Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_BeNbCrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14743521 _cell_length_b 4.14743521 _cell_length_c 4.14743521 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbCrNi _chemical_formula_sum 'Be1 Nb1 Cr1 Ni1' _cell_volume 50.44566279 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 4.39901934 4.39901934 4.39901934 1 Nb Nb2 1 2.93267956 2.93267956 2.93267956 1 Ni Ni3 1 1.46633978 1.46633978 1.46633978 1 [/CIF]
BeCrNbNi
F-43m
216
cubic
-43m
6,998.500432
false
[CIF] data_CsGdZr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50318462 _cell_length_b 5.50318462 _cell_length_c 5.50318462 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsGdZr2 _chemical_formula_sum 'Cs1 Gd1 Zr2' _cell_volume 117.84936622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.00000000 0.00000000 0.00000000 1 Gd Gd1 1 3.89133917 3.89133917 3.89133917 1 Zr Zr2 1 5.83700875 5.83700875 5.83700875 1 Zr Zr3 1 1.94566958 1.94566958 1.94566958 1 [/CIF]
CsGdZr2
Fm-3m
225
cubic
m-3m
6,659.149048
false
[CIF] data_TlReRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62479409 _cell_length_b 4.62479409 _cell_length_c 4.62479409 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlReRhAu _chemical_formula_sum 'Tl1 Re1 Rh1 Au1' _cell_volume 69.94589076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.90533489 4.90533489 4.90533489 1 Re Re1 1 1.63511163 1.63511163 1.63511163 1 Rh Rh2 1 0.00000000 -0.00000000 0.00000000 1 Tl Tl3 1 3.27022326 3.27022326 3.27022326 1 [/CIF]
AuReRhTl
F-43m
216
cubic
-43m
16,391.809802
false
[CIF] data_Ta2SnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55593864 _cell_length_b 3.55593864 _cell_length_c 6.57962631 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2SnSb _chemical_formula_sum 'Ta2 Sn1 Sb1' _cell_volume 83.19739825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 1.77796932 1.77796932 3.04118947 1 Sn Sn1 1 0.00000000 0.00000000 5.14956703 1 Ta Ta2 1 1.77796932 1.77796932 0.05345788 1 Ta Ta3 1 0.00000000 0.00000000 1.62522514 1 [/CIF]
SbSnTa2
P4mm
99
tetragonal
4mm
12,022.634096
false
[CIF] data_MgInFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36876589 _cell_length_b 5.36876589 _cell_length_c 5.36876589 _cell_angle_alpha 146.49730368 _cell_angle_beta 141.14981139 _cell_angle_gamma 52.21873606 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgInFe _chemical_formula_sum 'Mg1 In1 Fe1' _cell_volume 53.27815100 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 -0.00000000 0.03028826 1 In In1 1 -0.00000000 -0.00000000 3.33548414 1 Mg Mg2 1 0.00000000 0.00000000 6.27605475 1 [/CIF]
FeInMg
Imm2
44
orthorhombic
mm2
6,076.636945
false
[CIF] data_LiNi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31693781 _cell_length_b 4.31693781 _cell_length_c 4.31693781 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNi2Pb _chemical_formula_sum 'Li1 Ni2 Pb1' _cell_volume 56.88691457 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 4.57880400 4.57880400 4.57880400 1 Ni Ni2 1 1.52626800 1.52626800 1.52626800 1 Pb Pb3 1 3.05253600 3.05253600 3.05253600 1 [/CIF]
LiNi2Pb
Fm-3m
225
cubic
m-3m
9,677.354938
false
[CIF] data_Ta2AlSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50956951 _cell_length_b 4.50956951 _cell_length_c 4.50956951 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2AlSi _chemical_formula_sum 'Ta2 Al1 Si1' _cell_volume 64.84705511 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 3.18874718 3.18874718 3.18874718 1 Ta Ta2 1 1.59437359 1.59437359 1.59437359 1 Ta Ta3 1 4.78312077 4.78312077 4.78312077 1 [/CIF]
AlSiTa2
Fm-3m
225
cubic
m-3m
10,677.169769
false
[CIF] data_NaCoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54054023 _cell_length_b 7.32984066 _cell_length_c 2.66748767 _cell_angle_alpha 84.15500669 _cell_angle_beta 75.24058215 _cell_angle_gamma 20.60441116 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCoRh _chemical_formula_sum 'Na1 Co1 Rh1' _cell_volume 45.95102178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.41108248 2.26369978 14.21076936 1 Na Na1 1 1.41108248 2.26369978 9.59178947 1 Rh Rh2 1 1.41108248 2.26369978 4.96837396 1 [/CIF]
CoNaRh
Fmm2
42
orthorhombic
mm2
6,679.17434
false
[CIF] data_CuTcGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37770755 _cell_length_b 3.37770755 _cell_length_c 5.13715514 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTcGe2 _chemical_formula_sum 'Cu1 Tc1 Ge2' _cell_volume 58.60933188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 4.01789936 1 Ge Ge1 1 1.68885378 1.68885378 4.96538244 1 Ge Ge2 1 0.00000000 0.00000000 1.42684828 1 Tc Tc3 1 1.68885378 1.68885378 2.43275776 1 [/CIF]
CuGe2Tc
P4mm
99
tetragonal
4mm
8,718.811075
false
[CIF] data_BeNbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22374389 _cell_length_b 4.28386651 _cell_length_c 4.69284864 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbSe2 _chemical_formula_sum 'Be1 Nb1 Se2' _cell_volume 64.80865498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 2.14193326 2.34642432 1 Se Se2 1 1.61187195 2.14193326 0.00000000 1 Se Se3 1 1.61187195 0.00000000 2.34642432 1 [/CIF]
BeNbSe2
Pmmm
47
orthorhombic
mmm
6,657.63058
false
[CIF] data_ScGeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61478378 _cell_length_b 3.61478378 _cell_length_c 5.85804145 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGeAu2 _chemical_formula_sum 'Sc1 Ge1 Au2' _cell_volume 76.54504630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.80739189 1.80739189 1.42210060 1 Au Au1 1 1.80739189 1.80739189 4.43594085 1 Ge Ge2 1 0.00000000 0.00000000 2.92902073 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2GeSc
P4/mmm
123
tetragonal
4/mmm
11,096.916291
false
[CIF] data_Ba2NiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89252872 _cell_length_b 3.88932517 _cell_length_c 7.91528666 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.67807236 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NiMo _chemical_formula_sum 'Ba2 Ni1 Mo1' _cell_volume 119.70110089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.74198087 1.94466259 1.83241129 1 Ba Ba1 1 1.78071270 1.94466259 6.07423054 1 Mo Mo2 1 -0.18491757 0.00000000 3.95332091 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2MoNi
P2/m
10
monoclinic
2/m
5,955.515062
false
[CIF] data_GaPbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07767802 _cell_length_b 4.07767802 _cell_length_c 6.63001381 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaPbSe2 _chemical_formula_sum 'Ga1 Pb1 Se2' _cell_volume 110.24027640 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 2.20948161 1 Pb Pb1 1 2.03883901 2.03883901 5.54923351 1 Se Se2 1 0.00000000 0.00000000 6.29116229 1 Se Se3 1 2.03883901 2.03883901 2.52515705 1 [/CIF]
GaPbSe2
P4mm
99
tetragonal
4mm
6,549.999809
false
[CIF] data_KHfBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70084000 _cell_length_b 4.70084000 _cell_length_c 7.20759975 _cell_angle_alpha 98.95328425 _cell_angle_beta 98.95328425 _cell_angle_gamma 36.75329761 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfBe2 _chemical_formula_sum 'K1 Hf1 Be2' _cell_volume 94.01391755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.39931819 0.00000000 4.41410890 1 Be Be1 1 6.34093086 -0.00000000 2.69591205 1 Hf Hf2 1 3.87012452 0.00000000 3.55501047 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2HfK
C2/m
12
monoclinic
2/m
4,161.55441
false
[CIF] data_Zr4Ag3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48824728 _cell_length_b 5.48824728 _cell_length_c 5.53130981 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Ag3 _chemical_formula_sum 'Zr4 Ag3' _cell_volume 144.28658603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.74412364 0.00000000 2.76565490 1 Ag Ag1 1 -1.37206182 2.37648078 2.76565490 1 Ag Ag2 1 1.37206182 2.37648078 2.76565490 1 Zr Zr3 1 0.00000000 0.00000000 4.21603586 1 Zr Zr4 1 0.00000000 0.00000000 1.31527395 1 Zr Zr5 1 0.00000000 3.16864105 0.00000000 1 Zr Zr6 1 2.74412364 1.58432052 0.00000000 1 [/CIF]
Ag3Zr4
P6/mmm
191
hexagonal
6/mmm
7,923.689755
false
[CIF] data_GdDy2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20759113 _cell_length_b 5.20759113 _cell_length_c 5.20759113 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdDy2W _chemical_formula_sum 'Gd1 Dy2 W1' _cell_volume 99.86093715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 1.84116150 1.84116150 1.84116150 1 Dy Dy1 1 5.52348450 5.52348450 5.52348450 1 Gd Gd2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.68232300 3.68232300 3.68232300 1 [/CIF]
Dy2GdW
Fm-3m
225
cubic
m-3m
11,076.087392
false
[CIF] data_LiSc2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11644529 _cell_length_b 3.11644529 _cell_length_c 7.82206403 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSc2Fe _chemical_formula_sum 'Li1 Sc2 Fe1' _cell_volume 75.96969468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 3.91103202 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.55822265 1.55822265 2.41562788 1 Sc Sc3 1 1.55822265 1.55822265 5.40643615 1 [/CIF]
FeLiSc2
P4/mmm
123
tetragonal
4/mmm
3,337.655933
false
[CIF] data_SiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13038280 _cell_length_b 7.13038280 _cell_length_c 7.85086505 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 49.25766333 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBr2 _chemical_formula_sum 'Si2 Br4' _cell_volume 302.42183271 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 4.71088867 -1.14774519 5.88814879 1 Br Br1 1 8.25252543 1.14774519 1.96271626 1 Br Br2 1 8.25252543 -1.14774519 5.88814879 1 Br Br3 1 4.71088867 1.14774519 1.96271626 1 Si Si4 1 6.48170705 0.28357955 5.88814879 1 Si Si5 1 6.48170705 -0.28357955 1.96271626 1 [/CIF]
Br4Si2
Cmcm
63
orthorhombic
mmm
2,063.372835
false
[CIF] data_ScCdBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96656716 _cell_length_b 4.96656716 _cell_length_c 4.96656716 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCdBi _chemical_formula_sum 'Sc1 Cd1 Bi1' _cell_volume 86.62713286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.51189332 3.51189332 3.51189332 1 Cd Cd1 1 1.75594666 1.75594666 1.75594666 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCdSc
F-43m
216
cubic
-43m
7,022.442085
false
[CIF] data_SrSi2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16013532 _cell_length_b 6.16013532 _cell_length_c 6.16013532 _cell_angle_alpha 39.50238809 _cell_angle_beta 39.50238809 _cell_angle_gamma 39.50238809 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSi2Ru _chemical_formula_sum 'Sr1 Si2 Ru1' _cell_volume 85.14525533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 -0.00000000 -0.00000000 5.57064098 1 Si Si1 1 0.00000000 -0.00000000 16.51031540 1 Si Si2 1 0.00000000 -0.00000000 11.96902725 1 Sr Sr3 1 -0.00000000 -0.00000000 8.68558467 1 [/CIF]
RuSi2Sr
R3m
160
trigonal
3m
4,816.479331
false
[CIF] data_SiPPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18143545 _cell_length_b 5.91933328 _cell_length_c 2.90814745 _cell_angle_alpha 81.16868022 _cell_angle_beta 71.12839776 _cell_angle_gamma 27.70292201 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPPd _chemical_formula_sum 'Si1 P1 Pd1' _cell_volume 44.62358548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 1.62568198 2.41132322 11.26581113 1 Pd Pd1 1 1.62568198 2.41132322 7.67456494 1 Si Si2 1 1.62568198 2.41132322 3.82649973 1 [/CIF]
PPdSi
Fmm2
42
orthorhombic
mm2
6,157.837302
false
[CIF] data_AgBiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58069082 _cell_length_b 4.58069082 _cell_length_c 4.58069082 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBiRu _chemical_formula_sum 'Ag1 Bi1 Ru1' _cell_volume 67.96384489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 4.85855631 4.85855631 4.85855631 1 Bi Bi1 1 3.23903754 3.23903754 3.23903754 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBiRu
F-43m
216
cubic
-43m
10,210.872606
false
[CIF] data_NaZnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96766822 _cell_length_b 4.96766822 _cell_length_c 4.96766822 _cell_angle_alpha 131.69445682 _cell_angle_beta 131.69445682 _cell_angle_gamma 70.71202930 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZnP2 _chemical_formula_sum 'Na1 Zn1 P2' _cell_volume 66.95607164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 2.03262598 -0.00000000 2.02574621 1 P P2 1 -0.00000000 2.03262598 2.02574621 1 Zn Zn3 1 0.00000000 -0.00000000 4.05149241 1 [/CIF]
NaP2Zn
I4/mmm
139
tetragonal
4/mmm
3,727.932833
false
[CIF] data_LaCrCdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13560049 _cell_length_b 5.13560049 _cell_length_c 5.13560049 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrCdHg _chemical_formula_sum 'La1 Cr1 Cd1 Hg1' _cell_volume 95.77644133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.63141793 3.63141793 3.63141793 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 1.81570897 1.81570897 1.81570897 1 La La3 1 5.44712690 5.44712690 5.44712690 1 [/CIF]
CdCrHgLa
F-43m
216
cubic
-43m
8,736.489805
false
[CIF] data_Sb2MoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07308615 _cell_length_b 3.07308615 _cell_length_c 9.22786801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2MoPd _chemical_formula_sum 'Sb2 Mo1 Pd1' _cell_volume 87.14667984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 4.90709553 1 Pd Pd1 1 1.53654308 1.53654308 6.64778057 1 Sb Sb2 1 0.00000000 0.00000000 8.56470792 1 Sb Sb3 1 1.53654308 1.53654308 2.95008592 1 [/CIF]
MoPdSb2
P4mm
99
tetragonal
4mm
8,496.418089
false
[CIF] data_BTePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24897544 _cell_length_b 5.24897544 _cell_length_c 3.91910556 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.54899918 _symmetry_Int_Tables_number 1 _chemical_formula_structural BTePb2 _chemical_formula_sum 'B1 Te1 Pb2' _cell_volume 106.77845440 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 1.71230964 1.98895236 1.95955278 1 Pb Pb2 1 1.71230964 -1.98895236 1.95955278 1 Te Te3 1 3.42461927 -0.00000000 0.00000000 1 [/CIF]
BPb2Te
Cmmm
65
orthorhombic
mmm
8,596.905466
false
[CIF] data_CdSiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18894382 _cell_length_b 6.18894382 _cell_length_c 6.18894382 _cell_angle_alpha 147.35279639 _cell_angle_beta 147.35279639 _cell_angle_gamma 46.84169207 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSiSb _chemical_formula_sum 'Cd1 Si1 Sb1' _cell_volume 68.73409579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 -0.00000000 0.18370572 1 Sb Sb1 1 0.00000000 -0.00000000 3.49372504 1 Si Si2 1 0.00000000 0.00000000 7.68064358 1 [/CIF]
CdSbSi
I4mm
107
tetragonal
4mm
6,335.824437
false
[CIF] data_Sr2NiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37251226 _cell_length_b 3.37251226 _cell_length_c 9.37341865 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2NiMo _chemical_formula_sum 'Sr2 Ni1 Mo1' _cell_volume 106.61175408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.68625613 1.68625613 5.44789025 1 Ni Ni1 1 0.00000000 0.00000000 6.35025061 1 Sr Sr2 1 1.68625613 1.68625613 8.64243213 1 Sr Sr3 1 0.00000000 0.00000000 2.99297372 1 [/CIF]
MoNiSr2
P4mm
99
tetragonal
4mm
5,138.286082
false
[CIF] data_AlHg2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91487179 _cell_length_b 2.91487179 _cell_length_c 9.13006318 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHg2Mo _chemical_formula_sum 'Al1 Hg2 Mo1' _cell_volume 77.57337686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 6.57805084 1 Hg Hg1 1 1.45743589 1.45743589 8.92680104 1 Hg Hg2 1 0.00000000 0.00000000 2.54720856 1 Mo Mo3 1 1.45743589 1.45743589 4.77309751 1 [/CIF]
AlHg2Mo
P4mm
99
tetragonal
4mm
11,219.368368
false
[CIF] data_SbAs2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32709497 _cell_length_b 3.32709497 _cell_length_c 7.28455121 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbAs2Pd _chemical_formula_sum 'Sb1 As2 Pd1' _cell_volume 80.63678354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.66354749 1.66354749 5.86193081 1 As As1 1 1.66354749 1.66354749 1.42262040 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 3.64227561 1 [/CIF]
As2PdSb
P4/mmm
123
tetragonal
4/mmm
7,784.56511
false
[CIF] data_AlTeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91385088 _cell_length_b 4.91385088 _cell_length_c 4.91385088 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTeAu2 _chemical_formula_sum 'Al1 Te1 Au2' _cell_volume 83.89786730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 -0.00000000 0.00000000 1 Au Au1 1 3.47461728 3.47461728 3.47461728 1 Au Au2 1 1.73730864 1.73730864 1.73730864 1 Te Te3 1 5.21192592 5.21192592 5.21192592 1 [/CIF]
AlAu2Te
F-43m
216
cubic
-43m
10,856.41481
false
[CIF] data_Sc3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60064325 _cell_length_b 4.63535838 _cell_length_c 4.72849951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Ni _chemical_formula_sum 'Sc3 Ni1' _cell_volume 78.91994232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 1.80032163 2.31767919 4.56331146 1 Sc Sc1 1 1.80032163 0.00000000 1.75109638 1 Sc Sc2 1 0.00000000 2.31767919 2.07851665 1 Sc Sc3 1 0.00000000 0.00000000 4.21640755 1 [/CIF]
NiSc3
Pmm2
25
orthorhombic
mm2
4,072.681994
false
[CIF] data_Al4In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86214347 _cell_length_b 6.86214347 _cell_length_c 6.86214347 _cell_angle_alpha 145.63409390 _cell_angle_beta 145.63409390 _cell_angle_gamma 49.39057757 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al4In _chemical_formula_sum 'Al4 In1' _cell_volume 102.48862072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.02724062 -0.00000000 3.11727461 1 Al Al1 1 -0.00000000 2.02724062 3.11727461 1 Al Al2 1 0.00000000 0.00000000 7.54451330 1 Al Al3 1 -0.00000000 0.00000000 4.92458514 1 In In4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al4In
I4/mmm
139
tetragonal
4/mmm
3,608.940852
false
[CIF] data_YBi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82444736 _cell_length_b 4.82444736 _cell_length_c 4.21530148 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBi2Pt _chemical_formula_sum 'Y1 Bi2 Pt1' _cell_volume 98.11237420 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 2.41222368 2.10765074 1 Bi Bi1 1 2.41222368 0.00000000 2.10765074 1 Pt Pt2 1 2.41222368 2.41222368 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2PtY
P4/mmm
123
tetragonal
4/mmm
11,880.422695
false
[CIF] data_Mg2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28636775 _cell_length_b 6.99237323 _cell_length_c 2.71834224 _cell_angle_alpha 85.18416071 _cell_angle_beta 72.99192888 _cell_angle_gamma 21.82391041 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Cd _chemical_formula_sum 'Mg2 Cd1' _cell_volume 41.82229108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 1.26323253 2.40699566 4.55800212 1 Mg Mg2 1 1.26323253 2.40699566 9.19663738 1 [/CIF]
CdMg2
Fmmm
69
orthorhombic
mmm
6,393.28105
false
[CIF] data_CdRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33618958 _cell_length_b 7.33618958 _cell_length_c 4.65784013 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 157.45039924 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdRh2 _chemical_formula_sum 'Cd2 Rh4' _cell_volume 96.13286508 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.43433390 5.66209732 1.16446003 1 Cd Cd1 1 1.43433389 -5.66209732 3.49338010 1 Rh Rh2 1 1.43433389 0.90196840 1.16446003 1 Rh Rh3 1 1.43433390 3.99507431 3.49338010 1 Rh Rh4 1 1.43433389 -3.99507431 1.16446003 1 Rh Rh5 1 1.43433389 -0.90196840 3.49338010 1 [/CIF]
Cd2Rh4
Cmcm
63
orthorhombic
mmm
10,993.536132
false
[CIF] data_Ca2PI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20792600 _cell_length_b 4.25899410 _cell_length_c 7.95166961 _cell_angle_alpha 85.60388989 _cell_angle_beta 87.89100626 _cell_angle_gamma 60.43657704 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2PI _chemical_formula_sum 'Ca2 P1 I1' _cell_volume 123.58848270 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 4.33251661 2.79485467 2.51959628 1 Ca Ca1 1 2.22120936 1.60430868 5.42793149 1 P P2 1 4.32740798 0.35483353 3.96430149 1 I I3 1 2.46895136 3.99190633 7.90884574 1 [/CIF]
Ca2IP
P1
1
triclinic
1
3,198.236056
false
[CIF] data_Be2IrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84658485 _cell_length_b 2.84658485 _cell_length_c 5.68870903 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2IrPt _chemical_formula_sum 'Be2 Ir1 Pt1' _cell_volume 46.09586702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.15881550 1 Be Be1 1 1.42329243 1.42329243 1.31504669 1 Ir Ir2 1 0.00000000 0.00000000 2.47525230 1 Pt Pt3 1 1.42329243 1.42329243 4.58394899 1 [/CIF]
Be2IrPt
P4mm
99
tetragonal
4mm
14,601.278709
false
[CIF] data_CuO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93864553 _cell_length_b 2.93864553 _cell_length_c 5.12598427 _cell_angle_alpha 94.24435098 _cell_angle_beta 94.24435098 _cell_angle_gamma 83.99608221 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuO _chemical_formula_sum 'Cu2 O2' _cell_volume 43.80448307 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.83671140 -0.98313150 2.55025103 1 Cu Cu1 1 1.09195322 0.98313150 0.00000000 1 O O2 1 1.80104372 0.10432205 3.82537654 1 O O3 1 2.05628554 -0.10432205 1.27512551 1 [/CIF]
Cu2O2
C2/c
15
monoclinic
2/m
6,030.809406
false
[CIF] data_NaReGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36943431 _cell_length_b 4.36943431 _cell_length_c 4.36943431 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaReGe _chemical_formula_sum 'Na1 Re1 Ge1' _cell_volume 58.98758900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 3.08965663 3.08965663 3.08965663 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.54482832 1.54482831 1.54482831 1 [/CIF]
GeNaRe
F-43m
216
cubic
-43m
7,933.8887
false
[CIF] data_KZrNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89894865 _cell_length_b 4.89894865 _cell_length_c 4.89894865 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrNb _chemical_formula_sum 'K1 Zr1 Nb1' _cell_volume 83.13686880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 5.19611972 5.19611972 5.19611972 1 Zr Zr2 1 1.73203990 1.73203991 1.73203991 1 [/CIF]
KNbZr
F-43m
216
cubic
-43m
4,458.670975
false
[CIF] data_CoTc2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60454285 _cell_length_b 4.60454285 _cell_length_c 4.60454285 _cell_angle_alpha 128.02669837 _cell_angle_beta 128.02669837 _cell_angle_gamma 76.58178181 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTc2Br _chemical_formula_sum 'Co1 Tc2 Br1' _cell_volume 58.84219528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 2.01753445 1.80699505 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 2.01753445 -0.00000000 1.80699505 1 Tc Tc3 1 0.00000000 -0.00000000 3.61399009 1 [/CIF]
BrCoTc2
I-4m2
119
tetragonal
-42m
9,500.322032
false
[CIF] data_ZnGeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36759238 _cell_length_b 4.36759238 _cell_length_c 4.36759238 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGeP _chemical_formula_sum 'Zn1 Ge1 P1' _cell_volume 58.91302206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.54417709 1.54417710 1.54417709 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 4.63253128 4.63253128 4.63253128 1 [/CIF]
GePZn
F-43m
216
cubic
-43m
4,763.30587
false
[CIF] data_Li3TiS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96171316 _cell_length_b 6.96171316 _cell_length_c 5.91519397 _cell_angle_alpha 106.24171826 _cell_angle_beta 106.24171826 _cell_angle_gamma 113.23680705 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3TiS3 _chemical_formula_sum 'Li6 Ti2 S6' _cell_volume 226.85360637 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 4.55897723 -2.64579751 1.02305632 1 Li Li1 1 3.07870250 0.44468670 1.27348450 1 Li Li2 1 3.05553823 2.64579751 3.57002532 1 Li Li3 1 1.59842777 -2.64579751 1.52391268 1 Li Li4 1 1.57526350 -0.44468670 3.82045350 1 Li Li5 1 0.09498877 2.64579751 4.07088168 1 Ti Ti6 1 -1.50343900 0.00000000 2.54696900 1 Ti Ti7 1 0.00000000 0.00000000 0.00000000 1 S S8 1 -0.74358031 -1.08493533 4.71050200 1 S S9 1 3.07870250 3.76166488 1.27348450 1 S S10 1 5.39754631 1.08493533 0.38343600 1 S S11 1 1.57526350 -3.76166488 3.82045350 1 S S12 1 0.75985869 1.08493533 2.16353300 1 S S13 1 3.89410731 -1.08493533 2.93040500 1 [/CIF]
Li6S6Ti2
C2/c
15
monoclinic
2/m
2,413.873761
false
[CIF] data_EuGdEr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70398401 _cell_length_b 5.70398401 _cell_length_c 5.70398401 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuGdEr2 _chemical_formula_sum 'Eu1 Gd1 Er2' _cell_volume 131.22600251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 6.04998866 6.04998866 6.04998866 1 Er Er1 1 2.01666289 2.01666289 2.01666289 1 Eu Eu2 1 0.00000000 0.00000000 0.00000000 1 Gd Gd3 1 4.03332577 4.03332577 4.03332577 1 [/CIF]
Er2EuGd
Fm-3m
225
cubic
m-3m
8,145.810388
false
[CIF] data_Tc2GeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05917763 _cell_length_b 3.05917763 _cell_length_c 7.97984663 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2GeTe _chemical_formula_sum 'Tc2 Ge1 Te1' _cell_volume 74.67993550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 6.55508691 1 Tc Tc1 1 1.52958882 1.52958882 0.11008573 1 Tc Tc2 1 0.00000000 0.00000000 1.79189275 1 Te Te3 1 1.52958882 1.52958882 3.51270455 1 [/CIF]
GeTc2Te
P4mm
99
tetragonal
4mm
8,850.858753
false
[CIF] data_BaTlCdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48835312 _cell_length_b 5.48835312 _cell_length_c 5.48835312 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTlCdAu _chemical_formula_sum 'Ba1 Tl1 Cd1 Au1' _cell_volume 116.89909279 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.82127756 5.82127757 5.82127757 1 Ba Ba1 1 3.88085171 3.88085171 3.88085171 1 Cd Cd2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 1.94042585 1.94042585 1.94042585 1 [/CIF]
AuBaCdTl
F-43m
216
cubic
-43m
9,248.6333
false
[CIF] data_SrHgSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10122084 _cell_length_b 5.10122084 _cell_length_c 3.89329897 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHgSe2 _chemical_formula_sum 'Sr1 Hg1 Se2' _cell_volume 101.31319358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 2.55061042 2.55061042 0.00000000 1 Se Se1 1 2.55061042 0.00000000 1.94664949 1 Se Se2 1 0.00000000 2.55061042 1.94664949 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgSe2Sr
P4/mmm
123
tetragonal
4/mmm
7,312.14038
false
[CIF] data_NbBSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20485511 _cell_length_b 3.20485511 _cell_length_c 5.59196978 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbBSe _chemical_formula_sum 'Nb1 B1 Se1' _cell_volume 49.74074053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.30991843 1 Nb Nb1 1 1.60242755 0.92516198 1.72411098 1 Se Se2 1 -0.00000000 1.85032396 3.55794032 1 [/CIF]
BNbSe
P3m1
156
trigonal
3m
6,098.480305
false
[CIF] data_Ba2TePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20816199 _cell_length_b 4.20816199 _cell_length_c 8.36296931 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TePb _chemical_formula_sum 'Ba2 Te1 Pb1' _cell_volume 148.09670692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.10408099 2.10408099 8.04168527 1 Ba Ba1 1 0.00000000 0.00000000 2.28308861 1 Pb Pb2 1 2.10408099 2.10408099 4.21566930 1 Te Te3 1 0.00000000 0.00000000 6.36698001 1 [/CIF]
Ba2PbTe
P4mm
99
tetragonal
4mm
6,833.522482
false
[CIF] data_LiTlAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90418692 _cell_length_b 9.90418692 _cell_length_c 9.90418692 _cell_angle_alpha 17.83465962 _cell_angle_beta 17.83465962 _cell_angle_gamma 17.83465962 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTlAu2 _chemical_formula_sum 'Li1 Tl1 Au2' _cell_volume 79.55938259 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 21.54727293 1 Au Au1 1 -0.00000000 0.00000000 7.68546080 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 -0.00000000 -0.00000000 14.61636687 1 [/CIF]
Au2LiTl
R-3m
166
trigonal
-3m
12,632.747875
false
[CIF] data_Zn2RePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26224588 _cell_length_b 5.25712576 _cell_length_c 5.25712576 _cell_angle_alpha 29.39752890 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2RePd _chemical_formula_sum 'Zn2 Re1 Pd1' _cell_volume 57.82269657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 -0.00000000 9.46171802 1 Re Re1 1 2.13112294 0.00000000 5.93225727 1 Zn Zn2 1 0.00000000 0.00000000 1.87417377 1 Zn Zn3 1 2.13112294 0.00000000 3.29837320 1 [/CIF]
PdReZn2
Amm2
38
orthorhombic
mm2
12,158.942763
false
[CIF] data_MoPdPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64135873 _cell_length_b 4.64135873 _cell_length_c 4.64135873 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPdPtPb _chemical_formula_sum 'Mo1 Pd1 Pt1 Pb1' _cell_volume 70.70016222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 -0.00000000 -0.00000000 0.00000000 1 Pb Pb1 1 4.92290435 4.92290435 4.92290435 1 Pd Pd2 1 1.64096811 1.64096811 1.64096811 1 Pt Pt3 1 3.28193623 3.28193623 3.28193623 1 [/CIF]
MoPbPdPt
F-43m
216
cubic
-43m
14,201.780628
false
[CIF] data_MnAlPbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88880420 _cell_length_b 4.88880420 _cell_length_c 4.88880420 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAlPbAu _chemical_formula_sum 'Mn1 Al1 Pb1 Au1' _cell_volume 82.62147291 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Au Au1 1 3.45690660 3.45690660 3.45690660 1 Mn Mn2 1 5.18535990 5.18535990 5.18535990 1 Pb Pb3 1 1.72845330 1.72845330 1.72845330 1 [/CIF]
AlAuMnPb
F-43m
216
cubic
-43m
9,769.434236
false
[CIF] data_CaMg2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17156908 _cell_length_b 5.17156908 _cell_length_c 5.17156908 _cell_angle_alpha 128.88435632 _cell_angle_beta 128.88435632 _cell_angle_gamma 75.19672058 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg2Pt _chemical_formula_sum 'Ca1 Mg2 Pt1' _cell_volume 81.58768360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 2.23112738 -0.00000000 2.04873546 1 Mg Mg2 1 -0.00000000 2.23112738 2.04873546 1 Pt Pt3 1 0.00000000 -0.00000000 4.09747092 1 [/CIF]
CaMg2Pt
I4/mmm
139
tetragonal
4/mmm
5,775.559143
false
[CIF] data_InCu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06891598 _cell_length_b 6.06891598 _cell_length_c 6.06891598 _cell_angle_alpha 143.73668803 _cell_angle_beta 143.73668803 _cell_angle_gamma 52.22121803 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCu2Br _chemical_formula_sum 'In1 Cu2 Br1' _cell_volume 77.75478410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 5.44955944 1 Cu Cu1 1 0.00000000 1.88865602 2.72477972 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 In In3 1 1.88865602 -0.00000000 2.72477972 1 [/CIF]
BrCu2In
I-4m2
119
tetragonal
-42m
6,872.69247
false
[CIF] data_Be2TlBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21279152 _cell_length_b 3.21279152 _cell_length_c 8.08797632 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2TlBi _chemical_formula_sum 'Be2 Tl1 Bi1' _cell_volume 83.48432897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.60639576 1.60639576 0.69732510 1 Be Be1 1 0.00000000 0.00000000 1.38826911 1 Bi Bi2 1 1.60639576 1.60639576 3.34449176 1 Tl Tl3 1 0.00000000 0.00000000 6.70187859 1 [/CIF]
Be2BiTl
P4mm
99
tetragonal
4mm
8,581.276799
false
[CIF] data_Al2CdBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10747948 _cell_length_b 5.10747948 _cell_length_c 3.60737067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CdBi _chemical_formula_sum 'Al2 Cd1 Bi1' _cell_volume 94.10312175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 2.55373974 1.80368533 1 Al Al1 1 2.55373974 0.00000000 1.80368533 1 Bi Bi2 1 2.55373974 2.55373974 0.00000000 1 Cd Cd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2BiCd
P4/mmm
123
tetragonal
4/mmm
6,623.486677
false
[CIF] data_CrInRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76371385 _cell_length_b 5.76371385 _cell_length_c 5.76371385 _cell_angle_alpha 149.86474662 _cell_angle_beta 149.86474662 _cell_angle_gamma 43.13997626 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrInRe _chemical_formula_sum 'Cr1 In1 Re1' _cell_volume 48.13326797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 -0.00000000 0.00000000 0.22556144 1 In In1 1 -0.00000000 0.00000000 3.61008555 1 Re Re2 1 -0.00000000 -0.00000000 6.88450555 1 [/CIF]
CrInRe
I4mm
107
tetragonal
4mm
12,178.797587
false
[CIF] data_HgPt2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03053330 _cell_length_b 3.03053330 _cell_length_c 7.82891880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgPt2Cl _chemical_formula_sum 'Hg1 Pt2 Cl1' _cell_volume 71.90182432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.00000000 0.00000000 3.91445940 1 Pt Pt2 1 1.51526665 1.51526665 5.84853460 1 Pt Pt3 1 1.51526665 1.51526665 1.98038420 1 [/CIF]
ClHgPt2
P4/mmm
123
tetragonal
4/mmm
14,462.050709
false
[CIF] data_SrSnBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90626429 _cell_length_b 3.90626429 _cell_length_c 8.69884821 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSnBi2 _chemical_formula_sum 'Sr1 Sn1 Bi2' _cell_volume 132.73486107 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.95313215 1.95313215 2.37735868 1 Bi Bi1 1 1.95313215 1.95313215 6.32148953 1 Sn Sn2 1 0.00000000 0.00000000 4.34942410 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2SnSr
P4/mmm
123
tetragonal
4/mmm
7,809.99998
false
[CIF] data_FeP2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82044497 _cell_length_b 2.82044497 _cell_length_c 7.36527698 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeP2Pd _chemical_formula_sum 'Fe1 P2 Pd1' _cell_volume 58.59011426 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 5.68782020 1 P P1 1 1.41022249 1.41022249 6.77711888 1 P P2 1 0.00000000 0.00000000 2.24694147 1 Pd Pd3 1 1.41022249 1.41022249 3.70131190 1 [/CIF]
FeP2Pd
P4mm
99
tetragonal
4mm
6,354.595203
false
[CIF] data_MgZr2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.20283635 _cell_length_b 11.20283635 _cell_length_c 11.20283635 _cell_angle_alpha 17.35350584 _cell_angle_beta 17.35350584 _cell_angle_gamma 17.35350584 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZr2Pb _chemical_formula_sum 'Mg1 Zr2 Pb1' _cell_volume 109.15155971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 0.00000000 0.00000000 16.54732887 1 Zr Zr2 1 0.00000000 0.00000000 24.82193452 1 Zr Zr3 1 -0.00000000 0.00000000 8.27272322 1 [/CIF]
MgPbZr2
R-3m
166
trigonal
-3m
6,297.529144
false
[CIF] data_FeTcNiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25913482 _cell_length_b 4.25913482 _cell_length_c 4.25913482 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeTcNiW _chemical_formula_sum 'Fe1 Tc1 Ni1 W1' _cell_volume 54.63225962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 1.50583156 1.50583156 1.50583156 1 Tc Tc2 1 4.51749467 4.51749467 4.51749467 1 W W3 1 3.01166311 3.01166311 3.01166311 1 [/CIF]
FeNiTcW
F-43m
216
cubic
-43m
12,075.403863
false
[CIF] data_CdSn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10381428 _cell_length_b 5.10381428 _cell_length_c 5.10381428 _cell_angle_alpha 123.75053986 _cell_angle_beta 123.75053986 _cell_angle_gamma 83.61803405 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSn2Pt _chemical_formula_sum 'Cd1 Sn2 Pt1' _cell_volume 88.08107634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 0.00000000 0.00000000 3.80423563 1 Sn Sn2 1 -0.00000000 2.40590019 1.90211782 1 Sn Sn3 1 2.40590019 -0.00000000 1.90211782 1 [/CIF]
CdPtSn2
I4/mmm
139
tetragonal
4/mmm
10,272.951729
false
[CIF] data_LaYCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39299613 _cell_length_b 6.39299613 _cell_length_c 5.40986820 _cell_angle_alpha 113.14569711 _cell_angle_beta 113.14569711 _cell_angle_gamma 33.96816959 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYCd2 _chemical_formula_sum 'La1 Y1 Cd2' _cell_volume 112.62151412 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 9.76283762 0.00000000 4.91974235 1 Cd Cd1 1 1.65840883 -0.00000000 3.73121927 1 La La2 1 5.09061621 -0.00000000 2.57022552 1 Y Y3 1 8.50041228 -0.00000000 1.10840607 1 [/CIF]
Cd2LaY
Cm
8
monoclinic
m
6,673.816424
false
[CIF] data_Ca2MnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31964652 _cell_length_b 4.31964652 _cell_length_c 8.20141363 _cell_angle_alpha 104.02440832 _cell_angle_beta 104.02440832 _cell_angle_gamma 58.20910297 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2MnTe _chemical_formula_sum 'Ca2 Mn1 Te1' _cell_volume 124.97127060 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 5.11873817 -0.00000000 2.01927466 1 Ca Ca1 1 0.15499131 -0.00000000 5.86037478 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 2.63686474 -0.00000000 3.93982472 1 [/CIF]
Ca2MnTe
C2/m
12
monoclinic
2/m
3,490.512037
false
[CIF] data_HfCoBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39548972 _cell_length_b 5.39548972 _cell_length_c 5.39548972 _cell_angle_alpha 145.33325056 _cell_angle_beta 117.14007470 _cell_angle_gamma 73.82084523 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoBr2 _chemical_formula_sum 'Hf1 Co1 Br2' _cell_volume 78.04503734 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 -0.00000000 2.81351007 2.26488550 1 Br Br1 1 1.60748349 0.00000000 2.04921548 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Hf Hf3 1 0.00000000 -0.00000000 4.31410098 1 [/CIF]
Br2CoHf
Immm
71
orthorhombic
mmm
8,451.75991
false
[CIF] data_FeNiRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06948599 _cell_length_b 3.06948599 _cell_length_c 5.56074607 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNiRh2 _chemical_formula_sum 'Fe1 Ni1 Rh2' _cell_volume 52.39192727 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 0.00000000 0.00000000 2.78037304 1 Rh Rh2 1 1.53474300 1.53474300 4.14576357 1 Rh Rh3 1 1.53474300 1.53474300 1.41498250 1 [/CIF]
FeNiRh2
P4/mmm
123
tetragonal
4/mmm
10,153.333183
false
[CIF] data_BP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95845237 _cell_length_b 4.95845237 _cell_length_c 7.18733319 _cell_angle_alpha 122.54716252 _cell_angle_beta 122.54716252 _cell_angle_gamma 35.11957575 _symmetry_Int_Tables_number 1 _chemical_formula_structural BP _chemical_formula_sum 'B3 P3' _cell_volume 83.92687544 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 -0.12473812 -0.00000000 1.70321019 1 B B1 1 5.00058109 -0.00000000 1.09500698 1 B B2 1 3.12012271 -0.00000000 1.34233001 1 P P3 1 0.20368098 -0.00000000 3.62240954 1 P P4 1 -1.88622811 -0.00000000 2.77934782 1 P P5 1 6.73649118 -0.00000000 0.33615337 1 [/CIF]
B3P3
Cm
8
monoclinic
m
2,480.20301
false
[CIF] data_BaMgAg4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82956026 _cell_length_b 5.82956026 _cell_length_c 5.82956026 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgAg4 _chemical_formula_sum 'Ba1 Mg1 Ag4' _cell_volume 140.08524359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 5.16526224 5.16526224 3.07898094 1 Ag Ag1 1 5.16526224 3.07898094 5.16526224 1 Ag Ag2 1 3.07898094 5.16526224 5.16526224 1 Ag Ag3 1 3.07898094 3.07898094 3.07898094 1 Ba Ba4 1 6.18318239 6.18318239 6.18318239 1 Mg Mg5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag4BaMg
F-43m
216
cubic
-43m
7,030.531309
false
[CIF] data_HfCuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59447464 _cell_length_b 4.59447464 _cell_length_c 3.24142496 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCuBr _chemical_formula_sum 'Hf1 Cu1 Br1' _cell_volume 59.25681710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 -0.00000002 2.65262118 2.72629988 1 Cu Cu1 1 0.00000000 0.00000000 1.08870635 1 Hf Hf2 1 2.29723729 1.32631060 2.66784366 1 [/CIF]
BrCuHf
P3m1
156
trigonal
3m
9,021.644646
false
[CIF] data_HfRe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04019940 _cell_length_b 5.04019940 _cell_length_c 5.04019940 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfRe4 _chemical_formula_sum 'Hf1 Re4' _cell_volume 98.56466814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 1.45498024 -1.45498024 1.45498024 1 Re Re2 1 1.45498024 1.45498024 1.45498024 1 Re Re3 1 1.45498024 1.45498024 -1.45498024 1 Re Re4 1 -1.45498024 1.45498024 1.45498024 1 [/CIF]
HfRe4
Im-3m
229
cubic
m-3m
15,555.326658
false
[CIF] data_Tc2NiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28319506 _cell_length_b 4.28319506 _cell_length_c 4.28319506 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2NiOs _chemical_formula_sum 'Tc2 Ni1 Os1' _cell_volume 55.56336765 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 3.02867627 3.02867627 3.02867627 1 Tc Tc2 1 1.51433814 1.51433814 1.51433814 1 Tc Tc3 1 4.54301441 4.54301441 4.54301441 1 [/CIF]
NiOsTc2
Fm-3m
225
cubic
m-3m
13,350.923093
false
[CIF] data_BSb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07387083 _cell_length_b 5.07387083 _cell_length_c 5.07387083 _cell_angle_alpha 111.38641941 _cell_angle_beta 111.38641941 _cell_angle_gamma 105.70520029 _symmetry_Int_Tables_number 1 _chemical_formula_structural BSb2Br _chemical_formula_sum 'B1 Sb2 Br1' _cell_volume 100.23025189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Br Br1 1 0.00000000 -0.00000000 3.06394625 1 Sb Sb2 1 2.85975511 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 2.85975511 -0.00000000 1 [/CIF]
BBrSb2
I4/mmm
139
tetragonal
4/mmm
5,537.894112
false
[CIF] data_BaB4Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49501941 _cell_length_b 5.49501941 _cell_length_c 5.49501941 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaB4Br _chemical_formula_sum 'Ba1 B4 Br1' _cell_volume 117.32557611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.34645050 1.34645050 2.53911499 1 B B1 1 1.34645050 2.53911499 1.34645050 1 B B2 1 2.53911499 1.34645050 1.34645050 1 B B3 1 2.53911499 2.53911499 2.53911499 1 Ba Ba4 1 5.82834823 5.82834823 5.82834824 1 Br Br5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B4BaBr
F-43m
216
cubic
-43m
3,686.569695
false
[CIF] data_ScCrGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51485674 _cell_length_b 4.51485674 _cell_length_c 4.51485674 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCrGe _chemical_formula_sum 'Sc1 Cr1 Ge1' _cell_volume 65.07541202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 4.78872873 4.78872873 4.78872873 1 Ge Ge1 1 1.59624291 1.59624291 1.59624291 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrGeSc
F-43m
216
cubic
-43m
4,327.504853
false
[CIF] data_BMo2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21337675 _cell_length_b 4.21337675 _cell_length_c 4.21337675 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BMo2As _chemical_formula_sum 'B1 Mo2 As1' _cell_volume 52.89028227 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.97930727 2.97930727 2.97930727 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.46896091 4.46896091 4.46896091 1 Mo Mo3 1 1.48965364 1.48965364 1.48965364 1 [/CIF]
AsBMo2
Fm-3m
225
cubic
m-3m
8,717.173017
false
[CIF] data_NbZn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74189691 _cell_length_b 4.18398560 _cell_length_c 5.55660594 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.88756497 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZn2Pd _chemical_formula_sum 'Nb1 Zn2 Pd1' _cell_volume 61.88232485 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.81141516 0.00000000 2.65408332 1 Pd Pd1 1 -0.46196269 2.09199280 4.09805330 1 Zn Zn2 1 1.04873137 0.00000000 5.39259255 1 Zn Zn3 1 2.12235372 2.09199280 1.34071720 1 [/CIF]
NbPdZn2
Pm
6
monoclinic
m
8,857.477974
false
[CIF] data_ScReAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17341228 _cell_length_b 4.17341228 _cell_length_c 3.99869427 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScReAu2 _chemical_formula_sum 'Sc1 Re1 Au2' _cell_volume 69.64673785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 2.08670614 1.99934714 1 Au Au1 1 2.08670614 0.00000000 1.99934714 1 Re Re2 1 2.08670614 2.08670614 0.00000000 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2ReSc
P4/mmm
123
tetragonal
4/mmm
14,903.733375
false
[CIF] data_BeNbPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80872748 _cell_length_b 2.80872748 _cell_length_c 7.03040388 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbPd2 _chemical_formula_sum 'Be1 Nb1 Pd2' _cell_volume 55.46250509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 3.51520194 1 Pd Pd2 1 1.40436374 1.40436374 5.59974861 1 Pd Pd3 1 1.40436374 1.40436374 1.43065527 1 [/CIF]
BeNbPd2
P4/mmm
123
tetragonal
4/mmm
9,423.824039
false
[CIF] data_MnRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38658857 _cell_length_b 4.38658857 _cell_length_c 2.76382311 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnRuAu _chemical_formula_sum 'Mn1 Ru1 Au1' _cell_volume 46.05689775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.19329431 1.26629903 0.16708679 1 Mn Mn1 1 0.00000000 0.00000000 0.93518916 1 Ru Ru2 1 0.00000002 2.53259808 1.66154716 1 [/CIF]
AuMnRu
P3m1
156
trigonal
3m
12,726.17489
false
[CIF] data_CsCdP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50287183 _cell_length_b 5.50287183 _cell_length_c 5.50287183 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsCdP3 _chemical_formula_sum 'Cs1 Cd1 P3' _cell_volume 166.63575468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 2.75143592 2.75143592 2.75143592 1 P P1 1 2.75143592 0.00000000 2.75143592 1 P P2 1 2.75143592 2.75143592 0.00000000 1 P P3 1 0.00000000 2.75143592 2.75143592 1 Cd Cd4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCsP3
Pm-3m
221
cubic
m-3m
3,370.567011
false
[CIF] data_BaZrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29725839 _cell_length_b 7.29725839 _cell_length_c 7.29725839 _cell_angle_alpha 152.35916868 _cell_angle_beta 152.35916868 _cell_angle_gamma 39.48902761 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrRe _chemical_formula_sum 'Ba1 Zr1 Re1' _cell_volume 83.48003534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 13.40893614 1 Re Re1 1 -0.00000000 0.00000000 4.21665264 1 Zr Zr2 1 -0.00000000 0.00000000 9.84737369 1 [/CIF]
BaReZr
I4mm
107
tetragonal
4mm
8,250.138604
false
[CIF] data_Ce3TiAlS7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.07569613 _cell_length_b 10.07569613 _cell_length_c 6.11129200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3TiAlS7 _chemical_formula_sum 'Ce6 Ti2 Al2 S14' _cell_volume 537.29622506 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 -0.46059030 3.21286026 1.44909123 1 Ce Ce1 1 -2.02513432 7.51826158 1.44909123 1 Ce Ce2 1 2.48572461 6.72049578 1.44909123 1 Ce Ce3 1 5.49843836 5.51294855 4.50473723 1 Ce Ce4 1 7.06298238 1.20754723 4.50473723 1 Ce Ce5 1 2.55212345 2.00531303 4.50473723 1 Ti Ti6 1 0.00000000 0.00000000 0.26468617 1 Ti Ti7 1 0.00000000 0.00000000 3.32033217 1 Al Al8 1 0.00000000 5.81720587 4.04664089 1 Al Al9 1 5.03784807 2.90860294 0.99099489 1 S S10 1 -0.26763568 1.99647378 4.85992552 1 S S11 1 -3.17503321 7.95935122 4.85992552 1 S S12 1 3.44266889 7.49579262 4.85992552 1 S S13 1 5.30548374 6.72933503 1.80427952 1 S S14 1 8.21288128 0.76645759 1.80427952 1 S S15 1 1.59517917 1.23001619 1.80427952 1 S S16 1 1.62035834 4.50311943 3.12725201 1 S S17 1 -1.94821141 5.07097761 3.12725201 1 S S18 1 0.32785308 7.87752058 3.12725201 1 S S19 1 3.41748973 4.22268938 0.07160601 1 S S20 1 6.98605948 3.65483120 0.07160601 1 S S21 1 4.70999499 0.84828823 0.07160601 1 S S22 1 0.00000000 5.81720587 0.17444072 1 S S23 1 5.03784807 2.90860294 3.23008672 1 [/CIF]
Al2Ce6S14Ti2
P6_3
173
hexagonal
6
4,448.233314
false
[CIF] data_La2BeRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01779806 _cell_length_b 5.01779806 _cell_length_c 3.68160657 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2BeRe _chemical_formula_sum 'La2 Be1 Re1' _cell_volume 92.69658496 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 0.00000000 2.50889903 1.84080329 1 La La2 1 2.50889903 0.00000000 1.84080329 1 Re Re3 1 2.50889903 2.50889903 0.00000000 1 [/CIF]
BeLa2Re
P4/mmm
123
tetragonal
4/mmm
8,473.727325
false
[CIF] data_K2FeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97338141 _cell_length_b 2.97338141 _cell_length_c 10.65797731 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2FeAs _chemical_formula_sum 'K2 Fe1 As1' _cell_volume 94.22714570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 5.32898865 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 K K2 1 1.48669071 1.48669071 2.72338125 1 K K3 1 1.48669071 1.48669071 7.93459606 1 [/CIF]
AsFeK2
P4/mmm
123
tetragonal
4/mmm
3,682.675443
false
[CIF] data_ZrScAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52009007 _cell_length_b 4.52009007 _cell_length_c 4.52009007 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScAs _chemical_formula_sum 'Zr1 Sc1 As1' _cell_volume 65.30196786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 4.79427951 4.79427951 4.79427951 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 3.19618634 3.19618634 3.19618634 1 [/CIF]
AsScZr
F-43m
216
cubic
-43m
5,368.020584
false
[CIF] data_TiMnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67100126 _cell_length_b 4.67100126 _cell_length_c 3.30880272 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnTe2 _chemical_formula_sum 'Ti1 Mn1 Te2' _cell_volume 72.19229407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 2.33550063 2.33550063 0.00000000 1 Te Te1 1 2.33550063 0.00000000 1.65440136 1 Te Te2 1 0.00000000 2.33550063 1.65440136 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnTe2Ti
P4/mmm
123
tetragonal
4/mmm
8,234.695179
false
[CIF] data_Ca3Y _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32661051 _cell_length_b 7.32661051 _cell_length_c 7.32661051 _cell_angle_alpha 150.28456693 _cell_angle_beta 62.55418043 _cell_angle_gamma 126.32832995 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Y _chemical_formula_sum 'Ca3 Y1' _cell_volume 155.63706377 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 3.09412239 3.30512823 1 Ca Ca1 1 1.87868618 3.16768611 -0.00236539 1 Ca Ca2 1 0.00000000 0.00000000 5.50428835 1 Y Y3 1 1.87868618 0.00000000 2.21792756 1 [/CIF]
Ca3Y
Imm2
44
orthorhombic
mm2
2,231.37653
false
[CIF] data_KHfAlCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67741666 _cell_length_b 4.67741666 _cell_length_c 4.67741666 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfAlCo _chemical_formula_sum 'K1 Hf1 Al1 Co1' _cell_volume 72.36076961 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 4.96114956 4.96114956 4.96114956 1 Hf Hf2 1 3.30743304 3.30743304 3.30743304 1 K K3 1 1.65371652 1.65371652 1.65371652 1 [/CIF]
AlCoHfK
F-43m
216
cubic
-43m
6,964.804919
false
[CIF] data_HoUMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60956630 _cell_length_b 4.60956630 _cell_length_c 4.60956630 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoUMn2 _chemical_formula_sum 'Ho1 U1 Mn2' _cell_volume 69.25724298 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 -0.00000000 -0.00000000 0.00000000 1 Mn Mn1 1 4.88918338 4.88918338 4.88918338 1 Mn Mn2 1 1.62972779 1.62972779 1.62972779 1 U U3 1 3.25945559 3.25945559 3.25945559 1 [/CIF]
HoMn2U
Fm-3m
225
cubic
m-3m
12,295.94259
false
[CIF] data_ZnRu4Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05959047 _cell_length_b 5.05959047 _cell_length_c 5.05959047 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnRu4Rh _chemical_formula_sum 'Zn1 Ru4 Rh1' _cell_volume 91.58642338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 1.78883536 1.78883536 1.78883536 1 Ru Ru1 1 2.68455754 2.68455754 4.47078392 1 Ru Ru2 1 2.68455754 4.47078392 2.68455754 1 Ru Ru3 1 4.47078392 2.68455754 2.68455754 1 Ru Ru4 1 4.47078392 4.47078392 4.47078392 1 Zn Zn5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RhRu4Zn
F-43m
216
cubic
-43m
10,381.095209
false
[CIF] data_CsLaO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79546813 _cell_length_b 3.79546813 _cell_length_c 13.84994700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsLaO2 _chemical_formula_sum 'Cs2 La2 O4' _cell_volume 172.78635399 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 1.89773406 1.09565727 10.38746025 1 Cs Cs1 1 -0.00000000 2.19131454 3.46248675 1 La La2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 0.00000000 0.00000000 6.92497350 1 O O4 1 1.89773406 1.09565727 5.74716016 1 O O5 1 1.89773406 1.09565727 1.17781334 1 O O6 1 -0.00000000 2.19131454 8.10278684 1 O O7 1 -0.00000000 2.19131454 12.67213366 1 [/CIF]
Cs2La2O4
P6_3/mmc
194
hexagonal
6/mmm
5,839.441474
false
[CIF] data_LiLaTlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21057327 _cell_length_b 5.21057327 _cell_length_c 5.21057327 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaTlCd _chemical_formula_sum 'Li1 La1 Tl1 Cd1' _cell_volume 100.03259213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.68443169 3.68443169 3.68443169 1 La La1 1 1.84221584 1.84221584 1.84221584 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 5.52664753 5.52664754 5.52664754 1 [/CIF]
CdLaLiTl
F-43m
216
cubic
-43m
7,679.827704
false
[CIF] data_Ca2ReTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18382491 _cell_length_b 6.18382491 _cell_length_c 5.29155687 _cell_angle_alpha 107.90012223 _cell_angle_beta 107.90012223 _cell_angle_gamma 32.36602044 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ReTe _chemical_formula_sum 'Ca2 Re1 Te1' _cell_volume 102.62458390 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.15522560 -0.00000000 0.18960164 1 Ca Ca1 1 1.39266186 -0.00000000 3.47782617 1 Re Re2 1 4.71724061 0.00000000 2.54702287 1 Te Te3 1 9.01100672 -0.00000000 1.30541340 1 [/CIF]
Ca2ReTe
Cm
8
monoclinic
m
6,374.602726
false
[CIF] data_Ta2GaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00308279 _cell_length_b 4.00308279 _cell_length_c 4.05683678 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2GaRh _chemical_formula_sum 'Ta2 Ga1 Rh1' _cell_volume 65.00947804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 2.00154139 2.00154139 0.00000000 1 Ta Ta2 1 2.00154139 0.00000000 2.02841839 1 Ta Ta3 1 0.00000000 2.00154139 2.02841839 1 [/CIF]
GaRhTa2
P4/mmm
123
tetragonal
4/mmm
13,653.369363
false
[CIF] data_ZrAgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18199538 _cell_length_b 5.18199538 _cell_length_c 5.18199538 _cell_angle_alpha 141.17869157 _cell_angle_beta 141.17869157 _cell_angle_gamma 56.06791969 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAgRh _chemical_formula_sum 'Zr1 Ag1 Rh1' _cell_volume 54.26316889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 -0.00000000 -0.00000000 9.13430639 1 Rh Rh1 1 0.00000000 0.00000000 2.92703170 1 Zr Zr2 1 -0.00000000 -0.00000000 6.23461231 1 [/CIF]
AgRhZr
I4mm
107
tetragonal
4mm
9,241.608795
false
[CIF] data_Fe2IrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23952394 _cell_length_b 4.23952394 _cell_length_c 4.23952394 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2IrW _chemical_formula_sum 'Fe2 Ir1 W1' _cell_volume 53.88107843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.49889807 1.49889807 1.49889807 1 Fe Fe1 1 4.49669419 4.49669419 4.49669419 1 Ir Ir2 1 2.99779613 2.99779613 2.99779613 1 W W3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Fe2IrW
Fm-3m
225
cubic
m-3m
15,031.676644
false
[CIF] data_BaMgVPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12025029 _cell_length_b 5.12025029 _cell_length_c 5.12025029 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgVPt _chemical_formula_sum 'Ba1 Mg1 V1 Pt1' _cell_volume 94.92018460 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.81028185 1.81028185 1.81028185 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.62056370 3.62056370 3.62056370 1 V V3 1 5.43084555 5.43084555 5.43084555 1 [/CIF]
BaMgPtV
F-43m
216
cubic
-43m
7,131.583313
false