Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

point_group_type_orig: centrosymmetric

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: hexagonal

crystal_class: dihexagonal-dipyramidal

point_group_type: centrosymmetric

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

aflow_prototype_params_list_relax: a c/a


Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

lattice_system_orig: cubic

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

Wyckoff_letters_orig: a c g g

crystal_class: tetrahedral

point_group_structure: symmetric

Wyckoff_letters: a c g g


Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT


Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

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

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

aflow_prototype_params_list_orig: a c/a x1

aflow_prototype_params_list_relax: a c/a x1


Egap_DOS_type: metal


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

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_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

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Bravais_lattice_orig: ORCF

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCF

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: ORCF

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: h h h h

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORCF

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCF

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: h h h h


sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


Egap_DOS_type: insulator

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic


sg2:
Cmcm #63
Cmcm #63
Cmcm #63


aflow_prototype_params_list_orig: a b/a c/a y1

aflow_prototype_params_list_relax: a b/a c/a y1


sg2:
Imma #74
Imma #74
Imma #74

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

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

aflow_prototype_params_list_orig: a b/a c/a z1

aflow_prototype_params_list_relax: a b/a c/a z1


aflow_prototype_params_list_relax: a c/a z1


Bravais_lattice_orig: MCLC

Bravais_lattice_relax: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type: MCLC

aflow_prototype_params_list_orig: a b/a c/a beta x1 z1

aflow_prototype_params_list_relax: a b/a c/a beta x1 z1


Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_type: MCLC


sg:
Cmce #64
Cmme #67
Cmme #67


Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: c d

crystal_class: gyroidal

point_group_Schoenflies: O

point_group_type: enantiomorphic

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

Wyckoff_letters: c d


Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


sg:
Cmce #64
Fmmm #69
I4/mmm #139

sg2:
Cmce #64
Ccce #68
Fmmm #69

aflow_prototype_params_list_relax: a b/a c/a x1


aflow_prototype_params_list_orig: a b/a c/a beta

aflow_prototype_params_list_relax: a b/a c/a beta


Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

point_group_structure_orig: cyclic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

aflow_prototype_params_list_orig: a b/a c/a alpha beta gamma x1 y1 z1

aflow_prototype_params_list_relax: a b/a c/a alpha beta gamma x1 y1 z1


Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET


crystal_class_orig: dihexagonal-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: a b


sg:
Cmce #64
Fmmm #69
Fmmm #69

sg2:
Cmce #64
Fmmm #69
Fmmm #69


aflow_prototype_params_list_orig: a c/a z1


crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

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

crystal_class: triclinic-pedial

point_group_structure: trivial


crystal_class: trigonal-trapezoidal


sg2:
Immm #71
Immm #71
Immm #71

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


sg2:
Fmmm #69
Fmmm #69
Fmmm #69


point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: a a

point_group_Schoenflies: T

point_group_structure: alternating

Wyckoff_letters: a a


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

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


Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

reciprocal_lattice_type: TRI


reciprocal_lattice_type_orig: MCLC

reciprocal_lattice_type: MCLC


reciprocal_lattice_type_orig: ORCF

reciprocal_lattice_type: ORCF


Wyckoff_letters_orig: b i

Wyckoff_letters: b i


reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL


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


aflow_prototype_params_list_orig: a b/a c/a beta y1

aflow_prototype_params_list_relax: a b/a c/a beta y1


sg2:
Cmce #64
Cmce #64
Fmmm #69


sg2:
Cmce #64
Cmce #64
P6/mmm #191


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


Wyckoff_letters_orig: c i k

Wyckoff_letters: c i k


sg:
Cmce #64
Cmce #64
Cmme #67


Wyckoff_letters_orig: a m m n n

Wyckoff_letters: a m m n n


crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b


Wyckoff_letters_orig: e e f f

Wyckoff_letters: e e f f


Wyckoff_letters_orig: h h

Wyckoff_site_symmetries_orig: .m .m

Wyckoff_letters: h h

Wyckoff_site_symmetries: .m .m


sg2:
Cmce #64
Fmmm #69
I4/mmm #139


aflow_prototype_params_list_orig: a b/a c/a alpha beta gamma

aflow_prototype_params_list_relax: a b/a c/a alpha beta gamma


sg:
Cmce #64
I4/mmm #139
Fmmm #69


Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

crystal_class_orig: monoclinic-sphenoidal

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC


crystal_class_orig: diploidal

Wyckoff_letters_orig: h i i

crystal_class: diploidal

Wyckoff_letters: h i i


sg:
Cmce #64
Ccce #68
Cmce #64


sg2:
Cmce #64
Fmmm #69
Cmce #64


Wyckoff_letters_orig: a e g

Wyckoff_letters: a e g


sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: g g h h

Wyckoff_letters: g g h h


Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m m m


Wyckoff_letters_orig: a c g g

Wyckoff_letters: a c g g


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: h h h h

Wyckoff_letters: h h h h


sg2:
Cmce #64
Cmme #67
P4/nmm #129


sg2:
Cmce #64
Cccm #66
I4/mmm #139


Wyckoff_letters_orig: i i

Wyckoff_letters: i i