species: Co Ta


species: Co Cr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni O


species: Cu F


species: Al V


species: S Sn

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: a e f f f

Wyckoff_letters: f f


species: Pb Te


species: K O


species: Hf Ir


species: Li O


species: Cr Re

crystal_class: tetrahedral


species: Sc V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Te

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58


species: O Sr

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Sn

Wyckoff_letters_orig: a c


species: F Sr

Wyckoff_letters_orig: c c


species: H S

species_pp: H S

sg:
Cccm #66
Cccm #66
Cccm #66

sg2:
Cccm #66
Cccm #66
Cccm #66

Wyckoff_letters_orig: g i l l m

Wyckoff_letters_orig: l l

Wyckoff_letters: g i l l m

Wyckoff_letters: l l


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: .m .m


species: Lu Tl


species: Fe W


species: Ca Cr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: F Li

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Cmcm #63
Cmcm #63


species: Nb O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b

Wyckoff_letters: c c


species: K Pb


species: Li Pb


species: Pb Rb


species: Mn Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ti Zn


species: Co Cr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Mo


species: Cr Mn


species: Cr Zn

crystal_class: ditrigonal-dipyramidal


species: Cu Ni

crystal_class: ditrigonal-scalahedral


species: Mo Zn


species: Ni V

Wyckoff_letters: a c


Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: W Zn


species: Co V

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cu W


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Ni


species: Fe Ti


species: Mn Mo


species: Mn Ni

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mo V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


Wyckoff_letters_orig: a c


species: Hg In


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: c c


species: Hg Yb

species_pp: Hg Yb

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ca Ta


species: Cs K

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cs Mg


species: Li Rb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Li Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mg Rb


species: Nb Pb


species: Nb Rb


species: Ce O

species_pp: Ce O


Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g j

Wyckoff_letters: g h

Wyckoff_letters: g j


species: Mn Sm


species: Co W


species: O Pb

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c


species: Er Zn


species: Ce Fe


species: Cr Er


species: Cr Sm

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Gd


species: Er Pm


species: Er Pr


species: Pr Ti


species: Pr Zn

species_pp: Pr Zn

Wyckoff_letters: a c


species: Hg I

species_pp: Hg I


species: I In

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ag Ir

species_pp: Ag Ir


species: Sc Ti


species: Sc V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Zn Zr


species: Au Zn

species_pp: Au Zn


species: Nb Os


species: Ag Ni


species: Ir Mo


species: Ru W


species: Cl H

species_pp: Cl H


species: Hf Tc


species: Ir Ti


species: Re Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a b/a c/a


species: I Tc

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: Nb Ni

Wyckoff_letters_orig: a c


species: Os Rh

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Pr

species_pp: Co Pr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Eu Pm

species_pp: Eu Pm


species: Hf Rh

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hg Re


species: Hg Zr


species: Mo Tc


species: Ta Ti


species: Cr Ta


species: Fe Y


species: Au V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Au Pd


species: Ir Pt

species_pp: Ir Pt


species: Ca I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co I

species_pp: Co I

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j


Wyckoff_letters_orig: a a


species: Cr I

Wyckoff_letters_orig: n m


Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: d a

Wyckoff_letters: c a f


species: Fe I


species: I Li

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Ni

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Be I

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Si

species_pp: I Si


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f


species: I Sn

species_pp: I Sn

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: I Pb

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Hg Zr


species: Re Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Rh Y

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cu I

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: c c

Wyckoff_letters: a b b

Wyckoff_letters: c c


sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: I Zn

species_pp: I Zn

crystal_class: ditetragonal-dipyramidal


species: I Sr

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: n n

Wyckoff_letters: c b e


species: Cs I

crystal_class_orig: diploidal


species: Mn Rh

crystal_class_orig: ditrigonal-dipyramidal


species: Ni Pd

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Dy V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hf Ni


species: Mn Zr

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Hg Sc

crystal_class_orig: dihexagonal-dipyramidal


species: Ir La

species_pp: Ir La


species: Mn Ru


species: Hg Ru


species: O Rb

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: b f h i

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: b f h i


species: Re Zr

crystal_class_orig: hexoctahedral


species: Au Ti


species: Hg Os


species: W Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hf W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hf Nb

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mo Zr


species: Nb Ti


species: Ba O


species: Ag Ti


species: Cr Tc


species: Co Li

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Mg


species: Nb Sc


species: F Mn

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e


species: Ir Ti


species: Co Sc


species: Ca K


species: O Ta

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cd F

species_pp: Cd F

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Te Y


species: La Ru


species: Bi Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Li


species: K O

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: Dy N


species: O Zr

crystal_class_orig: ditetragonal-dipyramidal


species: Ca O

sg2:
Cm #8
Cm #8
Immm #71

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-bipyramidal


species: Fe Mg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Zn

species_pp: O Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a b

crystal_class: hexoctahedral


species: Hf Ru


species: S Y


species: Mn O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co W


species: Ge S

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_letters: g i

Wyckoff_letters: i i j


Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Mg O

crystal_class_orig: orthorhombic-pyramidal


species: Ag Ir

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Au V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Sn Te

species_pp: Sn Te


species: Ca Tc


species: O Ti

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: f g j i

Wyckoff_letters: f g j i


species: O Os

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: a c

Wyckoff_letters: c f


species: W Zn


species: O W


species: Mn Ti


species: Cr K


Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: H Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: O Zn

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


species: Sc Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Re Ti


species: Hf Nb


species: K Li

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: O Ru

crystal_class_orig: orthorhombic-sphenoidal


species: Ca Cu

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca Co


species: I Ti


species: I V

crystal_class: dihexagonal-dipyramidal


species: Rh Ta


species: O Sn

species_pp: O Sn

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: O V


species: F Ti

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Cu Mn


species: Fe O

Wyckoff_letters_orig: a f f f g k k

Wyckoff_letters_orig: c g g g g j j j

Wyckoff_letters: a f f f g k k

Wyckoff_letters: c g g g g j j j


species: O W

Wyckoff_letters_orig: a a a a a


species: I Nb


Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a


species: I Tc

Wyckoff_letters: c a


species: Pd Te

Wyckoff_letters_orig: e e e e e e e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e e e e e e

Wyckoff_letters: e e e e


species: Li Ti

crystal_class_orig: tetrahedral


species: Li Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Li


species: Mg Se

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Pt Ta


species: Ag Bi


Wyckoff_letters_orig: e e e e f g h i i

Wyckoff_letters: e e e e f g h i i


species: O Si

species_pp: O Si

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

crystal_class: gyroidal

point_group_Schoenflies: O


species: Mn W

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ca Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: I Ti


species: Ca V

crystal_class_orig: tetragonal-dipyramidal


species: Cu F

Wyckoff_letters: a a


crystal_class_orig: ditrigonal-pyramidal


species: F Zn

species_pp: F Zn


species: Co Li

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cd Y

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co O

species_pp: Co 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: Cr W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg Te


species: Fe Nb

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mn Sb


species: I Nb

Wyckoff_letters_orig: a a a a b b b b

Wyckoff_letters_orig: b b b b

Wyckoff_letters: a a a a b b b b

Wyckoff_letters: b b b b


species: V Zn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O W

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


species: K Mg


species: I V

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Se Th

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Ti W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Re Ru


species: Ca K

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Cd Ta


species: Hg Pt

species_pp: Hg Pt


species: O Ti


species: Fe I


species: Ca O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a b c


species: F Li

Wyckoff_letters_orig: b a


species: N Pd

Wyckoff_letters_orig: b c


species: Fe Zn


species: Mo Ru


species: I Ti

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: O V


species: O Pm

species_pp: O Pm


species: Sc Zr


species: Ca Zn


species: P Yb

species_pp: P Yb


species: Cr F

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni O

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Cs Se

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

crystal_class_orig: orthorhombic-pyramidal


species: Hg Ti

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: O Zn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

crystal_class_orig: orthorhombic-bipyramidal


species: H Nb

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Li Zn


species: Cr Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ni Pd

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: I Nb

crystal_class: ditrigonal-scalahedral


species: K O


crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a


species: Cr O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: H Ta

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a b e e f f f g g g g g g

Wyckoff_letters_orig: h h h h h h h

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: a b e e f f f g g g g g g

Wyckoff_letters: h h h h h h h


Wyckoff_letters: b c


species: Cr Pt


species: Ca V


species: Ca Fe


species: K S

Wyckoff_letters_orig: c c


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters_orig: a d


species: Ni Ta

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Co Mn


species: K Pb


species: Mg Nb

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Ta

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b c d e

crystal_class: tetrahedral

Wyckoff_letters: a b c d e


species: V Zn


species: Co Ni


species: Co V


species: Cr Cu


species: Cr Zn

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Mn Ni

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mo V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ni Ti


species: V W


species: Cr Fe


species: Cu Fe

Wyckoff_letters: c c


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Ti


species: Fe W


species: Mo Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mo Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ni Zn


species: Ti V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cl Nb

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cl Pb

crystal_class_orig: monoclinic-prismatic


species: F Li


species: Hg S

species_pp: Hg S


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hg Y

crystal_class_orig: dihexagonal-dipyramidal


species: Hg In

crystal_class_orig: diploidal

crystal_class: diploidal


species: Hg Li


species: Hg Se

species_pp: Hg Se


species: Ca Cs

crystal_class: ditetragonal-dipyramidal


species: Ca Rb


species: Nb Rb


species: Ce O

species_pp: Ce O


species: Er O


species: O Pr

species_pp: O Pr

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d e f


species: Gd Ni


species: Mn Pm


species: Ni Pm


species: Eu O

species_pp: Eu O


Wyckoff_letters_orig: a b c

crystal_class: rhombohedral

Wyckoff_letters: a b c


species: Cu Tb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ho Nd


species: Pr Zn

species_pp: Pr Zn


species: Tb Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Pb

Wyckoff_letters_orig: h g o

Wyckoff_letters: g h o


species: I Ta

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i j j j

Wyckoff_letters: a d g h


species: Mo Ti

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Sm V

crystal_class_orig: ditrigonal-scalahedral


species: Ce Cu


species: Ce Zn

species_pp: Ce Zn


species: Co Er

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Cu Nd


species: Cu Ni

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Er V


species: Fe Sm

crystal_class_orig: ditetragonal-dipyramidal


species: I Ni


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ba I

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: I Si

species_pp: I Si

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ag Au

species_pp: Ag Au

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Hf Mo

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Mn Tc

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Sm Yb

crystal_class: dihexagonal-dipyramidal


species: Co Y

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Au Pt

species_pp: Au Pt


species: Ru Sc


species: Ag Pd

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Ir

species_pp: Cd Ir


species: Cd Zr

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cu Zr

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ag Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pb Se


species: Ti Zr


species: Ag Cr


species: Nb Tc


species: C Pr

species_pp: C Pr


species: Ag Mn


species: Au Sc


species: Cd Pd


species: Ce Zn


species: Os Ru


species: Cd Hf


species: Os Zn


species: Co I

species_pp: Co I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


species: I K

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Li


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Ni

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


crystal_class_orig: orthorhombic-sphenoidal

crystal_class: hexagonal-trapezoidal


species: Be I


species: Ge I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Rb

aflow_prototype_params_list_relax: a b/a c/a y2


species: I Zr

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Ag I

species_pp: Ag I


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: a b g g

Wyckoff_letters: a b g g


species: I In

Wyckoff_letters_orig: c g i i j

Wyckoff_letters_orig: d i

Wyckoff_letters: c g i i j

Wyckoff_letters: d i


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Hg I

species_pp: Hg I


species: I Pb

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag Pd

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Os

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ir Mo


species: Mn Tc


species: Au Fe

crystal_class_orig: ditrigonal-dipyramidal


species: Pt Zn

species_pp: Pt Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Re Ru

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Eu Zn

species_pp: Eu Zn


species: Mn Os

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Nb Ni

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu Hf

Wyckoff_letters: d e


species: Fe Pt


species: Hg Zr


species: I Mn


species: Pd Tc


species: Au Ni


species: Fe Ir


species: Cd Cr


species: Mn Nb

sg:
Pnnm #58
Pnnm #58
Pnnm #58


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hf Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo Ta


species: Nb W


Wyckoff_letters: c g


species: Ta Ti


species: Ta V


species: Ti Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Nb


species: Mo Zr


Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: V Zr


species: Au Pt


species: Cr Re


species: La Rh


species: Pd Te


species: Co Pm

species_pp: Co Pm


species: Cu Y

Wyckoff_letters_orig: c i


species: Hf Y

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Pd Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ag V


species: Ni Y


species: Ag Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Hg Os

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Os Pt


species: Tc Ti

Wyckoff_letters: a d


species: Bi Ti


species: O Pr

species_pp: O Pr


species: Br In

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: O Re

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


species: Sc Zr

Wyckoff_letters_orig: a d


species: Cd Zr


species: Co K


species: O Tl

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: Ni O


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O V

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i

Wyckoff_letters: d i i i


species: I Tc


species: Ir Rh


species: F Ni

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

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: 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 Pb

Wyckoff_letters_orig: a b c

Wyckoff_letters: b a c


species: Au Be

crystal_class_orig: tetrahedral


crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-scalahedral


species: Sc Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Mn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: Nb O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Co Li

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: I Ti


species: F Ti

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e e

Wyckoff_letters: f f f

Wyckoff_letters: e e


species: V Zr

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Ti


species: Ca O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_site_symmetries_orig: 2/m m m m m


species: I Mn


species: Ag Tc

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: P Pd

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Be Pt

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Mg


species: Li Ti

Wyckoff_letters_orig: b f


species: Cr Os


species: Cr Pd


species: F V

Wyckoff_letters_orig: e f


species: Pd Ti


species: Ca Fe

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ta V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nd O

species_pp: Nd O


species: Fe S

Wyckoff_letters_orig: c c


species: Mo O


species: Cu O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b


species: Ag B


species: W Y


species: Ca V

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Ni Ta

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

Wyckoff_letters: e e f f


species: F K


species: Ca I


species: Mg Xe


species: F Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O V

sg:
Pban #50
Pban #50
Pban #50

sg2:
Pban #50
Pban #50
Pban #50

Wyckoff_letters_orig: e g h i

Wyckoff_letters: e g h i


species: Bi Cs


species: O Ti


species: O Sn

crystal_class: tetrahedral


species: Pb Se

crystal_class_orig: hexagonal-trapezoidal


species: Ir O

species_pp: Ir O


species: Er Ru

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb Os


Wyckoff_letters: g g


sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters: c c


species: Sc Zn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e


Wyckoff_letters_orig: a a


species: O Zr

Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

Wyckoff_letters: a c h p

Wyckoff_letters: b g

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: I Mg


species: Cr Nb


species: Fe Hg

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F K


species: Bi Ti


species: N Ru


species: I V

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Fe O


species: Ca Co


species: K O


species: Ca I


species: Cr Fe

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mg N


species: Ca Cu


species: Fe Mg


species: F Fe

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f


species: Ca Li


species: Sc V

sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: F Mn

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Li Mg

Wyckoff_letters_orig: c c


species: Rh Ta


species: Li Tc


species: Co Mg


species: Ca K


Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Cl Ru


species: Co Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e e


species: O Tc

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: O Sn


species: Ca Co

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F Nb

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: d a


species: Mn O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: I Tc


species: Cu O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: O Ta

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Fe Pt


species: Hg O

species_pp: Hg O

crystal_class_orig: orthorhombic-pyramidal


species: I Mg


crystal_class_orig: triclinic-pedial

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

Wyckoff_letters_orig: a a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

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

Wyckoff_letters: a a a a a a a a


species: Nb Ta

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: K Li

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c

Wyckoff_letters: a b d


species: Hf Hg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: O W

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: Nb O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e

Wyckoff_letters: e e e e e


crystal_class: hexoctahedral


species: Pb Rb


species: Co O

species_pp: Co O

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: a b c e h i i

Wyckoff_letters_orig: h h h i i i

Wyckoff_letters: b a c e h i i

Wyckoff_letters: h h h i i i


crystal_class: dihexagonal-dipyramidal


species: Cr Ti


species: Cr Zn

Wyckoff_letters_orig: c d


species: Cu Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Mo Ni


species: Mo Zn


species: Ti V


species: V Zn


species: Co Cr


species: Co Mn


species: Co Ti


species: Cr Fe


species: Cu V

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


species: Cu Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Fe Mn


species: Fe Ti


species: Ni Ti


species: Ni V


species: Ti W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters: c e d


species: Ti Zn


species: F Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Pb

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Cl Nb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a


species: Hg K

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Mg


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ca Nb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: K Nb


species: K Ta

Wyckoff_letters_orig: b d


species: F Ta

Wyckoff_letters_orig: i i i j j j j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j j j j

Wyckoff_letters: g j


species: Hg Li


species: Cl Rb


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Pb


species: Cr Yb


species: Eu Mn


species: Eu Sm


species: Ho Ti


species: Nd Tb


species: Cr Dy

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Tb Zn


species: Ce Fe


species: Ce Eu

species_pp: Ce Eu

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d


species: Co Ho


species: Co Nd

species_pp: Co Nd


species: Cu Dy


species: Cu Yb


species: Dy Yb


species: Er Ho

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Eu Ni


species: Fe Ho


species: Fe Tm


species: Gd Sm


species: Ho Yb


species: Ni Pm


species: I Pb


species: Ag I

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Co Os


species: Hf Mo


species: Fe Tc


species: Co Nb


species: Ir Zn

species_pp: Ir Zn


species: Ta Zn

Wyckoff_letters_orig: c c


species: Ag Fe


species: V Y

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hf Hg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pd Ru


species: Os Sc

crystal_class_orig: tetrahedral


species: Hf Pd


species: Ir Mo


species: Ir Nb


species: Rh V


species: Ca I

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a h


species: Cr I

crystal_class_orig: dihexagonal-dipyramidal


species: Fe I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I Li

crystal_class_orig: diploidal

crystal_class: diploidal


species: I Mg

Wyckoff_letters: g f


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


crystal_class_orig: ditetragonal-dipyramidal


species: I Ni


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: I Zr

Wyckoff_letters_orig: e g

Wyckoff_letters: e g

Wyckoff_letters: b d


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ag I

species_pp: Ag I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: e b i


species: I In

crystal_class: orthorhombic-pyramidal


species: Hg I

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: I Pb

Wyckoff_letters_orig: c d d d

Wyckoff_letters_orig: a b d

Wyckoff_letters: c d d d

Wyckoff_letters: a b d


species: I Tc

Wyckoff_letters_orig: a c


species: Cu I

crystal_class_orig: hexoctahedral


crystal_class_orig: orthorhombic-pyramidal


species: I Zn

species_pp: I Zn

Wyckoff_letters: c c


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Mo Os


species: Mo Ru

crystal_class: ditetragonal-dipyramidal


species: Cd Pd


species: Hg Rh


species: Pd Si

crystal_class: tetrahedral


species: Pt Y


species: Ir Os


species: Mn Nb

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Au Ta


species: Ba S


species: Cr Sc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Pt

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Hf Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Rh Ti


species: Hf V

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf Nb

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


species: Hf W

Wyckoff_letters_orig: c c


species: Nb Ti


species: Ta Zr


species: Ag Mo

Wyckoff_letters: a c


species: Fe Ta


species: Re Tc

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Y Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ag W


species: Au La

species_pp: Au La

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co Hf


species: Co Os

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cd Ta


species: Ru Sc


species: Hg Pd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Au Nb


species: Nb Se


species: I Mn


species: Fe I


species: Cd O

species_pp: Cd O


species: Fe Os


species: Co Li


species: O Ti

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a b c


species: Cr Mn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O V

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a


species: Co O


species: F Zr

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I V

Wyckoff_letters_orig: c d


species: F Mn

Wyckoff_letters_orig: k k l

Wyckoff_letters: k k l


species: Ca V


species: K O


species: Ni O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: H Zr


species: Cu Ru


species: Ag Ti


species: Mn O


species: Fe I


species: Zn Zr


crystal_class_orig: ditrigonal-dipyramidal


species: Pt Zr


species: Mn Pt


species: Fe Mg


species: Ge Te

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: O Ta

Wyckoff_letters_orig: e f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f f


species: O Ti


species: C Ni

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Sn


species: Fe Pt


species: Re Rh


species: Cd O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Mg Te

crystal_class_orig: orthorhombic-sphenoidal


species: F V

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters_orig: c c d i

Wyckoff_letters: c c f h i j k

Wyckoff_letters: c c d i


species: Pt Sc

Wyckoff_letters_orig: b d

crystal_class: hexoctahedral

Wyckoff_letters: b d


species: F Ti

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Cr O

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c


species: O Sr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ir V

Wyckoff_letters_orig: l l o

Wyckoff_letters_orig: e e f f m m

Wyckoff_letters: l l o

Wyckoff_letters: e e f f m m


species: Pt Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Ta


species: V Zr


species: Ca Ni


species: O Ru

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Pb Te


species: Pb S

crystal_class: dihexagonal-dipyramidal


species: F Fe

Wyckoff_letters_orig: a a a

Wyckoff_letters: c d


species: La P

species_pp: La P


species: Ge Se


species: Fe P


species: O V

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e i j

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e i j


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: a a


species: Ag Cr


species: C Ge

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Hg O

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Ca Mn


species: Ba Ge


species: Cu Re

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Mn

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a


species: Sc V

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Au Ti

crystal_class_orig: tetrahedral


species: O Re

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: N W


species: Cd Rh


species: Hf Re

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Cu Zr

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Mg


species: Cr O

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


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Nb W


species: K Mg

crystal_class_orig: ditrigonal-scalahedral


species: Cr Ti


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr Zn

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: I V

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Eu O

species_pp: Eu O


species: Mo Rh


species: Ge O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: Re Tc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Au Hg

species_pp: Au Hg

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sc

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Co O

sg2:
Pnma #62
Pmma #51
Pmma #51

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a b c c c c


species: Li Mn

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a c


species: Ni S

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

Wyckoff_letters_orig: c c c c c c c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: f a g c c

Wyckoff_letters: h h h

Wyckoff_site_symmetries: .m .m .m


species: I Tc

Wyckoff_letters_orig: e e e


species: H Zr

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Pb Te


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c c c c b b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c c c b b


species: Ho N


species: Hf O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


Wyckoff_letters_orig: a a

Wyckoff_letters: a b


species: Cd Hf


species: O Ti

crystal_class: tetrahedral


species: O Zr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe Mg


species: Co F

species_pp: Co F

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: Cr F


species: Ge H

sg:
Pnma #62
Pnma #62
Pmmn #59


species: F Ti

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Cr O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Al Pr

species_pp: Al Pr

crystal_class: orthorhombic-bipyramidal


species: Cr Li

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mg O

Wyckoff_letters_orig: c c


crystal_class: monoclinic-prismatic


species: F Tl


species: O W

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Ir Re


species: I Mg


species: Ta Te


species: I Tc

Wyckoff_letters_orig: e e


species: Nb Sc

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: a b c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c c c

Wyckoff_letters: c c c c


species: O Ti

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: c e f f f


species: F V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: C Mn

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Nb Zn


species: Ir Zn


species: Mo O

Wyckoff_letters: c c


species: Ir O

species_pp: Ir O

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: h h

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: a d g

Wyckoff_letters: h h


species: Co O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i


species: Li Mn

crystal_class: hexoctahedral


sg:
Cccm #66
Cccm #66
Cccm #66

sg2:
Cccm #66
Cccm #66
Cccm #66

Wyckoff_letters_orig: k l m m

Wyckoff_letters_orig: a c l

Wyckoff_letters: k l m m

Wyckoff_letters: a c l


species: Ge Ti

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70


species: Cr Mn


species: I Y


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c

crystal_class: monoclinic-sphenoidal


species: Ni O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Mn V


species: Li Ni


species: Ca Zn

crystal_class_orig: tetrahedral


species: Ni Ti


species: Li V

sg:
Pnma #62
Pnma #62
Cm #8

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F V

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: O Sr

crystal_class_orig: trigonal-pyramidal


species: O W

Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

Wyckoff_letters: a c h p

Wyckoff_letters: b g


species: O V


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe O

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


species: O Ru

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ba Br

Wyckoff_letters_orig: a b


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb Ta

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


crystal_class_orig: ditetragonal-dipyramidal


species: O Ta

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Bi Lu


species: K Pb

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: Cu Ti

crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Co W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Ti

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Cr V

crystal_class_orig: ditrigonal-scalahedral


species: Fe Mn


species: Fe Mo


species: Mn Ti


species: Mn V

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Mn W

crystal_class: ditetragonal-dipyramidal


species: Mo V


species: Mo Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr W

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Cu Fe

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cu Mn


species: Fe Ni


species: Mn Mo

Wyckoff_letters_orig: c c


crystal_class: ditrigonal-scalahedral


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ni V


species: V Zn


species: O Pb

Wyckoff_letters_orig: g g


species: Hg Ho


species: Hg K

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg Li

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hg S

species_pp: Hg S


crystal_class_orig: tetragonal-dipyramidal


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ca Cs


species: K Rb


species: Li Nb


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb Rb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Nb Ta

Wyckoff_letters: c e d


species: Cr Ho


species: Pr Sm


species: Er Gd


species: Cl Nb


species: Ca Cl

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: c d d d

Wyckoff_letters: a b d

Wyckoff_letters: c d d d


species: Cl Pb

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: Dy Ni


species: Cu Er


species: Cu Tb


species: Gd Pr

species_pp: Gd Pr


species: Ho Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ho Zn


species: Nd Pm

species_pp: Nd Pm


species: Ag I

species_pp: Ag I

crystal_class_orig: dihexagonal-pyramidal


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Ag Tc


species: Au Y


species: Cu Sc


species: Fe Nb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ir Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pd Zn


species: O W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Rh


species: La Zn

species_pp: La Zn


species: Ir Pd


species: Nb V


species: Cd Co

species_pp: Cd Co


species: Hf Nb

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cd W

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Eu Ti


species: Hg V


species: Rh V


species: Ca I


species: Fe I

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I K


species: I Li

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Ni

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m m m


species: I Rb


species: Hg I


species: I Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: i i

Wyckoff_letters: a c


species: Au Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Nb Ta


species: Rh W


species: I Sr

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Fe Hf

Wyckoff_letters: c d e


species: Os Pt

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Pt Ta


species: Cu Ir


species: Mn Pt

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Se Si

species_pp: Se Si

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: La Nb


species: Ni Os


species: Au Ru

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Os


species: Mo S

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a b e

Wyckoff_letters: a b d

Wyckoff_letters: a b e


species: Ru Tc


species: Ta Y

Wyckoff_letters_orig: a c


species: Hf Mo

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn Tc


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Hf Ta

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ta Ti

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: W Zr


species: Cd Sc


species: Hf W


species: Nb Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Zr

crystal_class: tetragonal-dipyramidal


species: Cr Yb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Os Y

Wyckoff_letters: a c


species: Hf Pt


species: F Sm


species: Fe I

Wyckoff_letters_orig: b d h

Wyckoff_letters: b d h


species: As Sc


species: Ag Rh

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ni Os


species: Cs Xe

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


species: Hg Zn

species_pp: Hg Zn


species: Co Ta

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Sc

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Zn Zr


species: O Zr

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ca Cu


species: B Rh


species: Eu F

species_pp: Eu F


species: Ca Ni

Wyckoff_letters_orig: a c c d h

Wyckoff_letters: a c c d h


species: Nb O

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: I Ti

Wyckoff_letters_orig: e e


species: O Ti

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a


species: Ge O

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: Mn O


species: O W

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Mo Nb

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b e


species: Li Mg


species: Nb Tc


species: Cr Y


species: O Sr

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c f l

Wyckoff_letters: a c f l


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters_orig: a e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e e e e

Wyckoff_letters: a e e e


species: Ni Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: S Sn

species_pp: S Sn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Co F

species_pp: Co F

crystal_class_orig: tetragonal-trapezoidal


species: Cu La

Wyckoff_letters_orig: b c


species: Li Zn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Ni O

crystal_class_orig: hexagonal-trapezoidal


species: O Ta

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: a a a a c b d d

crystal_class: trigonal-pyramidal

Wyckoff_letters: d d d d d d

Wyckoff_letters: a a a a c b d d


species: F Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: a a


species: Co Mo


species: I Nb


species: I Ti


species: Br Ca

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cd La

species_pp: Cd La


species: O Zr


species: Cu K

crystal_class: hexoctahedral


species: K O

crystal_class_orig: diploidal


species: F K


species: O W

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


species: Mg O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: c f

Wyckoff_letters: e f f


species: Ag Pt

species_pp: Ag Pt

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ni Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


crystal_class_orig: hexoctahedral


species: O Pr

species_pp: O Pr


species: Ca Tc

Wyckoff_letters: b c


species: O Re

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Hg La

species_pp: Hg La

crystal_class_orig: ditrigonal-scalahedral


species: Nb O


species: Li Ni

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Os


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j


species: F Ti


species: Li Mn


species: Ca Mn


species: La Re


species: Ca Cu

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: F Li

Wyckoff_letters_orig: b b c a a a

Wyckoff_letters: b b c a a a


species: Li O


species: Hg Tb


species: K Mg


species: Rh W

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters: a f


species: Cr Li

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ir La

species_pp: Ir La

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: I Ti


species: Co K


species: N Rb

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd V


species: O Re

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cu K


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: O Pd

crystal_class: hexagonal-trapezoidal


species: I Mn

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


species: F Mn

sg:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pb Pt


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I V

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i


species: Hg W

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Eu O

species_pp: Eu O


species: S Sn


species: Co Zn

Wyckoff_letters_orig: a i i j j

Wyckoff_letters: a i i j j


species: F Mg

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f


species: Ru V


species: O Si

species_pp: O Si

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Ni Ti


species: Li Mn


species: Co Ru

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cd O

species_pp: Cd O

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: O Pb

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: F V

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Li Ni


species: O Pt

species_pp: O Pt

crystal_class: diploidal


species: I Tc

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: O W

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: h i

Wyckoff_letters: a c e


species: O Te

species_pp: O Te


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: Cu Ru

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ca Ti

Wyckoff_letters_orig: c d e


species: Hg O

species_pp: Hg O


species: Co Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Au W

crystal_class: dihexagonal-dipyramidal


species: Mn O


species: Ar Mg


species: Si Sm


species: O Ta

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: Ca Si

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: a b c i

Wyckoff_letters_orig: d f h i

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: a b c i

Wyckoff_letters: d f h i


species: C Er

crystal_class: ditetragonal-dipyramidal


species: O Zr


species: Li O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: c c

Wyckoff_letters: b c

Wyckoff_letters: c c


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Al Ir

species_pp: Al Ir

Wyckoff_letters_orig: a e e e e

Wyckoff_letters: a e e e e


species: Ca Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: O Sn

species_pp: O Sn


species: I V


species: Cr O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Bi Ti


species: Ni O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: N Ni

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu Ta


species: Cd Pt

species_pp: Cd Pt


species: Au Mo


species: Li Mn


species: Br P

species_pp: Br P


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: O V

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 a a a a a a

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

crystal_class: monoclinic-domatic

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

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


species: La Re


Wyckoff_letters_orig: a a a b b

Wyckoff_letters: a a a b b


species: F Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Fe I

crystal_class: ditrigonal-scalahedral


species: I Zn

species_pp: I Zn


species: F Ni

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Ag Zn

species_pp: Ag Zn


species: Al Mo

crystal_class_orig: diploidal


species: Fe Sc

crystal_class: orthorhombic-bipyramidal


species: Ca F


species: Os V

crystal_class_orig: dihexagonal-dipyramidal


species: As B

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cd W

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ga Ir

Wyckoff_letters_orig: c c f f

Wyckoff_letters_orig: c f

Wyckoff_letters: c c f f

Wyckoff_letters: c f


species: Mg Si

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr F

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: K O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


crystal_class_orig: ditrigonal-scalahedral


species: Ca Pb

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Ta


species: Li Pb

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mg Nb


species: Fe Mo


species: Ti V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Fe


species: Co V


species: Cr V

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cu Ti


species: Fe Mn


species: Fe Ni


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Fe Zn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni Zn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


crystal_class: hexoctahedral


species: Co Mn

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Co Mo

sg2:
Pnma #62
Cmcm #63
Cmcm #63

Wyckoff_letters: c g


species: Co Ti

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Cr Mo


species: Cr Ti

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


Wyckoff_letters: c d e


species: Cu Mn


species: Cu Zn


species: Fe Ti


species: Fe V


species: Mn Mo


species: Mn W

Wyckoff_letters: a d


species: Mo Zn


species: Mo V

sg2:
Pnnm #58
Immm #71
Immm #71


species: F Ta

crystal_class_orig: ditrigonal-dipyramidal


species: Ca Cl


species: Hg S

species_pp: Hg S


species: Hg Te

species_pp: Hg Te


species: Hg Ho


species: Hg In


species: Hg Li


sg:
Pnnm #58
Pnnm #58
Immm #71


species: Cs Mg


species: Cs Rb


species: Li Rb


species: Nb Rb


crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Cl Ta

Wyckoff_letters_orig: c c d d d d

Wyckoff_letters: c c d d d d


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: b c d

Wyckoff_letters: b c d


species: O Pr

species_pp: O Pr


species: O Sm

crystal_class_orig: ditetragonal-pyramidal


species: Er Fe


species: Eu Ni

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Nd Ti


species: Ce Pr

species_pp: Ce Pr


species: Co Ho


species: Co Tb

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Nd Pr

species_pp: Nd Pr


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Hg Os

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Ru


species: Rh Zn


species: Fe Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Nb


species: Re Rh


species: Co Hg

species_pp: Co Hg


species: Mn O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j k l l

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j k l l


species: Hf Hg

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ag Os


species: Pt Ru


species: Sc Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Hf Sc

Wyckoff_letters_orig: a c


species: Ru Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Pd


species: Hf Pt


species: Pt Rh


species: Hf Rh


species: Ca I


Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

Wyckoff_letters: a b

Wyckoff_letters: b b b


Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i i i


species: Co I

species_pp: Co I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe I

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: I K

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e f


species: I Li


species: I Mg

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c

Wyckoff_letters: d e f


species: Cd I

species_pp: Cd I


species: I In

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sn

crystal_class_orig: monoclinic-prismatic

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: Hg I


species: I Pb

crystal_class_orig: orthorhombic-pyramidal


species: Fe Re


species: Cu I

crystal_class_orig: diploidal

crystal_class: diploidal


species: I Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f

Wyckoff_letters: a c


species: Al I

Wyckoff_letters_orig: f f f

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

Wyckoff_letters: f f f

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


species: Ga I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Au Mn

Wyckoff_letters_orig: a c


species: Cu Y

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: K O


species: Sc W

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Y Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h


species: Cr Pm

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pd Rh


species: La Ni


species: Hf Ru


species: O Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Os W


species: Ir Mn

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Mn Pd

crystal_class_orig: hexoctahedral


species: Ta V


species: Au Co

species_pp: Au Co


species: Re Rh


species: Ag Ta


species: Rh Tc


species: Hf Nb


species: Hf Ti

crystal_class_orig: tetrahedral


species: Nb Ti


species: Nb Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ta W


species: Hf Zr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mo Nb

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Mo Zr


species: Nb Ta


sg2:
Immm #71
Immm #71
Immm #71


species: Nb V

crystal_class: ditrigonal-scalahedral


species: Ir Re


species: Rh Ti


species: Tc Zr


species: O Tl

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: c d e f k k

Wyckoff_letters: f f f k


species: Au Cd

species_pp: Au Cd


species: Er Pr


species: Pd Ru


species: Ag Ru


species: Dy Zn


species: Pd Rh

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Ru W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mg O

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Cr K

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ca Li


species: O Re

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ca Co

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


species: O Tc


Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: Ir N

species_pp: Ir N


species: Ca K

sg2:
Pnnm #58
Pnnm #58
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a c c


species: O Yb

species_pp: O Yb

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a c


species: Fe Li

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ca Cr

Wyckoff_letters_orig: a c


species: Re Ru


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Se Zn

species_pp: Se Zn

crystal_class_orig: monoclinic-domatic


species: C Pt

species_pp: C Pt


species: Ag Ru


species: Fe Sc


species: Mg Se


species: Cd Sc

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Zn Zr


species: Lu O

species_pp: Lu O


species: Co Hg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co F

species_pp: Co F

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ni Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Zn

Wyckoff_letters_orig: c f

crystal_class: hexoctahedral

Wyckoff_letters: c f


species: Co Pd


species: Ni Ru

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: F Mn

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

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

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

Wyckoff_letters: e e e e


species: F Sr


species: Cd O


species: O W

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Ir

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mg O


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Rh Ta


species: Co Li


species: O Zn

species_pp: O Zn


species: O Sn

species_pp: O Sn


species: Li Mn


species: Cs Pb


species: Au Ru


species: Fe O


species: Ca Fe

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Sc


species: Mn 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: Nb Sc

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Mo O

Wyckoff_letters_orig: c e h

Wyckoff_letters_orig: h h h

Wyckoff_letters: c e h

Wyckoff_letters: h h h