species: Hg I

species_pp: Hg I


species: I Sn

species_pp: I Sn

Egap_DOS_type: insulator

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

point_group_type_orig: centrosymmetric

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: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_site_symmetries_orig: m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: i i i

Wyckoff_letters: a i

Wyckoff_site_symmetries: m m m


species: Cd I

species_pp: Cd I

Egap_DOS_type: metal

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Co I

species_pp: Co I

Egap_DOS_type: half-metal


species: I Zn

species_pp: I Zn

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

Wyckoff_letters_orig: d e g

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

Wyckoff_letters: d e g


species: Ag Re

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

Wyckoff_letters_orig: a d

Wyckoff_letters: a d

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Hg Tc


species: Nb V

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Nd Sm


species: Os Zr

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

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

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: Pt Tc


species: Ru Tc


species: Os V

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: diploidal

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_class: diploidal

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Cr Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Ir


species: La Rh

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


species: Re W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Mo Pd

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Sc Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cd Pd

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC


species: Hf Ti

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Hg Mn

reciprocal_lattice_type_orig: MCLC

reciprocal_lattice_type: MCLC


species: Co Y

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


species: Tc Zn


species: Mo Os

Bravais_lattice_relax: TET

lattice_variation_relax: TET


species: Hg Nb

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Tc W


species: Co I

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: Cr I

crystal_class_orig: tetragonal-scalenoidal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Wyckoff_letters: h i


species: Fe I

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: I K

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: a a

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC


species: I Li


species: I Mg


Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

aflow_prototype_params_list_relax: a c/a x2


crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic


species: I Ni


species: I Si

species_pp: I Si

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

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

Wyckoff_letters_orig: a a a a

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pedial

point_group_structure: trivial

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

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

Wyckoff_letters: a a a a


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: f h

reciprocal_lattice_type: RHL

Wyckoff_letters: f h


species: I Sn

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

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


species: I Sb

species_pp: I Sb

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

point_group_structure_orig: cyclic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic


species: I Pb


species: Ag Fe


species: Re Y


species: Cu I

crystal_class: tetragonal-scalenoidal


species: Sc V


species: Cr Sc

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Fe Pd

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Wyckoff_letters: a b


species: Ag Hf

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu Os


species: Ni O

Wyckoff_letters_orig: i i i i i i

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: i i i i i i

Wyckoff_site_symmetries: m m m m m m


species: Au Hf

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Ti

aflow_prototype_params_list_orig: a c/a x2


species: Fe Nb

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hf Hg

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Au Fe


species: Ir Os

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Hg Pt

species_pp: Hg Pt

crystal_class_orig: dihexagonal-pyramidal


species: Ba Te

sg:
Pmm2 #25
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b c e e g

Wyckoff_letters: b c e e g


species: Cu Sc

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: La V


species: Mo Ta


species: Rh Sc


species: Hf Nb


species: Hf Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: V Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Co Hg

species_pp: Co Hg


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb Ti

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

aflow_prototype_params_list_relax: a b/a c/a y2


species: Cu Dy

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: La Tc


species: Mg Pd


species: Au W

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Mg Si


species: Nb W


species: Pd Ru


species: Ni Re


species: Tb Ti


species: Au Cr


species: Hg Ru


species: Mg S

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: d d


species: La Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Hg Zr


species: Cu Hf

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O Ru

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters_orig: c c


species: Eu F

species_pp: Eu F

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: B W

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Bi O


species: Ca O

Wyckoff_letters: c c


species: Li V

Wyckoff_letters_orig: a c


species: Ca F


species: Co F

species_pp: Co F


species: K Mg

Wyckoff_letters_orig: b d


Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Ti W


species: Fe Li

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O V

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: a b c

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: a b c


species: Eu O

species_pp: Eu O


species: Ir La

species_pp: Ir La

Wyckoff_letters: a c


species: Cu K


species: O W

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_site_symmetries_orig: m m 1

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Wyckoff_letters: m m o

Wyckoff_letters: i m

Wyckoff_site_symmetries: m m 1


species: F Kr

species_pp: F Kr


species: Fe Hg


species: F Nb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: B Os

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ca Ni


species: O Pb

Wyckoff_letters_orig: a b

Wyckoff_letters: d c


species: Ca Mn


species: Ca O

crystal_class_orig: ditetragonal-dipyramidal


species: O Ta

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Ir Nb


species: Au W


species: Ni O

crystal_class: ditetragonal-pyramidal


species: Co K


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

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


species: Fe Mg

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Mo

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i

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

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


species: Pd Te


species: O Sr

sg:
Aem2 #39
Cmme #67
Cmme #67

sg2:
Aem2 #39
Cmme #67
Cmme #67

Wyckoff_letters_orig: c d d

Wyckoff_letters: g m m


species: O Sc

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: i i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m

Wyckoff_site_symmetries: m m


species: Ca I

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


species: Cd W


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Zr


species: Li Mn

Wyckoff_letters: c d e


species: Fe Ti


species: Mo V

Wyckoff_letters: c e d


species: Fe O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Tb

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O V

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Rh Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Mg Se

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: S Zn

species_pp: S Zn


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu O

crystal_class_orig: orthorhombic-sphenoidal

aflow_prototype_params_list_orig: a b/a c/a


species: Sn Te

species_pp: Sn Te


species: Ca Tc

Wyckoff_letters_orig: b f

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c e


species: Ti W


species: S W


species: Ca O

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Cu Li

crystal_class: hexoctahedral


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


species: F K

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: O Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Ru

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Co Ru

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Al Ba


species: I Mn

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: c f


species: Co F

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: O Sc

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a c


species: Ca Fe


species: N P

species_pp: N P


species: In Ni

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a


species: Cd Ta

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: Ac Cl

species_pp: Ac Cl

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Cu F

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: Fe I


species: Cu Sc

crystal_class_orig: hexoctahedral


species: I K


species: Mg S


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: c f


species: Fe Li


species: Ce Cu

sg:
Pnma #62
Pnma #62
Imma #74

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: O Pt

species_pp: O Pt

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: N Os

crystal_class_orig: diploidal

crystal_class: diploidal


species: K O

sg:
Pbcn #60
Cmcm #63
Cmcm #63

sg2:
Pbcn #60
Cmcm #63
Cmcm #63


species: Ag Bi

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Ca K

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Pb Te

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Ir Pt

species_pp: Ir Pt


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Bi O

sg:
Imm2 #44
Immm #71
Immm #71

sg2:
Imm2 #44
Immm #71
Immm #71

crystal_class_orig: orthorhombic-pyramidal

aflow_prototype_params_list_relax: a b/a c/a x3


species: Al Tc


species: Fe Mg


species: O Sr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


species: Re W


species: Mg O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: Ag Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Cd Ni

crystal_class: ditrigonal-dipyramidal


species: O S

species_pp: O S

Wyckoff_letters_orig: f f f f f f f f f

Wyckoff_letters: f f f f f f f f f


species: Fe K

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ca O


sg:
Ama2 #40
Cmcm #63
Cmmm #65

crystal_class: orthorhombic-pyramidal


species: Li Zn


species: Cr F

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c

Wyckoff_letters: c c c c


species: F Zn

species_pp: F Zn


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: K Te


species: Fe O


species: F Ni


Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Hg Zr


species: Se Sn

species_pp: Se Sn

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Li Ni

Wyckoff_letters_orig: a f

Wyckoff_letters: a f

aflow_prototype_params_list_relax: a b/a c/a


species: Ca K

sg2:
Pnma #62
Pnma #62
Imma #74


species: O Ru


species: K Li

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe Mn

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Mo N

Wyckoff_letters_orig: e k

Wyckoff_letters_orig: d i

Wyckoff_letters: e i

Wyckoff_letters: d l


species: F Fe


species: O Pt


species: W Zn

Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: c i


species: Co Cr


species: Pb Rb


species: K Pb


species: Mg Pb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: V W


species: Co Cu


species: Co V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Mn

crystal_class: ditrigonal-scalahedral


species: Fe Mo

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Fe Ni

crystal_class_orig: dihexagonal-pyramidal


species: Fe Ti


species: Fe V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Ni

Wyckoff_letters_orig: c d


species: Mo Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mo V


species: Ni Ti

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ni Zn


species: Co Fe

crystal_class: ditetragonal-dipyramidal


species: Co Ni


species: Co Ti


species: Co W

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Cr Cu

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l

aflow_prototype_params_list_orig: a b/a c/a x3


species: Cr Mn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu Ni


species: Cu V


species: Fe Mo

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe Zn


species: Mn V

Wyckoff_letters_orig: b c

crystal_class: hexoctahedral

Wyckoff_letters: b c


species: Mn Zn


species: Ni V


species: Ti V


species: Ti W

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Cl Nb

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: Hg K

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Ho


species: Hg Mg

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Hg Rb


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: F Pb


species: Ca Nb


species: Cs Nb


species: K Rb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mg Rb


species: Mg Ta


Wyckoff_letters: c d


species: Cl Mg


species: O Pb

Wyckoff_letters_orig: e f g g g

Wyckoff_letters: e f g g g


Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Tb Yb


species: Dy Ho

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Er Mn


species: F Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ce Zn

species_pp: Ce Zn


species: Ce Cr


species: Ce Pm

species_pp: Ce Pm


species: Fe Yb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Nd


species: Mn Pr


species: Mn Tb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hg I

species_pp: Hg I


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ga I


species: Cd Tc


species: Pt Ti

Wyckoff_letters: b c


species: Sc V


species: Zn Zr


species: Tc Y


species: Pd Rh

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ag V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: As Ir

species_pp: As Ir

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Fe


species: Hg Zr


species: Cr Y


species: Mn Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Re Ru


species: Ag W

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe Ta


species: Ho Pr


species: Os Rh


species: Sc Zn


species: Fe Pt


species: Nb Pt

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Re Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ru V


species: Au Zn

species_pp: Au Zn


species: Cd Cu


species: In K

Wyckoff_letters: d e


species: Ca I


species: Co I

species_pp: Co I

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

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b l

Wyckoff_site_symmetries: mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x4

aflow_prototype_params_list_relax: a b/a c/a x4


species: Cr I

sg:
Pbcm #57
Pmma #51
Pmma #51

sg2:
Pbcm #57
Pbcm #57
Pmma #51

Wyckoff_letters_orig: a d d

Wyckoff_letters: a e f


species: Fe I


species: I Li


species: I Mg

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g

Wyckoff_letters: d a


aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a b/a c/a beta


species: I Ni

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e


species: I Zr

Wyckoff_letters: a d


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Hg I

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f f

Wyckoff_letters_orig: d f g g

Wyckoff_letters: d f f

Wyckoff_letters: d f g g


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: I Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Fe Zr


species: Cu I

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Al I

species_pp: Al I

Wyckoff_letters_orig: d e


species: Hf Ta


species: Ir Y

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: W Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Cr Sc


species: Ni Rh

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Pd


species: Mn Nb


species: Nb V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ag Cd

species_pp: Ag Cd


species: Cd W


species: Cr I

sg:
Pnma #62
Pmma #51
Pmma #51

sg2:
Pnma #62
Pnma #62
Pmmn #59

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: c e a b


species: Mo Zr

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Os Ta

Wyckoff_letters: a d


species: Re Zr


species: Mo Se

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i

Wyckoff_site_symmetries: 2/m m m m m


species: Hf Mo


species: Hf Nb

point_group_Schoenflies: T

point_group_structure: alternating


species: Ta W


species: Ti Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ta Zr

Wyckoff_letters: d i


species: Tc Ti


species: Rh Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd Ir

species_pp: Cd Ir


species: Ag Co

species_pp: Ag Co


species: Tc Zn


species: Fe Rh


species: Cd V


species: Sr Te

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b b b b b

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

Wyckoff_letters: a a a b b b b b b

Wyckoff_letters: a a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m m


species: V Y


species: Sc Ti


species: Cd Ta

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Sn Te

species_pp: Sn Te


species: F Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Cu Li


species: Cu F


species: O Si

species_pp: O Si

sg:
Pnma #62
Pnma #62
Immm #71

sg2:
Pnma #62
Pnma #62
Immm #71

Wyckoff_letters_orig: c c


species: Fe Re


species: O Rh

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Cu K

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Pt Sc


species: F Sr


species: Co Ni

Wyckoff_letters_orig: a d


species: O V


species: I V

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c

Wyckoff_letters: m n

Wyckoff_letters: b c


species: Fe O

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Mn O

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: C Cr

crystal_class_orig: hexoctahedral


species: Nb Ta


species: Cd Ni

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: F Mg

Wyckoff_letters_orig: i i


species: I Nb


species: Re Y


species: Co K


species: Br Zr


species: I Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: O Tc


species: Co Ti


species: F Mn

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: Ru Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: c a


species: Ir Y

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: Cu O

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Fe Mg


species: O Ru


species: Ni W

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cr Li

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Li Mg


species: Ag Re


species: Pd Pt


species: O Sc

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f


species: S Sn

species_pp: S Sn


species: Cr O

crystal_class_orig: trigonal-trapezoidal


species: As Pr

species_pp: As Pr

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li O


species: Ti Zr

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cu Nb


species: Sn Te


species: Lu N

species_pp: Lu N


species: Hf Mo


species: Ni O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: O Sr

Wyckoff_letters_orig: a b


species: H S

species_pp: H S

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i

Wyckoff_letters: i i i


species: O Zr


species: Hg Pd

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: K O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O V


species: Fe O

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: Tc Ti


species: Re Ti

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a c


sg2:
Pmm2 #25
Pmmm #47
Pmmm #47


species: Cu Li


species: O Tc

crystal_class_orig: ditrigonal-scalahedral


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_letters: g i

Wyckoff_letters: i i j


species: Cr K

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Sc

crystal_class: diploidal


species: O Ti


species: Ca Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b c


species: Rh Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: La P

species_pp: La P


species: Ca Mn


species: Ca Zn


species: Bi O

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Ag Bi

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Nb W


species: Nb O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Pb Te


species: In 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: Hf O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: Ag Cd


species: Cr W

Wyckoff_letters: a d


Wyckoff_letters_orig: e e


species: O Tc

Wyckoff_letters_orig: a b b

Wyckoff_letters: a c c


species: Li V


species: I Ti


species: Hg Mn


Wyckoff_letters_orig: a d


species: Er I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: i i

Wyckoff_letters: a i i

Wyckoff_site_symmetries: 2/m m m


species: O Ti


Wyckoff_letters_orig: a g

Wyckoff_letters_orig: g g


species: F Mn

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: F Hg

species_pp: F Hg

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Au Ru

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Mn O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Au Er


species: F V

Wyckoff_letters_orig: a a


species: F Fe

sg:
Pmna #53
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: e h

Wyckoff_letters: g b

Wyckoff_site_symmetries: mmm mmm


species: Cr Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: O Os


species: F Mo

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: As Y


species: Fe K

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e f


species: O Re


species: Sc Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: I Mn


species: Ni V


species: Mo O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: In Ir

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ag F

species_pp: Ag F

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Sn

species_pp: O Sn


species: Fe Hf

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: O Sc


species: I V


species: Ag Ni


species: F V


species: Ga Zr

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ir Pd

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: O V

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Ta

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i


species: Ca K

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: V Y


species: Hf Re

sg:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: K Li

crystal_class: ditetragonal-dipyramidal


species: Pb Te

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: F Zn


species: Cu Li


species: O Pd

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: O Os

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: I Li

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: C Li

Wyckoff_letters_orig: a a a b b b

Wyckoff_letters_orig: a a a a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a b b b

Wyckoff_letters: a a a a b b


species: In O

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m


species: Li Zn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: h k

Wyckoff_letters: a b

Wyckoff_letters: h k


species: Ti V


species: Co Tc


species: Pb S


species: O Sn

Wyckoff_letters_orig: e e


species: Ca Pb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pb Rb


species: K Pb


species: O Ta

crystal_class_orig: trigonal-trapezoidal

aflow_prototype_params_list_orig: a c/a y2


species: Cr Mn


species: Cu Mo

sg:
Pnma #62
Pnma #62
Pnma #62


species: Co Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Mn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co W


species: Cr W


species: Fe Ni


species: Mo W

crystal_class_orig: tetrahedral

Wyckoff_letters: c e d


species: Ti Zn


species: Co Cr


species: Co Cu

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Ni


species: Cr Ni


species: Cu Fe

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cu Mn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Fe Mn


species: Fe Zn

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Mn Zn


species: Mo Ni


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ni Ti


species: V W


species: Cl Nb


species: F Pb


species: Hg K


species: Hg Li


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Ca Ta


species: K Nb


species: Mg Rb


Wyckoff_letters: e e


crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Cl Ta

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Cl Rb


species: O Pb

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a


species: Ce O

species_pp: Ce O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: c g

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: c g


species: Dy Ni

crystal_class_orig: ditetragonal-dipyramidal


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: e g

Wyckoff_letters: b e


species: Ce Mn


species: Ni Tb


species: Cu Dy

crystal_class_orig: ditrigonal-scalahedral


species: Co Ho


species: Pr Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: i j j j k k

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: i j j j k k


species: F Ta

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h

Wyckoff_letters: i i i j j j

Wyckoff_letters: a c g h


species: Sm Zn


species: Dy Nd


species: Er Pm

crystal_class_orig: dihexagonal-dipyramidal


species: Er Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Gd


species: Ag I

species_pp: Ag I

sg2:
Cm #8
Cm #8
Cm #8


species: Ba I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72


species: I Ni

crystal_class: triclinic-pinacoidal

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

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


species: Ge I

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


species: I Rb


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

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c e d f f

Wyckoff_letters: f f


species: Cd La

species_pp: Cd La

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Co Sc


species: Cu Li

Wyckoff_letters_orig: a e


species: Fe Y

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Mn Ta

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Os V


species: Nb Pd


species: Tc Zn


species: Hf Os


species: Ir Ti


species: Pd Ru


species: Fe Re

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: La Os


species: Ni Sc


species: O Pr

species_pp: O Pr

sg:
Pccn #56
Pccn #56
Ibam #72

sg2:
Pccn #56
Pccn #56
Ibam #72

Wyckoff_letters_orig: c e


species: Pd Ta

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ta Tc

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ta W


species: Hf Zr


species: Nb Re


species: Cr Zr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Ru Sc

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Al O

species_pp: Al O


species: Mn Sc


Wyckoff_letters_orig: a c


species: Tc W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca I

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Cr I

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


species: Fe I


species: I K


sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: I Li


species: I Mg


Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: c e b m

Wyckoff_letters: d a

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: Be I


species: I Si

species_pp: I Si

sg2:
Pnma #62
Pnma #62
Pnma #62

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

Wyckoff_letters_orig: c c c

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

Wyckoff_letters: c c c


species: I Rb


species: I Zr

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Sn

species_pp: I Sn


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Au Ru

Wyckoff_letters: a c


species: Cu I

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i


species: I Zn

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: Ga I


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hg Re

crystal_class: ditrigonal-scalahedral


species: Re Rh


species: V Zr

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Mo Nb

Wyckoff_letters_orig: h i

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h i


species: Ru Sc

crystal_class_orig: dihexagonal-pyramidal


species: Ag Bi

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Hf Zr


species: Sm Zn

Wyckoff_letters_orig: a c


species: O Pb

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


species: Pd Sr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf W


species: Hf Nb


species: Hf Ta


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: W Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: b k

Wyckoff_letters: b k


species: Ag Rh


species: Cr Ta


species: Fe Ta


species: O Sn

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c d

Wyckoff_letters: f g

Wyckoff_letters: c a


species: Re Zn

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Au W


species: Co Pm

species_pp: Co Pm


species: Ag Sc

sg:
Pnma #62
Pnma #62
Imma #74

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb Rh

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Rh Ru


species: S Sc

Wyckoff_letters: g c


species: Cd Re

Wyckoff_letters: a c


species: Pd Pt


species: Nb Sc

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a f h


species: Cr Hg


species: Ca K

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: I Nb

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: B Cr


species: O Ti


species: Cr Zn


species: Ti Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Mo


species: I Mg


species: O V


species: Ge Pr


species: Li Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca Ti

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cr Li


species: Ca O

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


species: O Rh


species: Ir Ru


species: O Os

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: F K


species: Nb O


species: Cr K


species: Br Y


species: Gd O

Wyckoff_letters_orig: a c


species: Os Ta


species: I Mn


species: Ca Zn


species: Cr Mo


species: Bi Sm


species: Li Ti


species: Li Ni

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Sc

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a


species: Hf O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Ag Yb

species_pp: Ag Yb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c l

Wyckoff_letters: a h

Wyckoff_letters: c l


species: O Re

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Fe Pt


species: K Mg


species: Ca Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe Re


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe O


species: Ca Tc


species: Re Rh

Wyckoff_letters: a c


species: Al Ce

species_pp: Al Ce


species: Bi Ti


species: I Mn

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Pd Y

Wyckoff_letters_orig: a b f

Wyckoff_letters: a b f


species: Cr Mn


species: Te Zn

species_pp: Te Zn


species: O W


species: Mn O

Wyckoff_letters_orig: a i i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: a i i i i


species: Li Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cr Y

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: As Ti


species: Mo O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: Hf Zn


species: Er Si

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Cr V

Wyckoff_letters_orig: a c


species: Sc Tc


species: Cr O


species: O Rh

crystal_class: dihexagonal-pyramidal


species: K O


species: Bi Ti


species: C Fe

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Fe

Wyckoff_letters_orig: c i

Wyckoff_letters: b c


species: Li V


species: Nb Sc


species: Fe I


species: Cu O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Mn Re


species: O Os

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: a e f f f

Wyckoff_letters: f f


species: Ca O

Wyckoff_letters_orig: e e e

Wyckoff_letters: b b

Wyckoff_letters: a a a


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu K

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Cr F


species: O W

Wyckoff_letters_orig: a b


species: Mg O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Ag Ir

species_pp: Ag Ir

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: C Re


species: Ta Zn


species: I Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: B C

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cr O


species: O Ta

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Zr

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Cd Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Ti

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a g

Wyckoff_letters: a h


species: O Zn

Wyckoff_letters_orig: a a c c d

Wyckoff_letters_orig: a a c d d

Wyckoff_letters: a a c c d

Wyckoff_letters: a a c d d


Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Ir Tc

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: Ti W


species: F Sn

species_pp: F Sn

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e e e

Wyckoff_letters: a e


species: Nd Sn

species_pp: Nd Sn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Bi O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ni O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b


species: Ca Cr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf O


Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Mo Re

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Pd Tc


species: O W

sg:
Pmmn #59
Cmmm #65
Cmmm #65

sg2:
Pmmn #59
Pmmn #59
Cmmm #65

Wyckoff_letters_orig: a e e

Wyckoff_letters: a h g


species: Cu F

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c d d d d

Wyckoff_letters: a c d

Wyckoff_letters: c d d d d


species: Hg O

species_pp: Hg O


species: Ir Os


species: Pb Te

sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c


species: Ge S

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: As Ta

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a h


species: Tc V


species: Ni Sc


species: Ni P

Wyckoff_letters_orig: a b b b

Wyckoff_letters: a b b b


species: Os Y

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Yb

species_pp: O Yb

crystal_class_orig: trigonal-pyramidal


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


crystal_class_orig: ditetragonal-dipyramidal


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: O Ti

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Nb O

Wyckoff_letters_orig: a f h

crystal_class: dihexagonal-dipyramidal


species: O Zr


species: Fe O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu Os

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: a b


species: C Co

species_pp: C Co


species: Cu O

Wyckoff_letters_orig: a b b

crystal_class: diploidal

Wyckoff_letters: a d


species: Fe Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Al Ir

species_pp: Al Ir


species: Co Li


species: Ir Pt

species_pp: Ir Pt

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: F V


species: Fe Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: F Fe

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: I Ti

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: Pt Rh

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Fe K


species: K O


species: Hf Re


species: La Ru


Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Bi O


species: Co O

species_pp: Co O

crystal_class_orig: orthorhombic-pyramidal


species: Fe Y


species: In Sr

Wyckoff_letters_orig: b f m m

Wyckoff_letters_orig: a i

Wyckoff_site_symmetries_orig: mmm 2mm .m. .m.

Wyckoff_letters: b f m m

Wyckoff_letters: a i

Wyckoff_site_symmetries: mmm 2mm .m. .m.


species: F Mg

crystal_class: monoclinic-prismatic


species: Li Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ca O


species: Cr Cu

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: F Mn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Pd Zn

Wyckoff_letters_orig: a d


species: Fe I

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Nb Ta

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Cr Mn


species: Cu W


species: Ni V

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Co Cr


species: Co Fe

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co Ni


species: Co Ti

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co Zn

species_pp: Co Zn

crystal_class: ditetragonal-dipyramidal


species: Cu Fe


species: Mn Ni


species: Mn Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ni W

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: Ni Zn


species: Cr Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Ni


species: Fe Mn


species: Fe Zn


species: Mn Mo


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo Ti


species: Ti V


species: Cl K

Wyckoff_letters_orig: b a


species: O Pb

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: e e

Wyckoff_letters: e e f

Wyckoff_letters: e e


species: Cl Pb

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hg In

sg2:
Immm #71
Immm #71
Immm #71


species: Hg K

crystal_class_orig: diploidal


species: Hg Mg

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cs Li

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: K Ta


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Li Nb


species: Mg Rb


Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Pb Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cs F


species: F Ta

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O Sm


species: O Pm

species_pp: O Pm

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b


species: Ho Ti


species: Co Sm


species: Fe Tb


species: Tb Zn

Wyckoff_letters_orig: b d


species: Fe W


species: F Nb

Wyckoff_letters_orig: i i i j j j j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j j j j

Wyckoff_letters: g j


species: Co Dy


species: Dy Pm


species: Ho V


species: Cd I

species_pp: Cd I


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Ni


species: I Pb


species: I Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag Re


species: Ir Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Pd W

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Y Zr

Wyckoff_letters_orig: a h


species: La Sc


species: Ag Fe

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Au Y

Wyckoff_letters: b d


species: Cd Hf


species: Fe Tc


species: Os Tc

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Sc Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf Rh


species: Mo Pt


species: Hg Pt

species_pp: Hg Pt

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ag Cu


species: Ir Ta

crystal_class_orig: dihexagonal-pyramidal


species: Cd Pt

species_pp: Cd Pt


species: Nb Ta

crystal_class_orig: ditetragonal-dipyramidal


species: Pt Ru

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr I


Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: I K

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e


species: I Mg

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Ni


species: Be I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: I Si

species_pp: I Si

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: I Zr

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Ba I

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a


species: Fe Pt

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu I


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i


crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Al I

species_pp: Al I

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Dy Nd


species: Au Pd

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: As In


species: Ho Zn


species: Pd Ru


species: Cr Tc


species: Ba Si

crystal_class_orig: ditrigonal-scalahedral


species: Au W


species: Cu Tc


species: Nb Ti


species: W Zr


species: Hf Ta


species: Hf V


species: Mo Ta

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mo Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: V Zr


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Pt


species: Hf Mn


species: Hf Zn

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Hg Zn

species_pp: Hg Zn


species: Ni Tc


species: Sc Tc


species: Hf Ti


species: Au Rh


species: Ru Sc

crystal_class_orig: tetrahedral


species: Sc Ta


crystal_class: monoclinic-prismatic


species: Li Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: C Rh

crystal_class: ditrigonal-scalahedral


species: W Zn


species: Ir Pd

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Bi Sm


species: Al Ru

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ge Te


species: Ag Fe

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: C Ti


species: H Li

Wyckoff_letters_orig: f f f f f

Wyckoff_letters: f f f f f


species: Cu K


species: Fe O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Ca Fe

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Co Ni


species: Ni Zr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: F Fe

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: F Ir

species_pp: F Ir


species: Be O

crystal_class: diploidal


species: Cu O


species: Mn O

Wyckoff_letters_orig: g e n

Wyckoff_letters_orig: h f n

Wyckoff_letters: g e n

Wyckoff_letters: h f n


species: Mn Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr F

Wyckoff_letters_orig: f f i

Wyckoff_letters: f f i


species: Ca Zn


species: Ti V

crystal_class_orig: hexoctahedral


species: Au Cu


species: F Mn


species: O W

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: F Sn

species_pp: F Sn

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: K O


species: Co Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I K


species: Cr O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a


species: Ir Y


species: Ti W


species: Co Hf

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Ni Pt

crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ag Hf


species: Cd Ir

species_pp: Cd Ir

crystal_class: hexoctahedral


species: O Zn

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cu Ni


species: S Zn

species_pp: S Zn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b b a a a c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b b c c


species: Bi O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd O

species_pp: Cd O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b


Wyckoff_letters_orig: a a b b b

Wyckoff_letters: a a b b b


species: O V


species: Li O


species: Pb Yb


species: Al H

species_pp: Al H


species: Cl Zn

species_pp: Cl Zn

crystal_class: orthorhombic-pyramidal


species: Fe Ir

Wyckoff_letters_orig: c d


species: Ir O

species_pp: Ir O


species: Ca Li

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Ni Pd

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: H Ni

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b e i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: b e i i i i i


species: Cd Nb

crystal_class: ditetragonal-dipyramidal


species: K Li


species: Cu O


species: Hg O

species_pp: Hg O


species: Pd V


species: O Ti


species: Ni O

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: c h

Wyckoff_letters: a b d

Wyckoff_letters: c h


species: Fe O

Wyckoff_letters_orig: a e

Wyckoff_letters: e a


species: Rh Ru

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd O

Wyckoff_letters_orig: i i i


species: O Pb


species: Pb Te

Wyckoff_letters_orig: a a


species: Be Tc

Wyckoff_letters_orig: c d f g

Wyckoff_letters: c d f g


species: F Fe

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: S Ta


species: Bi O


species: Cr Li


species: O Si

species_pp: O Si

Wyckoff_letters_orig: i j k m

Wyckoff_letters: i j k m


species: I O

species_pp: I O

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: Ca K


species: Ca O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Ca Zn


species: Re Ru


species: Ni O


Wyckoff_letters_orig: d f g

Wyckoff_letters: d f g


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i


species: O Zn


species: Mn Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb S


species: O W

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Nb

crystal_class_orig: rhombohedral


species: Cd Y


species: Fe O


species: Fe Ni

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Th Tl

Wyckoff_letters_orig: d g


species: Mg O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: La W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li O

crystal_class_orig: ditetragonal-dipyramidal


species: Pb Se

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Co Ti


species: Co F

species_pp: Co F


species: C Ce

species_pp: C Ce


species: I Tc

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: O Sr


species: I Zn

species_pp: I Zn


species: Pd Sb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c c c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c c c c


species: Cu Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Mg


species: Bi O


species: Cr F

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: Ge O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: c b d d


Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: O Rh

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


species: Fe O


species: Cd O

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: c b

Wyckoff_letters: a g f j

Wyckoff_site_symmetries: mmm mmm mmm 2mm

aflow_prototype_params_list_relax: a b/a c/a x6


species: Ho N

crystal_class_orig: diploidal

Wyckoff_letters_orig: a d


species: Ag Rh


species: Cr Os


species: Cr K


species: O Ti

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a

Wyckoff_site_symmetries: m m m m m m m


species: O Rb

crystal_class_orig: ditrigonal-scalahedral


species: Cs Pb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe Mn

Wyckoff_letters_orig: c d


species: Co Fe

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Mn


species: Co Mo

Wyckoff_letters: a d


species: Co V


species: Co W


species: Cr Fe

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr Mo


Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Cu Mo


species: Cu Ti


species: Fe Ti

aflow_prototype_params_list_relax: a c/a z2


species: Fe W

crystal_class_orig: tetrahedral


species: Mn Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ni V

crystal_class: dihexagonal-dipyramidal

aflow_prototype_params_list_relax: a c/a


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


species: V Zn

crystal_class: orthorhombic-bipyramidal


species: Co Cr


species: Co Ni


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mn Ti


species: Mo V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_relax: a c/a z3


species: Mo W

Wyckoff_letters_orig: a h


species: Ni Zn


crystal_class_orig: hexoctahedral


species: Ti Zn

Wyckoff_letters: c e d


species: Cl Nb


species: F Nb

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e


species: O Pb

sg2:
Pnc2 #30
Pbcn #60
Pbcn #60

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters_orig: a b c c

Wyckoff_letters: d d d

Wyckoff_letters: c d


species: Hg Yb

species_pp: Hg Yb


species: Hg In


species: Hg Rb

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg S

species_pp: Hg S

crystal_class_orig: orthorhombic-bipyramidal


species: Ca Nb


species: K Nb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Li Ta


Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Nb Pb


species: F Pb


species: Cl Pb


species: Pm V

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Er Pm

crystal_class: ditrigonal-scalahedral


species: Er V


species: Sm Ti

Wyckoff_letters_orig: a d


species: Sm V


species: Nd Ti


species: Cr Cu


species: Tb Zn


species: Ce Pr

species_pp: Ce Pr


species: Co Er


species: Co Tb


species: Cr Dy

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cu Er


species: Cu Pr


species: Dy Eu


species: Dy Pr


species: Ho Tb


species: Nd Zn

species_pp: Nd Zn


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Si

species_pp: I Si

Wyckoff_letters_orig: c d

crystal_class: diploidal


species: I Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Cd V


species: Fe Ir


species: N Pt

species_pp: N Pt


species: Pt Re


species: Cu Pt


species: Hf Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: La Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Rh Y


species: Ag Mn


species: Nb Ta

Wyckoff_letters: a d


species: Pd W

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Au Zn

species_pp: Au Zn


species: Nb Os


species: Nb Zr


species: La Tc


species: Mg O


species: Ag Nb


species: Ca I


species: Co I

species_pp: Co I

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe I


species: I K

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: I Li

crystal_class_orig: ditrigonal-pyramidal


species: I Mg


Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b


species: I Ni


sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: a h

Wyckoff_letters: h g

Wyckoff_letters: a h


Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


species: Be I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: I Si

Wyckoff_letters_orig: e f g g g

Wyckoff_letters: e f g g g


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: Cd I

species_pp: Cd I


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f f f

Wyckoff_letters: e f

Wyckoff_letters: f f f


species: I In

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal

aflow_prototype_params_list_relax: a c/a y2


species: I Sb

species_pp: I Sb


species: Ba I


species: Cd Y


species: Al I

species_pp: Al I


species: Ga I


species: Au Re

crystal_class: hexoctahedral


species: Co Pt

species_pp: Co Pt

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Fe Sc


species: Hg Y


species: Au Zr


species: Hf Re


species: Pt Ti


species: Cd Cu


species: Co Os


species: Ni Re

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hg Pt

species_pp: Hg Pt


species: Hg V


species: Ir Rh


species: Mn Y

Wyckoff_letters: a b


species: Pt Zn

species_pp: Pt Zn


species: Au Fe


species: Au Rh


species: La Rh


species: Hf Nb


species: Hf W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Mo Nb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb Ta


species: Ta V


species: Ta Zr

Wyckoff_letters: a d


species: Cr Sc

Wyckoff_letters: c d e


Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Cr Pt


species: Hg Ta


species: Ru Ta

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: C Co

species_pp: C Co


species: Hg Rh


species: Au Ti


species: Mo Se

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: c b

Wyckoff_letters: a g f j


species: O Ti

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b

crystal_class: tetragonal-pyramidal

Wyckoff_letters: b b b b

Wyckoff_letters: b b


species: Fe O


species: K Li

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: I Nb

crystal_class_orig: ditrigonal-dipyramidal

aflow_prototype_params_list_relax: a c/a x2


species: Ca Zn

Wyckoff_letters_orig: a f


species: Co Mo

crystal_class_orig: ditetragonal-dipyramidal


species: F Ni

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: c c


species: Cr O

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe Nb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Co

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Re


species: Bi O

Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: Cd Hg

species_pp: Cd Hg


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a b l

Wyckoff_letters: a b l


species: H Nb

Wyckoff_letters_orig: c c


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: c f

Wyckoff_letters: c f f


species: Bi Ti


species: Ca O


species: Ni Sb

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cd Sc

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Pd


species: Li Mn


species: Os Pt


species: C Ti


species: La Tc

Wyckoff_letters_orig: c f


species: O V


species: Mn Ni


species: S Ti

crystal_class: ditrigonal-pyramidal


species: Mg O


species: Cr K


species: Tc Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Lu Te

species_pp: Lu Te


species: Hf O


species: Li Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Li


species: O Y

Wyckoff_letters_orig: e f f f f

Wyckoff_letters: e f f f f


species: O Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ir O

species_pp: Ir O


species: Mo Zr


species: Co Mg


species: Fe Mo

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Fe Ti


species: Cd Cr


species: Nb O

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Fe O


species: Cu Mg


species: Co K

crystal_class: ditetragonal-dipyramidal


species: Ca Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Al Tb

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: b c

Wyckoff_letters: d h

Wyckoff_letters: b c


species: Co O

species_pp: Co O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: O Ti

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

Wyckoff_letters_orig: g g g g

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

Wyckoff_letters: g g g g


species: Ca O


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni O

Wyckoff_letters_orig: c c d e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c d e


species: Li Mg

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co Zn

species_pp: Co Zn


species: O V

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b


Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f


species: Ge Se


species: Mn Pd

Wyckoff_letters_orig: a d


species: O Sr


species: O Pd

Wyckoff_letters_orig: a f h

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f h


species: Hf O

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: c g

Wyckoff_letters: c g


species: I V


species: Cr F


species: Re Zr

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: O Si

species_pp: O Si

Wyckoff_letters_orig: g h h h

Wyckoff_letters: g h h h


species: Li Mn


Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a

Wyckoff_letters: a a


species: N Re

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a


species: Cu Sn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca F

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: F V

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h

Wyckoff_letters: i i i j j j

Wyckoff_letters: a c g h


species: Cs Si

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i i i i


species: I Nb


species: Ca Cu


species: Fe O

Wyckoff_letters_orig: a d e e

Wyckoff_letters: c e


species: Ni O


species: Hg Tc

crystal_class_orig: diploidal


species: Ir Y


species: F Mn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: N Tc

crystal_class: dihexagonal-dipyramidal


species: Mn Zr

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Au Cu

crystal_class_orig: ditrigonal-scalahedral


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

Wyckoff_letters_orig: c c c c c c b b b

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

Wyckoff_letters: c c c c c c b b b


species: F Tl


species: O W

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Hg Re


species: Co O


Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: Cd Sc

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: S Ti

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca Co


species: Sb Sn

species_pp: Sb Sn

crystal_class_orig: hexoctahedral


species: Nb O

crystal_class: ditrigonal-scalahedral


species: Fe O


species: O Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li V


species: Mn V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Ti


species: F Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: La Pt

species_pp: La Pt


species: Ni Zn


species: Te Zn

species_pp: Te Zn


species: O Sc

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I Nb

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

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


species: La N

species_pp: La N


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Ta

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b


species: I Ta


species: Rh Ta


species: K Mg


species: Br Cl

species_pp: Br Cl

crystal_class_orig: orthorhombic-pyramidal


species: F V


species: O Tc

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: d h

Wyckoff_letters: g h

Wyckoff_letters: d h


species: Co F

species_pp: Co F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Bi O


Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e


species: I Tc

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


species: Mn Ti

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O V

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Nb Zr

crystal_class: hexoctahedral


species: Ca Cr


species: Au Fe


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


species: Nb Re

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Zr


species: I Mg


species: Ca O


species: O Pd


species: Ca Mg

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: B W


species: Cr V


species: C Zn

species_pp: C Zn


species: Fe Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Mg

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

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


species: Mo P

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: F Xe

species_pp: F Xe

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Nb

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Ru Zn


species: As Ta

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g


species: O Rb


species: Li Pb

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: O Ta

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c c c c


species: Pb Rb


species: Co Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Fe Ni


species: Fe V

crystal_class_orig: ditrigonal-dipyramidal


species: Co Fe

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Co W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr W

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr Zn


species: Cu Ni

crystal_class: diploidal


species: Cu Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu W


species: Fe Mn


species: Fe Ti


species: Mn W


species: Mn Zn


species: Ti Zn


species: Co Cr


species: Fe Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ni V

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ni W

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ni Zn


species: Ti V


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Cl Nb

Wyckoff_letters_orig: a a a

Wyckoff_letters: d c


species: Hg Yb

species_pp: Hg Yb

crystal_class: ditetragonal-dipyramidal


species: Hg Ho


species: Hg S

species_pp: Hg S


species: Hg Se

species_pp: Hg Se


species: Ca Cl


species: I Ta

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


species: Ca Cs


species: Ca Nb


species: Nb Pb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mg Rb


species: Hg Li

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Eu O

species_pp: Eu O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

crystal_class: rhombohedral

Wyckoff_letters: a b c


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: g g

Wyckoff_letters: i h


species: Ni Sm


species: Cu Pr


species: Dy Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cl Nb

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: Fe Pr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ce Fe

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Co Er


species: Co Ho


species: Cu Gd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Er Fe

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Yb


species: Mn Sm


species: Mn Tb


species: Pr Ti


species: Pr V

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Co I

species_pp: Co I


species: Hf Zn


species: Ni Ta


species: Sc V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Sc Zn


species: Ta V


species: Au Nb


species: Cr Ir


species: Fe Y


species: Fe Os


species: Hf Hg


species: Ag Ta

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pd W


species: Mn O

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cu Hf

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ir Os

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Mo Rh

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Nb Pt

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: O Sn

species_pp: O Sn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a


species: Cd La

species_pp: Cd La


species: Co I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Cr I


Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Fe I


crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: I K


Wyckoff_letters_orig: b b c a a a

Wyckoff_letters: b b c a a a


species: I Li


species: I Ni

Wyckoff_letters_orig: a b


species: Be I


species: Ag I

species_pp: Ag 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 In


species: Rh Zr

Wyckoff_letters_orig: c d


species: Cu I

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: La Ni

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe La

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Au Hg

species_pp: Au Hg

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Hg Zn

species_pp: Hg Zn

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Mo Os

crystal_class_orig: ditrigonal-scalahedral


species: Os Re


species: V Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ag Ta

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ca Cl

Wyckoff_letters_orig: a a


species: I Sr

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters_orig: a b c c

Wyckoff_letters: c c c c c c

Wyckoff_letters: a b c c


species: Ni Sc


species: Ni Y


species: Ba Se

Wyckoff_letters_orig: a e


species: Co Os

crystal_class_orig: dihexagonal-dipyramidal


species: Co Sc


species: Nb Se

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Cu Er


species: Mn Ru

Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: d i


species: Pt V

crystal_class: ditrigonal-dipyramidal


species: Gd Ti


species: Os V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Au Co

species_pp: Au Co


species: La Os

crystal_class_orig: hexoctahedral


species: Hf Ta


Wyckoff_letters: a e


species: Mo Nb

Wyckoff_letters_orig: a c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a c


species: Ta Ti


species: Ta W


species: Hf V


species: Hf Hg

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hg Sc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: La Zr


species: Ni Rh

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Mn


species: Sc W


species: Cd V


species: Pd Si


species: Tc W


species: Nb Sc


species: O Zn

species_pp: O Zn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters: c c


species: S Sn

species_pp: S Sn

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: a a a a a

crystal_class: dihexagonal-pyramidal


species: F V

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Fe Li

sg:
Immm #71
Immm #71
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: Se W


species: Co O

species_pp: Co O

crystal_class_orig: dihexagonal-pyramidal


species: La O

species_pp: La O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O V

Wyckoff_letters_orig: a l o

Wyckoff_letters_orig: d k n

Wyckoff_letters: a l o

Wyckoff_letters: d k n


species: Co Ru


species: Ru Tb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn O

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

Wyckoff_letters_orig: a b l

Wyckoff_letters: a b h

aflow_prototype_params_list_relax: a c/a z4


species: La Ti

Wyckoff_letters_orig: c c


species: C K


species: Cd F

species_pp: Cd F


species: Li Mn

sg2:
Pnma #62
Pnma #62
Imma #74

crystal_class: hexoctahedral


species: Pt Zn

species_pp: Pt Zn


species: O Rh


species: Ru Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu F

crystal_class_orig: tetragonal-trapezoidal


species: Bi Mg

crystal_class_orig: diploidal


species: O Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: Cl F

species_pp: Cl F

crystal_class_orig: orthorhombic-bipyramidal


species: I V

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b


species: Ca Fe


species: F Ti

sg:
Pnma #62
Imma #74
P4/mmm #123


species: F Ni

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: b d

crystal_class: trigonal-trapezoidal

Wyckoff_letters: e g

Wyckoff_letters: b d


species: Nd Pd


species: Pb Te

crystal_class_orig: ditetragonal-dipyramidal


species: C Ru

crystal_class_orig: ditetragonal-pyramidal


species: F Mg

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e


species: C N

species_pp: C N

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: O Sr

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e


species: Cr Ni


species: Fe K

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Rb Te

Wyckoff_letters_orig: a j

Wyckoff_letters: a j


species: I Mn

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: F Mn

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

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe O

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Co Mg

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: O Os

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ca F

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a b g g

Wyckoff_letters: c g

Wyckoff_letters: a b g g


species: Ge Se

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: Bi Ti


species: Co Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: S Sn

Wyckoff_letters_orig: g h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: g h


species: K P


species: Cr Li

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca V


species: Be O


species: I Tc

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: La Sc


species: Li Tc


species: I Nb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Mg O


species: O V

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c c

Wyckoff_letters: c c d

Wyckoff_letters: c c


species: Nb O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Au Ta


species: F V


species: O Ti


species: Gd O

species_pp: Gd O

crystal_class: diploidal


species: Fe Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd Sc


species: Co Cr


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Cr Rh

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: a b b


species: Co O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: F Fe

sg:
Pbcn #60
Pbcm #57
Pbcm #57

sg2:
Pbcn #60
Pbcn #60
Pbcm #57

Wyckoff_letters: c d


species: Cr O

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Zr


species: Cr N


species: Cd Cr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Pb

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: O Zn

Wyckoff_letters_orig: a d g h


species: F Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Tc

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: O Tc


species: Cu Li

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: F Zn

species_pp: F Zn


species: Al Tc


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Mn Y

aflow_prototype_params_list_relax: a c/a x3


species: Li Mg


species: O Sr

Wyckoff_letters_orig: j j j

Wyckoff_letters: j j j


species: Cr K

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: O V


species: Pb Te

sg:
Pbcn #60
Pbcn #60
Pbcn #60


species: I Ti


species: Mn W

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_relax: a c/a x4


species: Nb O

sg:
Pbcm #57
Pnma #62
Pmma #51

sg2:
Pnma #62
Pnma #62
Pmma #51

Wyckoff_letters_orig: a b

aflow_prototype_params_list_relax: a b/a c/a z2


species: Ba Si

Wyckoff_letters_orig: c i k

Wyckoff_letters: c i k


species: O Pb

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: F Ni

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sn

species_pp: O Sn


species: C Sc


species: Co Hf