crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a c


species: Er Ir

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: c d

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: c d


species: Cu Sn

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: a e f f

Wyckoff_letters_orig: e f f

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: a e f f

Wyckoff_letters: e f f


species: Li Ti

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

point_group_type: polar

point_group_structure: dihedral

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: W Y

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

crystal_family: hexagonal

crystal_system: trigonal

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Cu W

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: S Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Zn

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: a d

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: a d

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Cr Sb

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Cd O

species_pp: Cd O

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

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


species: Pb Se

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


species: Cu Zn

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Au Ta

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ca Fe

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: O W


species: Co O

species_pp: Co O

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Li O

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4

aflow_prototype_params_list_relax: a c/a z4


species: Cd Ni

crystal_class_orig: diploidal

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


species: Nb W

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: a l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a c/a z3


species: Al N

species_pp: Al N


species: Fe O

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64


species: C Ir

species_pp: C Ir

sg:
Pbam #55
Cmmm #65
Cmmm #65

sg2:
Pbam #55
Pbam #55
Cmmm #65

Wyckoff_letters_orig: d g g

Wyckoff_letters: a f

Wyckoff_letters: c p

Wyckoff_site_symmetries: mmm ..m


species: Ca Tc


species: Cu K

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Pr Te

species_pp: Pr Te

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Ama2 #40
Cmcm #63
Cmcm #63


species: O Sr

Wyckoff_letters_orig: a b f f

Wyckoff_letters: a b f f


species: Cr O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Co K

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O Ti

crystal_class_orig: orthorhombic-sphenoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: a b c


crystal_class_orig: ditetragonal-pyramidal

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

crystal_class: ditetragonal-pyramidal

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: F Ti

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a c

crystal_class: hexagonal-trapezoidal

point_group_type: enantiomorphic


species: C Hf


species: Bi Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ni O

crystal_class_orig: dihexagonal-pyramidal


species: F Mg


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mg Nb


species: O Ta

crystal_class_orig: trigonal-trapezoidal

aflow_prototype_params_list_orig: a c/a y2


species: Cu Mo


species: Co Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Ti

Wyckoff_letters: a c


species: Co W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Cr Cu

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Cr Fe


species: Cu Ti


species: Mn W

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: b f

Wyckoff_letters: c e

aflow_prototype_params_list_orig: a b/a c/a


species: Mo Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo W


species: Ni Ti

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


species: Co Zn

species_pp: Co Zn


species: Cr Mn

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: Cr Mo

crystal_class: diploidal


species: Mn Ni


species: Mn V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Zn

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC


species: V W


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hg Yb

species_pp: Hg Yb

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

Wyckoff_letters_orig: a l


Wyckoff_letters_orig: b h

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a c/a z3


species: Hg Rb

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Nb


species: Ca Ta


species: Cs Mg

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cs Rb


species: K Ta

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: c d e

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: c e d


species: O Pb

Wyckoff_letters_orig: a a


species: O Sm

Wyckoff_letters_orig: a c

crystal_class: trigonal-trapezoidal


species: Ce Nd

species_pp: Ce Nd


species: Fe W


Wyckoff_letters_orig: g h j k n

Wyckoff_letters_orig: g i

Wyckoff_letters: g h j k n

Wyckoff_letters: g i


species: Cu Ho

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Er Pm


species: Ce Fe

Egap_DOS_type: metal


species: Ce Tb


species: Co Er


species: Co Ho


species: Cu Pr


species: Er Ni


species: Ho Ni


species: Ho V


species: Nd Tb


species: Al I

species_pp: Al I

Egap_DOS_type: insulator

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Cr I

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c a c a

Wyckoff_letters_orig: c c c c c c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c a c a

Wyckoff_letters: c c c c c c c c c


species: Ag I

species_pp: Ag I

crystal_class: dihexagonal-pyramidal


species: I In

crystal_class_orig: orthorhombic-bipyramidal


species: Au Hg

species_pp: Au Hg

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Au Mo


species: Cd W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Pd

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Hf Mn

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Ir Os

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Ir V


species: Ni Os


species: Ni Rh


species: Pd V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Re


species: Cd Cr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cd Cu

crystal_class: orthorhombic-bipyramidal


species: Cr Ir


species: Nb Zn


species: Pt Ta

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Pt W

Wyckoff_letters_orig: c d e

point_group_Schoenflies: T

point_group_structure: alternating

Wyckoff_letters: c d e


species: Ti Zr


species: Rh Zn


species: Hf Ta

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Pd Pt


species: Hf V


species: La Zr


species: Co Os


species: Pd Tc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ag Rh


species: Pt Re


species: Rh Tc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Au Hf


species: Ba N

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e e e e

Wyckoff_site_symmetries_orig: m m m m m m

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e e e e

Wyckoff_site_symmetries: m m m m m m


species: Cr I

crystal_class_orig: hexoctahedral


Egap_DOS_type: half-metal


species: Fe I

Wyckoff_letters_orig: a c


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

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


species: I Li

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


species: Ag I

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: c c g g

Wyckoff_letters: c c g g


species: Ba I

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Pb

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: b c

reciprocal_lattice_type: TRI

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: Ag Mn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd Mn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters: a c


species: Hf V


species: I Zn

species_pp: I Zn

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: Al I


species: I Sr

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Hf Mo


species: Hg Rh

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Zr

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: La Y


species: Nb Ta

crystal_class: hexoctahedral


species: Ag Ni


species: Fe Nb


species: La Ni

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Os Ta

crystal_class: dihexagonal-dipyramidal


species: Ru Ti


crystal_class: ditetragonal-dipyramidal


species: Mn Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O W

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Mo Re


species: Hf Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hf W

crystal_class: ditrigonal-dipyramidal


species: Nb Ti


species: Nb Zr


species: Ta W


species: Hf Ti

Wyckoff_letters_orig: c i

Wyckoff_letters: d i

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

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


species: Hf V


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ta Ti


species: Ta Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Nb

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Tc Y


species: Cd Hg

species_pp: Cd Hg

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF


species: Cd Mo

Wyckoff_letters_orig: a c


species: Cr Pm


species: Cu Pt


species: Ir Re


species: Cu Re


species: Hf La


species: Cr Ru


species: Hg Mn


species: Sb Ta

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m


species: O Rh


Wyckoff_letters_orig: c f

Wyckoff_letters: b f


species: Cr O


species: Co O

Wyckoff_letters_orig: e e


species: Mo Pd


species: Cu Ti


species: K O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Br Ca

Wyckoff_letters_orig: a b


species: Co Fe


species: Al As

species_pp: Al As


species: C Fe

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m m m


species: I K


species: Nb O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Li O

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

aflow_prototype_params_list_relax: a b/a c/a z2


species: Ca Cr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Co

species_pp: Cd Co


species: Os Pd

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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


species: F Sc


species: Cd Cr


species: Bi O

Wyckoff_letters: e e


species: Cu Li


species: Nb Zr


species: Ca O

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m m


species: Cu O


species: Li Mn

Wyckoff_letters_orig: a d


species: Fe O

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Wyckoff_letters: d h

Wyckoff_letters: g h


species: Ti V


species: Ca Tc

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: I Ni


species: O Yb

species_pp: O Yb


species: Mn Ni


Wyckoff_letters: c f


species: Cl Li

Wyckoff_letters_orig: b a


species: Co Te

species_pp: Co Te

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Mn O

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Gd Sn

species_pp: Gd Sn


species: F Rh

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

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


species: Ca V


species: Ca Mg


species: Co K


species: O Zn

species_pp: O Zn

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a b c

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: a b c

Wyckoff_site_symmetries: m m 1


species: Pb S

Wyckoff_letters_orig: e e


species: S Sn

species_pp: S Sn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

aflow_prototype_params_list_relax: a b/a c/a


species: Hg Pt

species_pp: Hg Pt


species: Fe Ru


species: O Pd

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Co Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co O

species_pp: Co O

Wyckoff_letters: a d


species: Cr O


species: Sn Te

species_pp: Sn Te


species: Co Mg


species: Li V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: c a


species: Bi O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a l

Wyckoff_letters: g h n


species: As Cr

sg:
Pnma #62
Pmmn #59
Pmmn #59

sg2:
Pnma #62
Pnma #62
Pmmn #59


species: Co Zn

species_pp: Co Zn


species: O W

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: d e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b d f

Wyckoff_letters: d e


species: Co F

species_pp: Co F


species: I Zn


species: I Tc

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: I K


species: Ca K

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ge S

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i


species: Ir Tc


species: Li Zn


species: Ca Cr

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Ru Ti


species: Fe Zr


species: Al Au

species_pp: Al Au

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: g g g g g

Wyckoff_letters: a g g

Wyckoff_letters: g g g g g


species: F Ni

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m


species: K O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Fe O

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Co Mn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Mg O

Wyckoff_letters_orig: d i


species: Ag F

species_pp: Ag F


species: La O

species_pp: La O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

Wyckoff_letters: c c


species: O Os


species: Cr O

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e f


species: O Ti

sg:
Imm2 #44
Immm #71
Immm #71

sg2:
Imm2 #44
Immm #71
Immm #71


species: O W

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a g

Wyckoff_letters: a h


species: O Zr

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Li N

Wyckoff_letters_orig: e e e e


Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: I Nb

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: Ca Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ta Tc


species: F Fe

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: Se Si

species_pp: Se Si

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Zn Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: F Ti

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h

Wyckoff_letters: i a g j

Wyckoff_letters: c h


species: Mn O

Wyckoff_letters_orig: b c m n

Wyckoff_letters_orig: m m m n n n

Wyckoff_letters: b c m n

Wyckoff_letters: m m m n n n


species: Fe I


species: Hg Ti


species: Ti Zr


species: N Pr

species_pp: N Pr


species: Cl Zn

species_pp: Cl Zn

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: Fe K

Wyckoff_letters_orig: b c


species: Br Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sr

Wyckoff_letters_orig: g g

Wyckoff_letters: m n

Wyckoff_letters: a n


species: K Li

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


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: Co Er

Wyckoff_letters_orig: a c c d h

Wyckoff_letters_orig: c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a c c d h

Wyckoff_letters: c c


crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c c


species: O Pb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Sn Te


species: Ir V


species: Hf Pt


species: Se Tb

crystal_class: orthorhombic-bipyramidal


species: O V


species: Ca O

Wyckoff_letters_orig: a l o

Wyckoff_letters_orig: d k n

Wyckoff_letters: a l o

Wyckoff_letters: d k n


species: O Re


species: O Ti


species: Fe O

crystal_class_orig: orthorhombic-sphenoidal


species: La Se

species_pp: La Se

crystal_class_orig: tetrahedral


species: Li Mg

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Pb Se

sg2:
Pmmn #59
Pmmn #59
I4/mmm #139

crystal_class_orig: orthorhombic-bipyramidal


species: Ni P

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g g


species: O Rh


species: Pd Rh

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Mn O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Mg Nb


species: Mg Pb


species: Pb Rb


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mo V

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Ni V

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Co Cu

crystal_class: ditetragonal-dipyramidal


species: Co Fe

crystal_class_orig: ditrigonal-scalahedral


species: Co Ni


species: Co W


species: Co Zn


species: Cr Fe

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Cr Mo

crystal_class_orig: dihexagonal-dipyramidal


species: Cr V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mo Ni


species: Ni Zn


species: Cu Ni

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Ti

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Fe Ni


species: Mn Ni


species: Mn V


species: Mo V

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Nb


species: Hg In

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg Se

species_pp: Hg Se


species: Hg Zn

species_pp: Hg Zn


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


crystal_class_orig: ditetragonal-dipyramidal


species: F Ta

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Rb Ta


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Sm Tb


species: Nd Ti


species: Dy Sm


species: Fe Tb

Wyckoff_letters: c d e


species: Dy Ni


species: Ni Tb


sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cr Ni


species: Ho V


species: Ce Cu


species: Ce V

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Cr Er


species: Dy Nd


species: Er Zn


species: Ni Sm

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: I Ni

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


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: Ag Cd

species_pp: Ag Cd


species: Co Zr


species: Hf Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Pd

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ag Mn


species: Mo Zr


species: Re Ta


species: Co Pd

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Nb Rh

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

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Tc W


species: Au W


species: Cd Os

Wyckoff_letters: b d


species: Ta W

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Fe Si


species: Hf Sc


species: La Rh


species: Mo Pt


species: Ta Tc

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Al O

species_pp: Al O


species: Mn Pd


species: Ag Co

species_pp: Ag Co


species: Br Gd

species_pp: Br Gd

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ir Re

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ru Sc


species: Nb Re

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Pd Sc


species: Fe I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: e e

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


species: I Li

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c e

Wyckoff_letters: b c d


crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: I Ni

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Ag I

species_pp: Ag I


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: a a

Wyckoff_letters: a b


species: I Sn


species: I Sb

species_pp: I Sb

Wyckoff_letters: e e e


species: I Pb


species: Hf Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu I

Wyckoff_letters: a c


species: I Zn

species_pp: I Zn


species: Al I

species_pp: Al I


species: Cr Ru


species: Cu Zr

crystal_class_orig: diploidal

crystal_class: diploidal


species: Hg Tc


species: Ir Y


species: Co Nd

species_pp: Co Nd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Zr

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Hg Nb

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Cu Rh


species: Ag Y


species: Cd Co

species_pp: Cd Co


species: Eu I

species_pp: Eu I


species: Ir Re


species: Nb Rh


species: Nb Y


species: Ru Ta


species: Fe Ru


species: N W


species: Ni Y

crystal_class: tetrahedral


species: Hf Zr


species: Ta V


species: Nb V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Nb Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: W Zr


Wyckoff_letters_orig: c c c


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nb W


species: Ta Zr


species: Ti Zr


species: Fe Pd


species: Hg Zr


species: Mn Sc


species: Pd Re


species: I Zr

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Lu O

species_pp: Lu O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cd Ir

species_pp: Cd Ir


species: Ag La

species_pp: Ag La


species: V Y

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Au V


species: Co K


species: Ag Ir

species_pp: Ag Ir


species: Sc Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pt Ti

Wyckoff_letters_orig: a c

crystal_class: ditrigonal-scalahedral


species: O Sr

crystal_class_orig: monoclinic-domatic


species: Mn O


species: O Ti

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Bi Se

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: F Nb


species: Pd Tc


species: Cu F

sg:
Pnma #62
Pnma #62
Cmce #64


species: F Fe

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: Ca I


species: Fe Ni


species: H Si

species_pp: H Si

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e f i


species: F Mg

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Ca Mg


species: Cr O


species: K O

Wyckoff_letters_orig: a b l

Wyckoff_letters: a b h


species: Li Mn

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Br Os

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Pt Yb

species_pp: Pt Yb


species: O Sr

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Hf V

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Os Ti

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Si Ta

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Nb Te


species: I Mo

Wyckoff_letters_orig: a b e e

Wyckoff_letters: b a e e


species: Co Ni


species: I Nb

Wyckoff_letters: a c


Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a a b c e


species: Te Zn

species_pp: Te Zn

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: H Ti

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Ca Ni


species: Mn O


species: Ag Ti

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Pb S

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd O

species_pp: Cd O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e


species: Fe Mg

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Sc Ti


species: La Sb

species_pp: La Sb

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: N W


species: O Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K O

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: Ca Li


species: B Cl


species: Au Mo


species: K Mg


species: F Mg

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal


species: Au Ta

crystal_class_orig: tetragonal-dipyramidal


species: O Ti

Wyckoff_letters_orig: a e

crystal_class: monoclinic-prismatic

Wyckoff_letters: a e


species: I Ti

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: O Zn

species_pp: O Zn


species: Mg O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ca Fe


species: Pd Re


species: Dy O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Sn Te

species_pp: Sn Te


species: Fe Li


species: O Sc

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: i i


species: Co Mo


species: N Re


species: C Y


sg:
Pbca #61
Cmce #64
Cmce #64

sg2:
Pbca #61
Pbca #61
Cmce #64


species: Ca Mn


species: V Y


species: F V

Wyckoff_letters: a a a a


species: Cu O


species: Au Ni

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: K O


species: Bi Ir


species: Li Mn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ti

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I V

Wyckoff_letters_orig: f f

Wyckoff_letters: f f

Wyckoff_letters: c e


species: O Yb

species_pp: O Yb


species: Cu Zr


species: Ge Te


species: I Tc

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: F Mg

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Pd W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co K

Wyckoff_letters: a c


species: I Ta


species: O Zr


species: V Y

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: As V

Wyckoff_letters: i i


species: Ca O


species: K S


species: Cr Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F V


species: Ag Sr

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Ga Ta

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c l

Wyckoff_letters: a h

Wyckoff_letters: c l


species: I K


species: Cd V

crystal_class: tetragonal-dipyramidal


species: Ag Ir


species: Fe Sc


species: Ni O

crystal_class_orig: trigonal-trapezoidal


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: e e


species: N Sc


species: Mn Ta

crystal_class_orig: orthorhombic-bipyramidal


species: O W

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


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a a a


species: Cd O

crystal_class_orig: monoclinic-domatic


species: B Ta


species: Mn O

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: g g

Wyckoff_letters: a g

Wyckoff_letters: g g


species: Os Te

crystal_class_orig: diploidal

crystal_class: diploidal


species: Cr Li

crystal_class: tetrahedral


species: Ag Ta

Wyckoff_letters_orig: a c


species: Tc Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li 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

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i

Wyckoff_site_symmetries: 2/m m m m m


species: I Mn

crystal_class: ditrigonal-scalahedral


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: As Fe

crystal_class: orthorhombic-bipyramidal


species: Ti V

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: As Cr

Wyckoff_letters_orig: i i


species: Fe Mg


species: F V

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m

Wyckoff_letters: a i i i c


species: F Ti

Wyckoff_letters_orig: a a a

Wyckoff_letters: c c c


species: Nb O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Pr

species_pp: O Pr


species: S Zn

species_pp: S Zn

crystal_class_orig: ditrigonal-pyramidal

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

crystal_class: ditrigonal-pyramidal

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


species: Ca Cr

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Se Tb

crystal_class_orig: dihexagonal-pyramidal


species: F Ni

Wyckoff_letters: c c


species: Li Zn


species: O Tb

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: .m .m

Wyckoff_letters: b b

Wyckoff_letters: a b

Wyckoff_site_symmetries: .m .m


species: Ca O


species: Cr V

crystal_class_orig: hexoctahedral


species: Ca Mg


species: Co Ni

crystal_class_orig: ditetragonal-dipyramidal


species: Li O

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i i i


species: Si V

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: e f g m

Wyckoff_letters_orig: e h k m

Wyckoff_letters: e f g m

Wyckoff_letters: e h k m


species: O Zr

Wyckoff_letters_orig: g g

Wyckoff_letters: i h


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters: a d


species: O Y

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e


species: Cr O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m


species: Ag Ti


species: Br Ta

Wyckoff_letters_orig: d e


species: I Mg


species: K Pb

crystal_class: hexoctahedral


species: Cu Fe


species: Cu V

crystal_class: ditrigonal-dipyramidal


species: Fe Ni


species: V Zn

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: W Zn

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_relax: a b/a c/a x3


species: Co Mo

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr W


species: Cu Mn

crystal_class: ditetragonal-dipyramidal


species: Cu Mo


species: Cu W


species: Cu Zn

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Fe Mo


species: Mn V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Cr


species: Co V


species: Co W


species: Cr Cu


species: Cr Mn


species: Cr Mo

crystal_class: dihexagonal-pyramidal


crystal_class_orig: tetrahedral


species: Cu Fe


species: Cu Ni


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe Ti

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mn Mo

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ni Ti


species: Ni V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: V W


species: V Zn


species: Cl Cs


species: F Ta

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg K

Wyckoff_letters_orig: a b


species: Hg Li

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hg Mg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cl Mg

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c

Wyckoff_letters: c c


sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Wyckoff_letters_orig: a g i n

Wyckoff_letters: a g i n


species: K Nb

Wyckoff_letters: a d


species: K Rb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Li Rb

Wyckoff_letters_orig: a d


species: Rb Ta


Wyckoff_letters_orig: c c c c d d d

Wyckoff_letters: c c c c d d d


species: Hg Yb

species_pp: Hg Yb


species: F Nb

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: O Pr

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a b


species: Co Pm

species_pp: Co Pm


species: Cu Pr

crystal_class_orig: ditrigonal-dipyramidal


species: Er Zn


species: Pm Zn

species_pp: Pm Zn


species: Co Ho


species: Ca F


species: Cl Nb

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Fe Yb


species: Ce Co

species_pp: Ce Co

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Er


species: Er Sm


species: Eu Mn


species: Fe Sm

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ho Ni


species: Ho V


species: Mn Yb


species: Nd Ti


species: Tb V


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Ni

crystal_class: monoclinic-prismatic


species: I Pb


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd Ti


species: Hg Ta


Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Pt Rh


species: Tc V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cd Mo

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg Ti


species: Ir Rh


species: La Pd


species: Ta V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd Mn


species: Co Nd

species_pp: Co Nd


species: Cu Y

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hf Pt


species: Hf Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ru Ta


species: Ag Pt

species_pp: Ag Pt


species: F Mn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd O

species_pp: Cd O

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: c a b

Wyckoff_letters: a c b


species: Ag Fe


species: Bi Cs


species: Cr Pt

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cs Pb


species: Cu Hf

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cu Zr


species: Hf Mo


species: La Sc


species: Cd Cu

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo Pt

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Pd


species: Nb Sc


species: Ag La

species_pp: Ag La


species: Os W


species: Co Zr


species: Ta V


species: Cr I

Wyckoff_letters_orig: a b


species: I K

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: I Li

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: I Mg


crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Ni

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Be I


species: I Zr

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: Ag I

species_pp: Ag I


species: I Sn

species_pp: I Sn


species: Ba I


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n


species: Hg I

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: I Pb

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a c

Wyckoff_letters: c c c

Wyckoff_letters: a c


species: La Pt

species_pp: La Pt


species: Cu I

crystal_class_orig: orthorhombic-bipyramidal


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: I Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Y

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Pt Sc


species: Cd Co

species_pp: Cd Co


species: Hg Ru


species: Pt Rh


species: Mo Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Hf


species: Hf Ti


species: Pd S

sg:
Pnma #62
Cm #8
Cmcm #63


species: Cd Fe


species: Hg Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg Sc


species: Nb Pd

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ni Re


species: Cd Cr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Sc


species: Cr Hf


species: Cd Rh


species: Cd Ir

species_pp: Cd Ir


species: Hg Rh

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Nb Zr


species: Ti Zr


species: Cd Hf


sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Nb Ta


species: Nb V


species: Ag Se

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Mn Y


species: Cu Zr

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe Ir


species: Pd Ru


species: Au Os


species: Cd Ru


species: Au Fe


species: Hg Ru

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hg Ti


species: Sn Ti


species: Ir O

species_pp: Ir O


species: I Ta

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Fe O

crystal_class_orig: rhombohedral


species: Cu O

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Pb S


species: Pb Te

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: N Pm

species_pp: N Pm


species: I Ni


species: Bi O


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: O Rb


species: Ca Zn


species: Fe Zn


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Re Rh


species: Ca Li

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mo O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Ti

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: P Ta

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: F Mg

crystal_class_orig: diploidal


species: K Li


species: Tc Zr


species: K S


species: Pb S


species: Os Ru

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Fe N


species: Sn Te

species_pp: Sn Te

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Pd

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Ni O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Si

species_pp: O Si


species: Li Tc


species: Cr Mg


species: Ca Zn


species: O W

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

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


species: Mo Ru

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ni V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Gd O


species: O Zr


species: Nb Ni

crystal_class: tetragonal-dipyramidal


species: Ca Cu


species: Pd Tc

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: O Sr


species: Li O


species: Hg Pd

sg2:
Pmma #51
Pmma #51
Pmma #51


species: F Sr


species: I Nb

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ca O

Wyckoff_letters_orig: a d g h


species: Ge O

Wyckoff_letters_orig: n m


species: Au V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ba Sn

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Os Pt

crystal_class_orig: hexoctahedral


species: I Mn

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: a f


species: Mn O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters: d e


species: C Mg

Wyckoff_letters_orig: b c g h j j j k k k l m n n n n n n o o

Wyckoff_letters: b c g h j j j k k k l m n n n n n n o o


species: Ca Mg

crystal_class_orig: ditetragonal-dipyramidal


species: Ta V

Wyckoff_letters_orig: a c


species: F Mn

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Au Sc


species: O Zn

species_pp: O Zn


species: O Sr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: c e


species: Ti Y

crystal_class_orig: dihexagonal-dipyramidal


species: Fe Re


species: I Nb

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: Bi O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: b c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: b c


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c

Wyckoff_letters: i i


species: Cr Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b f


species: O V


species: Ge Re

Wyckoff_letters_orig: e j j j

Wyckoff_letters_orig: a c h i i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e j j j

Wyckoff_letters: a c h i i


species: Pt Ta


species: Nb Rh


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Mg Rh

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c


species: Pb Se

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f


species: Mn O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


Wyckoff_letters: d e


species: Pt Sb

species_pp: Pt Sb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca O

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: c c

Wyckoff_letters: a b c c c c


species: Sn Sr

Wyckoff_letters_orig: c f g

Wyckoff_letters_orig: c e

Wyckoff_letters: c f g

Wyckoff_letters: c e


species: Cr Li

crystal_class_orig: ditrigonal-dipyramidal


species: Cr Mn


species: Cr O


species: Re Tc


species: Cu Mg

crystal_class_orig: tetrahedral

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Mn Ru

crystal_class: hexoctahedral


species: Ca Cr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Si

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: As Te

species_pp: As Te

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Ca F


species: Cu S


species: Cr F

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: Ca K


species: Tc Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Ti


species: O Ru

crystal_class: ditrigonal-dipyramidal


species: O Pr

species_pp: O Pr

crystal_class: ditetragonal-dipyramidal


species: Cd Cu


species: Fe S

crystal_class: diploidal


species: Br Tb


species: Bi O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ge Sm


species: Al Ru


species: Au Cd

species_pp: Au Cd


species: Mo W

Wyckoff_letters_orig: b j w w

Wyckoff_site_symmetries_orig: mmm 2mm .m. .m.

Wyckoff_letters: b j w w

Wyckoff_site_symmetries: mmm 2mm .m. .m.


species: Mg Se


species: Cr Ni


species: As S

species_pp: As S

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Co O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f

Wyckoff_letters: c f f


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Ge Nb

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g


species: Au Pb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Co W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Ag Mo


species: Nb V


species: Li Ti


species: F Mn


species: Cr O

crystal_class: dihexagonal-pyramidal


crystal_class_orig: monoclinic-domatic


species: O Os


species: Cu Te

crystal_class_orig: orthorhombic-bipyramidal


species: Ca Mn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Nb S


species: Pb Te


species: O Sr


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: K Mg

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Co Y


species: Hg Re


species: Rh Ru


species: Ca Ni

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


species: O Rh

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: K O


species: Co V


species: Se Sn

species_pp: Se Sn


species: Cr F


species: Fe Pt


species: Co Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Bi O


species: Ga Th


species: Co Li


species: Ag Hg

species_pp: Ag Hg

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Au Ir

species_pp: Au Ir


species: O V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F Fe


species: Co O

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Te Zn

species_pp: Te Zn

crystal_class: hexagonal-trapezoidal


species: Fe O


species: Pd Tc


species: Li Zn


species: I Mn


species: Ge N

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b c c

Wyckoff_letters: c c

Wyckoff_letters: a b c c


species: O W

aflow_prototype_params_list_orig: a b/a c/a y2


species: Li Pb

crystal_class: orthorhombic-pyramidal


species: Mg Nb


species: Co V

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Co W


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Cu

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe V


species: Fe Zn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mn V


species: Mn W


species: Mo Ni


species: Mo Ti


species: Ti W


species: V W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Ni


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Mn


species: Cr Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr W

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Mo

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

Wyckoff_letters_orig: c d


species: Cu Ni


species: Fe Mn


species: Mn Mo

crystal_class_orig: diploidal


species: Mn Ni

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters_orig: a d


species: Mo V


species: Ni V


species: Ti V


species: W Zn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Hg K

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i


species: Hg Rb


species: Hg In


Wyckoff_letters: b c


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cs Li


species: K Ta

Wyckoff_letters: a d


species: Li Ta


species: Mg Rb


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Li


species: Cl Ta


species: Ca Cl


species: Ce Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Dy Mn


species: Cr Dy


species: Cu Yb


species: Nd V


species: Ce Co

species_pp: Ce Co


species: Ce Cu


species: Co Tb


species: Cr Nd


species: Dy Gd


species: Gd Zn

species_pp: Gd Zn


species: Ba I


species: Ge I

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: e e e e e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e e e e e


species: I In

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Be I


species: Co I

species_pp: Co I


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


Wyckoff_letters: c d


species: I Rb


species: I Zn

species_pp: I Zn

sg:
Ibca #73
Ibca #73
Ibca #73

Wyckoff_letters_orig: f f f e e f f f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f e e f f f f

Wyckoff_letters: f f f f


species: Ag Hg


species: Ag Rh


species: Au Ti


species: Hg Nb


species: Hg Pt

species_pp: Hg Pt

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ti Zr


species: Cr Sm

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ag Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Hg


species: Hf Mo


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mo Os


species: Rh Y


species: I Tc

Wyckoff_letters_orig: b a


species: O V

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m m


species: Au Tc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Br Yb

species_pp: Br Yb


species: Cr Ta


species: Cu H


species: Fe La

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Mo Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ta V

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Al O

species_pp: Al O


species: Cr Hf

Wyckoff_letters_orig: c d


species: Cr Re

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Fe Ta


species: Fe Zr


species: Cr I

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a


Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: Fe I

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b

Wyckoff_letters: a b c


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e

crystal_class: ditrigonal-scalahedral


species: I K

Wyckoff_letters_orig: a c


species: I Li

Wyckoff_letters_orig: h k

Wyckoff_letters: b e


species: I Mg


crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: I Ni


species: Be I

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: d c


species: I Zr

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: i i


Wyckoff_letters_orig: g h j k n

Wyckoff_letters_orig: g i

Wyckoff_letters: g h j k n

Wyckoff_letters: g i


species: I In


species: I Sn

species_pp: I Sn

sg:
Pmna #53
Cmmm #65
P4/mmm #123

sg2:
Pmna #53
Pmna #53
Cmmm #65

Wyckoff_letters_orig: e h

Wyckoff_letters: j g


species: I Pb

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Rh

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf Hg

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ga I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sr

Wyckoff_letters_orig: c d d d d

Wyckoff_letters_orig: a c d

Wyckoff_letters: c d d d d

Wyckoff_letters: a c d


species: Ag Sc

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: La Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pt W


species: Ta Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ag Hg

crystal_class_orig: ditetragonal-dipyramidal


species: O W

Wyckoff_letters_orig: a b b b

Wyckoff_letters_orig: a b

Wyckoff_letters: a b b b

Wyckoff_letters: a b


species: Hf Pd

crystal_class_orig: monoclinic-prismatic


species: Ir Mn


species: La Rh


species: Sc Tc


species: Ce Cr


species: Cr Pt


species: Hg Os

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ir V

crystal_class_orig: dihexagonal-dipyramidal


species: Zn Zr


species: Fe La

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Hf Sc


species: Au Cr


species: La Zr


species: Hf Nb


species: Hf W


species: Mo Zr


species: Nb V


species: Nb Zr


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ta W


species: Pd Te

sg2:
Pbcm #57
Cmcm #63
I4/mmm #139


species: Ag Rh


species: Cu Nb


species: Ir Zr

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

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Nb Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Os Zn


species: Cr Pt

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hg Ni


species: Ir La

species_pp: Ir La

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: La Tc


species: Cs Hg


species: K Li


species: O Pb

Wyckoff_letters_orig: a a


species: Ag Sc


species: Mn Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Se Sn

species_pp: Se Sn


species: Co K


species: Ag Hf


species: Dy Ni

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Sn Te

species_pp: Sn Te


species: Hf Mn


species: H Ti

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: e f m m

Wyckoff_letters: e f m m


species: Cd O

species_pp: Cd O


crystal_class_orig: ditetragonal-pyramidal

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

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

crystal_class: ditetragonal-pyramidal


species: O Sn

species_pp: O Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a


species: Li Ti

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c


species: I Mg


species: Mg O


species: Li V


species: Co V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li Mo

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Li


species: K Li

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Fe K

crystal_class: tetrahedral


species: O Pt

species_pp: O Pt


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: d c


species: Mn O

crystal_class_orig: tetragonal-trapezoidal


species: F V

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: i j j j k k

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: i j j j k k


species: Hf Ti


species: Sc Zn

crystal_class: hexoctahedral

Wyckoff_letters: a c


species: Pd Tc


species: Rh Zr


species: Ca K


species: I Mn

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Hg Ti


species: Cu Mn

sg:
Pmma #51
Pmma #51
Pmma #51


species: Ni O

Wyckoff_letters_orig: i i i i

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

Wyckoff_letters: i i i i

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


species: Br N

species_pp: Br N

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Li Mg


species: Nb V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sn

crystal_class: ditetragonal-dipyramidal


species: Cu O

Wyckoff_letters_orig: e e


species: Mg O


species: Fe Sc


species: Cl Nb

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Nb Rh


species: Mn Sc

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal


species: O W


species: O Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg O

species_pp: Hg O

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: O Ti

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i


species: Co Re

crystal_class_orig: orthorhombic-bipyramidal


species: Cr Hf

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ge Rh

crystal_class_orig: tetrahedral


species: Fe O

Wyckoff_letters_orig: g g g g

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

Wyckoff_letters: g g g g

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


Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: c i i

Wyckoff_site_symmetries: 2/m m m


species: O Pt


species: Ag P

species_pp: Ag P

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

Wyckoff_letters_orig: a a a b b b b

Wyckoff_letters: a a a

Wyckoff_letters: a a a b b b b


species: Li O


species: Ni W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Os

sg:
Pnma #62
Pnma #62
Pnma #62


species: Fe Rh


species: Ca K


sg:
Pmna #53
Pmna #53
Pmna #53

sg2:
Pmna #53
Pmna #53
Pmna #53

Wyckoff_letters_orig: a g h

Wyckoff_letters: a g h


species: Ge Te


species: Er Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Tc


species: Co Ta

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: b c

Wyckoff_letters: d h

Wyckoff_letters: b c


species: C Li

Wyckoff_letters_orig: d d d

Wyckoff_letters: c h


species: Mo O

sg:
Pmmn #59
Pmmn #59
Immm #71

sg2:
Pmmn #59
Pmmn #59
Immm #71

Wyckoff_letters_orig: a e e

Wyckoff_letters: a m

Wyckoff_site_symmetries: mmm .m.


species: O Zr

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a d g

crystal_class: tetragonal-scalenoidal


species: O Sr

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


species: N Ti


species: Cd O

Wyckoff_letters_orig: e e


species: Co Zr


species: F Ti

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: O Zn

species_pp: O Zn


species: O W

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d f


species: I Li


species: B N


species: Al Te

species_pp: Al Te

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e e


species: Pt Ru

Wyckoff_letters: d e


species: O Re

Wyckoff_letters: e e


species: C Mg

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c


species: Fe O


species: Cr O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Cs Xe


species: Ta Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cu Nb

Wyckoff_letters: c c


species: F V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a b


species: Mo Ni

crystal_class_orig: diploidal

crystal_class: diploidal


species: Co Ga

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: a b

crystal_class: monoclinic-prismatic


species: Co Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


crystal_class_orig: hexoctahedral


sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a


species: Cu K


species: Hf Zn


species: Mn O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: c e f f f

Wyckoff_letters: c f

Wyckoff_letters: c e f f f


Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Co Sc

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Ca Zn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co K

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Rh Ru


species: Hg S

species_pp: Hg S

crystal_class_orig: trigonal-trapezoidal


species: O Tc

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i


species: Ir Ni


species: Ca Mn

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: K Mg


species: In O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b c


species: Sc V

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: I Tc

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

crystal_class: orthorhombic-bipyramidal


species: Li Mg


species: Cd O


species: Cr Mg

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: As Se

species_pp: As Se


species: Mo Y

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb Ni

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Sc Ti


species: I V

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: B N

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Cmcm #63
Cmcm #63


species: Li O


species: Tc Zr


species: O Sn

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_letters: c b e m

aflow_prototype_params_list_orig: a b/a c/a x6

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


species: Co Cu

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Fe Mo

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mo Zn


species: Co V


species: Cr Mn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cr Ni


species: Cu Ti

crystal_class_orig: tetragonal-dipyramidal


species: Cu Zn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Fe Ni


species: Co Cr

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co Mo


species: Co Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Ni


species: Cu W

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Zn

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Mo Ni


species: Mo V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni Ti


species: Ti W


species: W Zn


species: Cl Ta


species: O Pb

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

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Hg K


species: Hg In


Wyckoff_letters: b c


species: Hg S


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hg Te

species_pp: Hg Te

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ca Rb


species: Cs K


species: Cs Nb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: K Nb


species: Cl K


species: Cl Nb


sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: e g


sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Mg


species: Cl Rb


species: Dy Tb


species: Er Sm


species: Ce Pr

species_pp: Ce Pr


species: Pr Ti


species: Mo Ni


species: Cr Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Ce Cr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Eu

species_pp: Co Eu

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Co Tb


species: Cu Pr


species: Cu Tb


species: Cu Yb


species: Dy Ni


species: Mn Tb


species: I Ni


species: I Pb


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


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: La Pd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Sc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: La V


species: Nb Ta

Wyckoff_letters_orig: b c


species: Pt Y


species: Ag Au

species_pp: Ag Au

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ag Hf


species: Fe Sc


species: Ni Re


species: Os Ti


species: Pd Rh


species: La Mo


species: Fe Nb


species: Tc Ti


species: Cr Re


species: Nd Zn

species_pp: Nd Zn


species: Ni Zr


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co I

species_pp: Co I

crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Cr I

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: I K

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j

Wyckoff_letters: g i


species: I Li

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: I Mg

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


Wyckoff_letters_orig: n m

Wyckoff_letters: m n

Wyckoff_letters: c b


crystal_class: tetragonal-dipyramidal


species: I Ni

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Sb

species_pp: I Sb


species: Hg I

species_pp: Hg I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a d i


species: Ag Cr

Wyckoff_letters_orig: a c

crystal_class: hexoctahedral

Wyckoff_letters: a c


species: Au Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe Hg

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu I

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: m n

Wyckoff_letters: b c


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


crystal_class: ditetragonal-dipyramidal


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Al I

species_pp: Al I


species: Au Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Zr


species: Mn Pt

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: I Tc

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: c d d

Wyckoff_letters: d d d d d d

Wyckoff_letters: c d d


species: Mo Nb


species: Ir Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ir Tc


species: Au Tc


species: Mn Y


species: Ni Y


species: Ru Zn


species: La Pd


species: Mg 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 Sc


species: W Y

crystal_class: ditrigonal-dipyramidal


species: Nb V


species: O Zr

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

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

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


species: Hf Ta


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Ti


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ta W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Sc


species: Ir W


species: Ni Ru


species: Ag Ni

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Pt Ru


species: Ir Re


species: F Rb


species: Fe Li


species: Ag Bi


species: Ir Pd

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Re V


species: Ru V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c


species: Ge O

Wyckoff_letters_orig: e e


species: Ni Ti

sg:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Cu Nb


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Mo O


species: Cu O

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

crystal_class: trigonal-trapezoidal

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: O V


species: O Re

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe I


species: Li Tc


species: Ru Tc


species: Hg S

species_pp: Hg S


species: Mg Sm


species: F Ti

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: K O


species: Ag Mo


species: O Se

species_pp: O Se

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: O Sn

species_pp: O Sn


species: As I

species_pp: As I

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: K Mg

crystal_class_orig: ditetragonal-dipyramidal


species: Fe H

Wyckoff_letters: a b


species: Ca K


species: N Nb


species: Au Eu

species_pp: Au Eu


species: I K

sg2:
Immm #71
Immm #71
Immm #71

crystal_class_orig: hexoctahedral


species: Au Te

species_pp: Au Te

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


species: O Ti

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


species: F V

Wyckoff_letters_orig: f f f f f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f f f f f

Wyckoff_letters: f f


species: Li Mg


species: Ni Sn

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i

Wyckoff_letters: a i

Wyckoff_letters: i i


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Hf O


Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: Mn O


crystal_class: ditrigonal-scalahedral


species: Rh Zn

Wyckoff_letters: b c


species: F Fe

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: b b c c c c

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: b b c c c c


species: Hf Y

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Al Cu


species: O Te

species_pp: O Te

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

crystal_class: orthorhombic-bipyramidal


species: Li Mn


species: Cr F

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f f f


species: Ca O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe K

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Pd Sc


species: I Ti


species: O W

sg:
Pcc2 #27
Pccn #56
Pccn #56

Wyckoff_letters_orig: a d e e

Wyckoff_letters_orig: e e

Wyckoff_letters: a d e e


species: Hg Ti

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Mo O


Wyckoff_letters_orig: e f


species: Nb O

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: a c f l

Wyckoff_letters: a c h p

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: S Ti

crystal_class_orig: ditrigonal-scalahedral


species: I V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Pt

crystal_class_orig: dihexagonal-dipyramidal


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr K


species: Mn Ni


species: Bi O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: I Ta

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i i i


species: Mn O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j


species: Sc Ta


species: Cd Y

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

Wyckoff_letters: a e


species: O Sn

Wyckoff_letters_orig: a b d


species: Ca Cr

crystal_class: tetrahedral


species: O Ti

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


crystal_class_orig: trigonal-trapezoidal


species: F Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hf Mo


species: As Ca

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e f g g g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e f g g g


species: F V

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Ti Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: K Li


species: Dy Sn

Wyckoff_letters_orig: d g


species: O Tc


species: F Ni


sg:
Pnma #62
Pnma #62
Pnma #62


species: Ca O

Wyckoff_letters_orig: a c d

Wyckoff_letters: a b d

Wyckoff_letters: a c d


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


Wyckoff_letters_orig: e e

Wyckoff_letters: f e


species: Bi O


species: Fe O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: c c

Wyckoff_letters: b c

Wyckoff_letters: c c


species: O V

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i


species: Li Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr K


sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


Wyckoff_letters_orig: a b e

Wyckoff_letters: a b e

Wyckoff_letters: e e


species: H Li

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Ni O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Be Cr

Wyckoff_letters_orig: f i j

Wyckoff_letters: f i j


species: O Sc

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O W


species: Li O

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: a c f l

Wyckoff_letters: b e

Wyckoff_letters: a c f l


species: Pb Te

crystal_class_orig: trigonal-pyramidal


species: Ge Se

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Fe La

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: F V

crystal_class_orig: orthorhombic-bipyramidal


species: Co Tc


species: Fe Mg


species: Ca Li

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

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Cr N


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Fe Li


species: Cu O


species: Cr Sc

crystal_class_orig: tetrahedral


species: O Rh


species: Sc V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Fe Nd

Wyckoff_letters_orig: c g j k

Wyckoff_letters: c g j k


species: Ni Th

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c c


species: O Tc

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i

Wyckoff_letters: c i i i

Wyckoff_site_symmetries: 2/m m m m


species: O Pd


species: Ca F

crystal_class: hexoctahedral


species: Br Ga

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca Cu


species: O Zr

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: O Re

crystal_class_orig: diploidal

crystal_class: diploidal


species: La Os

Wyckoff_letters_orig: a e


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Ni


species: Au Rh


species: Al N

species_pp: Al N

Wyckoff_letters_orig: a b


species: Sn Te

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i

crystal_class: ditetragonal-dipyramidal


species: Tc Zr


species: O Tl

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: c a


species: Co Cr


species: C N

species_pp: C N

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a a


species: As Ru


species: O Ti

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: c c

Wyckoff_letters: g g


species: Cu Mg

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: P Re

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Nb O

Wyckoff_letters: a b

Wyckoff_letters: a e


Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Co La

species_pp: Co La

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: H Nb


species: O Rh

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c e j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c e j


species: Au Pt

species_pp: Au Pt

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: O Ta

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g i i

Wyckoff_letters: g i i


species: Cr Zn


species: Cu W


species: Mo V


species: Co Fe


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Mo

crystal_class_orig: hexoctahedral


species: Fe W

crystal_class_orig: ditrigonal-scalahedral


species: W Zn


species: Co Cr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co W


species: Cr Fe


species: Cu V

crystal_class_orig: dihexagonal-dipyramidal


species: Cu Zn

sg:
Immm #71
Immm #71
Immm #71


species: Fe Mn


species: Mn Mo

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

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


species: Mn Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni Ti


species: Ti V


species: V Zn

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hg Mg


species: Hg Yb

species_pp: Hg Yb


species: Ca Rb


species: K Rb


species: Li Nb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mg Ta


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


Wyckoff_letters: c c


species: Rb Ta


species: Hg Li


species: Cl K


species: O Pb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a


species: Cr Er


species: Fe Sm


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: g h h h

Wyckoff_letters: g h h h


species: Dy V


species: Cu Pr


species: Gd Pr

species_pp: Gd Pr


species: Nd Zn

species_pp: Nd Zn


species: Cl Ta

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Cr Sm

Wyckoff_letters: c d e


species: Ce Co

species_pp: Ce Co

Wyckoff_letters: a h


species: Ce Fe


species: Ce Ni


species: Co Dy


species: Eu Ho


species: Eu V


species: Fe Gd


species: Mn Pm

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Sm Zn


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72


species: Cd I

species_pp: Cd I


species: Co I

species_pp: Co I


species: Cr I

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Zn

species_pp: I Zn

sg2:
Ibca #73
Ibca #73
Ibca #73

Wyckoff_letters_orig: c c e d f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c c e d f f

Wyckoff_letters: f f


species: Cd Cs


species: Cu Pt

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Mn

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Ir Sc

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mn Y


species: Pd Sc

Wyckoff_letters_orig: a c


species: Ta Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: W Zr


species: Cu Y

Wyckoff_letters_orig: c c


species: Hf Y


species: Ag Ta


species: Fe Tc


species: Hg Pd


species: Ir Mo


species: Ru Ti


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hf Mo


species: Hg Tc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Hg


species: Mo Ta

Wyckoff_letters: c c


species: V Zr


species: Ge Sm


species: Ho Tb


species: Al O

species_pp: Al O


species: Co Ta


species: Mg O


species: Tc Zn

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Mo Zr

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co I

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cr I

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Fe I


species: I Li


Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: I Mg

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal

aflow_prototype_params_list_orig: a c/a z4


Wyckoff_letters: a c


species: Ge I

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g i j k n

Wyckoff_letters: g h

Wyckoff_letters: g i j k n


species: I Zr

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: b c

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i

Wyckoff_letters: c b


species: Cd I

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ba I

crystal_class_orig: tetragonal-trapezoidal


species: Hg I

species_pp: Hg I

crystal_class_orig: orthorhombic-bipyramidal


species: Cr Pt


species: Hf W

Wyckoff_letters_orig: a c


species: Ni Ta


species: I Zn

crystal_class_orig: trigonal-trapezoidal


species: Cr Ru


species: Hf Hg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d

aflow_prototype_params_list_orig: a c/a


species: Mo Nb

Wyckoff_letters: d e


species: Sc Tc

crystal_class: ditrigonal-scalahedral

aflow_prototype_params_list_orig: a c/a x2


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Pt Sc


species: Ir Os

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co Ir

species_pp: Co Ir

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ni Re

sg2:
Pnnm #58
Immm #71
Immm #71


species: Au Cd

species_pp: Au Cd

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Fe Se

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Mo Ta


species: Hf Zr


species: Ir Y


species: Pd S

crystal_class: monoclinic-prismatic


species: Os Zr


species: Au Pd

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Si W


species: Ag Zr

aflow_prototype_params_list_orig: a c/a z2


species: Rh V


species: Sc Ta

crystal_class_orig: diploidal


species: F Sr

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Co Si

species_pp: Co Si

Wyckoff_letters_orig: c c h h h h h h i i

Wyckoff_letters: c c h h h h h h i i


species: Al Zr


species: Os Tc


species: Ir Os

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Au Zr


species: Co Pt

species_pp: Co Pt

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca Ni


species: I Ti

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: F Ti


species: Ag Bi