Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
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_La2HfNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57967702 _cell_length_b 3.65480681 _cell_length_c 7.68872758 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.57308226 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2HfNi _chemical_formula_sum 'La2 Hf1 Ni1' _cell_volume 99.93061287 _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 -0.44006605 0.00000000 3.81909346 1 La La1 1 1.26734906 1.82740341 6.00058232 1 La La2 1 1.43219587 1.82740341 1.63760459 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfLa2Ni
P2/m
10
monoclinic
2/m
8,557.620093
false
[CIF] data_CdW2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79097561 _cell_length_b 2.79097561 _cell_length_c 8.85762276 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdW2Cl _chemical_formula_sum 'Cd1 W2 Cl1' _cell_volume 68.99684980 _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 4.42881138 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.39548780 1.39548780 2.11472448 1 W W3 1 1.39548780 1.39548780 6.74289828 1 [/CIF]
CdClW2
P4/mmm
123
tetragonal
4/mmm
12,407.536793
false
[CIF] data_TaMnInRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49566080 _cell_length_b 4.49566080 _cell_length_c 4.49566080 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMnInRu _chemical_formula_sum 'Ta1 Mn1 In1 Ru1' _cell_volume 64.24888739 _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 In In0 1 1.58945612 1.58945612 1.58945612 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.76836836 4.76836836 4.76836836 1 Ta Ta3 1 3.17891224 3.17891224 3.17891224 1 [/CIF]
InMnRuTa
F-43m
216
cubic
-43m
11,676.283936
false
[CIF] data_BaZn2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27518555 _cell_length_b 3.27518555 _cell_length_c 7.75892403 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZn2Ir _chemical_formula_sum 'Ba1 Zn2 Ir1' _cell_volume 83.22873964 _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 0.00000000 1 Ir Ir1 1 0.00000000 0.00000000 3.87946202 1 Zn Zn2 1 1.63759277 1.63759277 5.19944229 1 Zn Zn3 1 1.63759277 1.63759277 2.55948174 1 [/CIF]
BaIrZn2
P4/mmm
123
tetragonal
4/mmm
9,183.760054
false
[CIF] data_MgMnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69664735 _cell_length_b 2.69664735 _cell_length_c 8.88843711 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.26126189 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMnMo2 _chemical_formula_sum 'Mg1 Mn1 Mo2' _cell_volume 61.01784181 _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 Mn Mn1 1 0.00000000 0.00000000 4.44421855 1 Mo Mo2 1 1.56094168 0.00000000 6.44480985 1 Mo Mo3 1 1.56094168 0.00000000 2.44362726 1 [/CIF]
MgMnMo2
Cmmm
65
orthorhombic
mmm
7,379.428971
false
[CIF] data_HgB2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61084660 _cell_length_b 4.61084660 _cell_length_c 5.24806843 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 131.27969858 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgB2Pt _chemical_formula_sum 'Hg1 B2 Pt1' _cell_volume 83.84721322 _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 1.90184027 0.00000000 0.84786193 1 B B1 1 1.90184027 0.00000000 4.40020650 1 Hg Hg2 1 0.00000000 0.00000000 2.62403421 1 Pt Pt3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2HgPt
Cmmm
65
orthorhombic
mmm
8,264.273596
false
[CIF] data_Tl2WO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44006311 _cell_length_b 6.44006311 _cell_length_c 8.46381700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2WO4 _chemical_formula_sum 'Tl4 W2 O8' _cell_volume 304.00249167 _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 Tl Tl0 1 -0.00000000 3.71817217 6.88732105 1 Tl Tl1 1 3.22003156 1.85908609 1.57649595 1 Tl Tl2 1 0.00000000 0.00000000 4.23190850 1 Tl Tl3 1 0.00000000 0.00000000 0.00000000 1 W W4 1 -0.00000000 3.71817217 2.64672021 1 W W5 1 3.22003156 1.85908609 5.81709679 1 O O6 1 4.70108507 1.00399944 6.43861180 1 O O7 1 3.22003156 3.56925938 6.43861180 1 O O8 1 1.73897804 1.00399944 6.43861180 1 O O9 1 1.48105351 4.57325882 2.02520520 1 O O10 1 -0.00000000 2.00799888 2.02520520 1 O O11 1 -1.48105351 4.57325882 2.02520520 1 O O12 1 3.22003156 1.85908609 3.99521786 1 O O13 1 0.00000000 3.71817217 4.46859914 1 [/CIF]
O8Tl4W2
P-3m1
164
trigonal
-3m
7,173.078215
false
[CIF] data_MnBiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52456824 _cell_length_b 5.52456824 _cell_length_c 2.93992702 _cell_angle_alpha 104.21905281 _cell_angle_beta 104.21905281 _cell_angle_gamma 119.71903842 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBiOs2 _chemical_formula_sum 'Mn1 Bi1 Os2' _cell_volume 67.96620633 _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 2.77400649 0.00000000 0.00000000 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 0.66792130 -2.38881468 1.28207405 1 Os Os3 1 0.66792130 2.38881468 1.28207405 1 [/CIF]
BiMnOs2
C2/m
12
monoclinic
2/m
15,743.347163
false
[CIF] data_LiLaSc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76216236 _cell_length_b 5.76216236 _cell_length_c 3.41396777 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.97311369 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaSc2 _chemical_formula_sum 'Li1 La1 Sc2' _cell_volume 106.53451571 _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 La La0 1 3.30614792 -0.00000000 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.65307396 2.35965575 1.70698388 1 Sc Sc3 1 1.65307396 -2.35965575 1.70698388 1 [/CIF]
LaLiSc2
Cmmm
65
orthorhombic
mmm
3,674.732596
false
[CIF] data_ZrTlP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16996017 _cell_length_b 7.16996017 _cell_length_c 7.16996017 _cell_angle_alpha 151.45143562 _cell_angle_beta 149.52034327 _cell_angle_gamma 42.24969859 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTlP2 _chemical_formula_sum 'Zr1 Tl1 P2' _cell_volume 89.13568980 _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 -0.00000000 1.88469525 5.80984684 1 P P1 1 -0.00000000 -0.00000000 3.17239276 1 Tl Tl2 1 -0.00000000 1.88469525 0.54167616 1 Zr Zr3 1 -0.00000000 -0.00000000 10.54044305 1 [/CIF]
P2TlZr
Imm2
44
orthorhombic
mm2
6,661.010365
false
[CIF] data_MgBe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03925185 _cell_length_b 5.03925185 _cell_length_c 5.03925185 _cell_angle_alpha 135.19529038 _cell_angle_beta 135.19529038 _cell_angle_gamma 65.22691337 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBe2Cl _chemical_formula_sum 'Mg1 Be2 Cl1' _cell_volume 62.62320471 _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 1.92050108 2.12234602 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Cl Cl2 1 1.92050108 -0.00000000 2.12234602 1 Mg Mg3 1 0.00000000 0.00000000 4.24469203 1 [/CIF]
Be2ClMg
I-4m2
119
tetragonal
-42m
2,062.504701
false
[CIF] data_In2TePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02594672 _cell_length_b 5.02594672 _cell_length_c 3.81646704 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2TePd _chemical_formula_sum 'In2 Te1 Pd1' _cell_volume 96.40449339 _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 In In0 1 2.51297336 0.00000000 1.90823352 1 In In1 1 0.00000000 2.51297336 1.90823352 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 2.51297336 2.51297336 0.00000000 1 [/CIF]
In2PdTe
P4/mmm
123
tetragonal
4/mmm
7,986.338338
false
[CIF] data_TaZnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14149991 _cell_length_b 3.14149991 _cell_length_c 9.66159176 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnPb2 _chemical_formula_sum 'Ta1 Zn1 Pb2' _cell_volume 95.35045859 _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 Pb Pb0 1 1.57074995 1.57074995 9.12679860 1 Pb Pb1 1 0.00000000 0.00000000 2.88103893 1 Ta Ta2 1 1.57074995 1.57074995 5.23495582 1 Zn Zn3 1 0.00000000 0.00000000 6.91118605 1 [/CIF]
Pb2TaZn
P4mm
99
tetragonal
4mm
11,506.651079
false
[CIF] data_PIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51702110 _cell_length_b 3.51702110 _cell_length_c 2.81097700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PIr _chemical_formula_sum 'P1 Ir1' _cell_volume 30.11188002 _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 Ir Ir0 1 -0.00000002 2.03055309 1.40548850 1 P P1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrP
P-6m2
187
hexagonal
-6m2
12,309.745866
false
[CIF] data_CsCd3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83901637 _cell_length_b 6.83901637 _cell_length_c 6.83901637 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsCd3Pb _chemical_formula_sum 'Cs1 Cd3 Pb1' _cell_volume 319.87546469 _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 Pb Pb0 1 3.41950819 3.41950819 3.41950819 1 Cs Cs1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 0.00000000 3.41950819 0.00000000 1 Cd Cd3 1 0.00000000 0.00000000 3.41950819 1 Cd Cd4 1 3.41950819 0.00000000 0.00000000 1 [/CIF]
Cd3CsPb
Pm-3m
221
cubic
m-3m
3,516.202663
false
[CIF] data_Ba3Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14734457 _cell_length_b 4.14734457 _cell_length_c 11.13147090 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Ge _chemical_formula_sum 'Ba3 Ge1' _cell_volume 191.46649778 _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 2.07367229 2.07367229 9.27485064 1 Ba Ba1 1 0.00000000 0.00000000 5.56573545 1 Ba Ba2 1 2.07367229 2.07367229 1.85662026 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba3Ge
P4/mmm
123
tetragonal
4/mmm
4,202.991711
false
[CIF] data_TbTcRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56216669 _cell_length_b 4.56216669 _cell_length_c 4.56216669 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTcRu2 _chemical_formula_sum 'Tb1 Tc1 Ru2' _cell_volume 67.14264543 _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 1.61296950 1.61296950 1.61296950 1 Ru Ru1 1 4.83890850 4.83890850 4.83890850 1 Tb Tb2 1 3.22593900 3.22593900 3.22593900 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ru2TbTc
Fm-3m
225
cubic
m-3m
11,375.791397
false
[CIF] data_KTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97457393 _cell_length_b 6.97457393 _cell_length_c 8.86069711 _cell_angle_alpha 92.84861858 _cell_angle_beta 92.84861858 _cell_angle_gamma 30.74287725 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTl2 _chemical_formula_sum 'K2 Tl4' _cell_volume 220.04160300 _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 K K0 1 12.43469439 -0.00000000 8.82174469 1 K K1 1 9.27172601 -0.00000000 2.87941570 1 Tl Tl2 1 4.13528681 -0.00000000 5.86574946 1 Tl Tl3 1 5.68081621 0.00000000 3.08733542 1 Tl Tl4 1 0.43568814 0.00000000 5.47811437 1 Tl Tl5 1 8.88330037 -0.00000000 7.78850105 1 [/CIF]
K2Tl4
Cm
8
monoclinic
m
6,759.605028
false
[CIF] data_TaRu3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07728189 _cell_length_b 4.07728189 _cell_length_c 4.07728189 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRu3O _chemical_formula_sum 'Ta1 Ru3 O1' _cell_volume 67.78166217 _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 2.03864095 0.00000000 1 Ru Ru1 1 0.00000000 0.00000000 2.03864095 1 Ru Ru2 1 2.03864095 0.00000000 0.00000000 1 O O3 1 0.00000000 0.00000000 0.00000000 1 Ta Ta4 1 2.03864095 2.03864095 2.03864095 1 [/CIF]
ORu3Ta
Pm-3m
221
cubic
m-3m
12,253.029452
false
[CIF] data_VTe3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25773869 _cell_length_b 5.25773869 _cell_length_c 5.25773869 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTe3Pt _chemical_formula_sum 'V1 Te3 Pt1' _cell_volume 145.34396162 _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 Te Te0 1 2.62886935 0.00000000 2.62886935 1 Te Te1 1 2.62886935 2.62886935 0.00000000 1 Te Te2 1 0.00000000 2.62886935 2.62886935 1 Pt Pt3 1 2.62886935 2.62886935 2.62886935 1 V V4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtTe3V
Pm-3m
221
cubic
m-3m
7,184.263434
false
[CIF] data_KBiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24220284 _cell_length_b 5.24220284 _cell_length_c 5.24220284 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBiAs _chemical_formula_sum 'K1 Bi1 As1' _cell_volume 101.86534667 _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 1.85339859 1.85339859 1.85339859 1 Bi Bi1 1 3.70679718 3.70679718 3.70679718 1 K K2 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
AsBiK
F-43m
216
cubic
-43m
5,265.329518
false
[CIF] data_TlHg2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28604499 _cell_length_b 5.28604499 _cell_length_c 4.05898959 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlHg2Pb _chemical_formula_sum 'Tl1 Hg2 Pb1' _cell_volume 113.41738969 _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 0.00000000 2.64302249 2.02949480 1 Hg Hg1 1 2.64302249 0.00000000 2.02949480 1 Pb Pb2 1 2.64302249 2.64302249 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2PbTl
P4/mmm
123
tetragonal
4/mmm
11,899.632104
false
[CIF] data_KGe2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78001042 _cell_length_b 3.78001042 _cell_length_c 7.84800581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGe2Pb _chemical_formula_sum 'K1 Ge2 Pb1' _cell_volume 112.13606444 _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 0.29423061 1 Ge Ge1 1 1.89000521 1.89000521 1.34718467 1 K K2 1 0.00000000 0.00000000 3.74839922 1 Pb Pb3 1 1.89000521 1.89000521 6.38219421 1 [/CIF]
Ge2KPb
P4mm
99
tetragonal
4mm
5,798.590025
false
[CIF] data_HfZrSc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20082052 _cell_length_b 3.20082052 _cell_length_c 9.21881112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrSc2 _chemical_formula_sum 'Hf1 Zr1 Sc2' _cell_volume 94.44904308 _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 1.60041026 1.60041026 6.89832149 1 Sc Sc1 1 0.00000000 0.00000000 9.08454485 1 Sc Sc2 1 1.60041026 1.60041026 2.41053224 1 Zr Zr3 1 0.00000000 0.00000000 4.65362912 1 [/CIF]
HfSc2Zr
P4mm
99
tetragonal
4mm
6,322.697517
false
[CIF] data_KCa2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65238774 _cell_length_b 5.65238774 _cell_length_c 5.65238774 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCa2Be _chemical_formula_sum 'K1 Ca2 Be1' _cell_volume 127.69704253 _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 Ca Ca1 1 5.99526255 5.99526255 5.99526255 1 Ca Ca2 1 1.99842085 1.99842085 1.99842085 1 K K3 1 3.99684170 3.99684170 3.99684170 1 [/CIF]
BeCa2K
Fm-3m
225
cubic
m-3m
1,667.943909
false
[CIF] data_AlFe7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31110195 _cell_length_b 2.48901587 _cell_length_c 8.25513174 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.02498786 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFe7 _chemical_formula_sum 'Al1 Fe7' _cell_volume 87.22841600 _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 Fe Fe1 1 0.71851699 1.24450793 2.03227295 1 Fe Fe2 1 1.43703398 0.00000000 4.06454590 1 Fe Fe3 1 2.15555097 1.24450793 6.09681884 1 Fe Fe4 1 2.15555097 1.24450793 0.00000000 1 Fe Fe5 1 2.87406796 0.00000000 2.03227295 1 Fe Fe6 1 -0.71851699 1.24450793 4.06454590 1 Fe Fe7 1 0.00000000 0.00000000 6.09681884 1 [/CIF]
AlFe7
P2/m
10
monoclinic
2/m
7,955.360879
false
[CIF] data_NaSrIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85956307 _cell_length_b 4.85956307 _cell_length_c 4.85956307 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrIr2 _chemical_formula_sum 'Na1 Sr1 Ir2' _cell_volume 81.14778522 _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 Ir Ir0 1 5.15434500 5.15434500 5.15434500 1 Ir Ir1 1 1.71811500 1.71811500 1.71811500 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 3.43623000 3.43623000 3.43623000 1 [/CIF]
Ir2NaSr
Fm-3m
225
cubic
m-3m
10,130.153477
false
[CIF] data_Ni2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90175196 _cell_length_b 3.90175196 _cell_length_c 2.97795730 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2Cl _chemical_formula_sum 'Ni2 Cl1' _cell_volume 39.26163787 _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 Ni Ni1 1 0.00000000 2.25267755 0.64840270 1 Ni Ni2 1 1.95087598 1.12633877 2.32955460 1 [/CIF]
ClNi2
P-3m1
164
trigonal
-3m
6,464.235135
false
[CIF] data_Be2TcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74847469 _cell_length_b 2.74847469 _cell_length_c 6.35095994 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2TcAg _chemical_formula_sum 'Be2 Tc1 Ag1' _cell_volume 47.97586982 _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 1.37423735 1.37423735 5.04431941 1 Be Be1 1 0.00000000 0.00000000 0.29043016 1 Be Be2 1 1.37423735 1.37423735 1.36070854 1 Tc Tc3 1 0.00000000 0.00000000 2.83098187 1 [/CIF]
AgBe2Tc
P4mm
99
tetragonal
4mm
7,780.726669
false
[CIF] data_HgBiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23229900 _cell_length_b 4.23229900 _cell_length_c 4.23229900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgBiO3 _chemical_formula_sum 'Hg1 Bi1 O3' _cell_volume 75.81044142 _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 2.11614950 2.11614950 2.11614950 1 Hg Hg1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 2.11614950 2.11614950 0.00000000 1 O O3 1 2.11614950 0.00000000 2.11614950 1 O O4 1 0.00000000 2.11614950 2.11614950 1 [/CIF]
BiHgO3
Pm-3m
221
cubic
m-3m
10,022.505103
false
[CIF] data_Ba2MnCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57864619 _cell_length_b 3.57864619 _cell_length_c 9.31144872 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MnCo _chemical_formula_sum 'Ba2 Mn1 Co1' _cell_volume 119.24900997 _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 1.78932310 1.78932310 8.47058765 1 Ba Ba1 1 0.00000000 0.00000000 3.13740875 1 Co Co2 1 1.78932310 1.78932310 5.52059909 1 Mn Mn3 1 0.00000000 0.00000000 6.15002621 1 [/CIF]
Ba2CoMn
P4mm
99
tetragonal
4mm
5,410.203009
false
[CIF] data_La2YGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21979078 _cell_length_b 4.21979078 _cell_length_c 7.88993652 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2YGe _chemical_formula_sum 'La2 Y1 Ge1' _cell_volume 140.49321369 _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 5.76915788 1 La La1 1 2.10989539 2.10989539 7.55532873 1 La La2 1 0.00000000 0.00000000 2.03900703 1 Y Y3 1 2.10989539 2.10989539 4.36134775 1 [/CIF]
GeLa2Y
P4mm
99
tetragonal
4mm
5,192.913557
false
[CIF] data_KZrSn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21576210 _cell_length_b 6.21576210 _cell_length_c 6.21576210 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrSn4 _chemical_formula_sum 'K1 Zr1 Sn4' _cell_volume 169.81191281 _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 Sn Sn1 1 5.48558518 5.48558518 3.30482988 1 Sn Sn2 1 5.48558518 3.30482988 5.48558518 1 Sn Sn3 1 3.30482988 5.48558518 5.48558518 1 Sn Sn4 1 3.30482988 3.30482988 3.30482988 1 Zr Zr5 1 6.59281130 6.59281130 6.59281130 1 [/CIF]
KSn4Zr
F-43m
216
cubic
-43m
5,917.698141
false
[CIF] data_Th2SnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35664787 _cell_length_b 5.35664787 _cell_length_c 5.35664787 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2SnGe _chemical_formula_sum 'Th2 Sn1 Ge1' _cell_volume 108.68367004 _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 0.00000000 1 Sn Sn1 1 3.78772203 3.78772203 3.78772203 1 Th Th2 1 5.68158305 5.68158305 5.68158305 1 Th Th3 1 1.89386101 1.89386102 1.89386101 1 [/CIF]
GeSnTh2
Fm-3m
225
cubic
m-3m
10,014.022135
false
[CIF] data_BiOsW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18934926 _cell_length_b 3.18934926 _cell_length_c 7.33243415 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiOsW2 _chemical_formula_sum 'Bi1 Os1 W2' _cell_volume 74.58514404 _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 1.59467463 1.59467463 3.64674367 1 Os Os1 1 0.00000000 0.00000000 5.87839941 1 W W2 1 1.59467463 1.59467463 7.28190840 1 W W3 1 0.00000000 0.00000000 1.52403397 1 [/CIF]
BiOsW2
P4mm
99
tetragonal
4mm
17,073.796251
false
[CIF] data_Cr2GaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04982995 _cell_length_b 3.04982995 _cell_length_c 5.95565504 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2GaAs _chemical_formula_sum 'Cr2 Ga1 As1' _cell_volume 55.39630335 _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 2.97782752 1 Cr Cr1 1 1.52491498 1.52491498 4.37277843 1 Cr Cr2 1 1.52491498 1.52491498 1.58287661 1 Ga Ga3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCr2Ga
P4/mmm
123
tetragonal
4/mmm
7,453.081901
false
[CIF] data_Mo2OsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83002799 _cell_length_b 4.83002799 _cell_length_c 2.77220958 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.24850666 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2OsPd _chemical_formula_sum 'Mo2 Os1 Pd1' _cell_volume 60.67655963 _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 1.38090175 1.98126297 1.38610479 1 Mo Mo1 1 1.38090175 -1.98126297 1.38610479 1 Os Os2 1 2.76180349 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2OsPd
Cmmm
65
orthorhombic
mmm
13,372.057698
false
[CIF] data_Re2BMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75192832 _cell_length_b 2.75192832 _cell_length_c 6.89813995 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2BMo _chemical_formula_sum 'Re2 B1 Mo1' _cell_volume 52.24036904 _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 Mo Mo1 1 0.00000000 0.00000000 3.44906997 1 Re Re2 1 1.37596416 1.37596416 5.58380203 1 Re Re3 1 1.37596416 1.37596416 1.31433792 1 [/CIF]
BMoRe2
P4/mmm
123
tetragonal
4/mmm
15,231.619287
false
[CIF] data_La2HfNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55596653 _cell_length_b 3.55596653 _cell_length_c 8.09486838 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2HfNi _chemical_formula_sum 'La2 Hf1 Ni1' _cell_volume 102.35878468 _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 4.04743419 1 La La1 1 1.77798327 1.77798327 6.36472707 1 La La2 1 1.77798327 1.77798327 1.73014131 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfLa2Ni
P4/mmm
123
tetragonal
4/mmm
8,354.634067
false
[CIF] data_Si2AgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16222259 _cell_length_b 3.91054633 _cell_length_c 6.32148097 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2AgSb _chemical_formula_sum 'Si2 Ag1 Sb1' _cell_volume 78.17154711 _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 0.00000000 1 Sb Sb1 1 0.00000000 0.00000000 3.16074049 1 Si Si2 1 1.58111130 1.95527316 5.05521633 1 Si Si3 1 1.58111130 1.95527316 1.26626464 1 [/CIF]
AgSbSi2
Pmmm
47
orthorhombic
mmm
6,071.016302
false
[CIF] data_LaTcSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22485584 _cell_length_b 6.22485584 _cell_length_c 6.22485584 _cell_angle_alpha 149.33547588 _cell_angle_beta 149.33547588 _cell_angle_gamma 43.91773545 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTcSe _chemical_formula_sum 'La1 Tc1 Se1' _cell_volume 62.56269842 _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 La La0 1 0.00000000 0.00000000 11.47649880 1 Se Se1 1 -0.00000000 0.00000000 8.11618276 1 Tc Tc2 1 -0.00000000 0.00000000 3.50035196 1 [/CIF]
LaSeTc
I4mm
107
tetragonal
4mm
8,407.786011
false
[CIF] data_CaMn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07362972 _cell_length_b 3.07362972 _cell_length_c 6.95069433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMn2Mo _chemical_formula_sum 'Ca1 Mn2 Mo1' _cell_volume 65.66459729 _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 Mn Mn1 1 1.53681486 1.53681486 2.18550543 1 Mn Mn2 1 1.53681486 1.53681486 4.76518890 1 Mo Mo3 1 0.00000000 0.00000000 3.47534717 1 [/CIF]
CaMn2Mo
P4/mmm
123
tetragonal
4/mmm
6,218.724314
false
[CIF] data_LaScTaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87741904 _cell_length_b 4.87741904 _cell_length_c 4.87741904 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScTaOs _chemical_formula_sum 'La1 Sc1 Ta1 Os1' _cell_volume 82.04558404 _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 La La0 1 3.44885608 3.44885608 3.44885608 1 Os Os1 1 1.72442804 1.72442804 1.72442804 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 5.17328412 5.17328412 5.17328412 1 [/CIF]
LaOsScTa
F-43m
216
cubic
-43m
11,233.564717
false
[CIF] data_NiGe3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51732386 _cell_length_b 4.51732386 _cell_length_c 4.51732386 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGe3Pt _chemical_formula_sum 'Ni1 Ge3 Pt1' _cell_volume 92.18148126 _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 Ge Ge1 1 0.00000000 2.25866193 0.00000000 1 Ge Ge2 1 0.00000000 0.00000000 2.25866193 1 Ge Ge3 1 2.25866193 0.00000000 0.00000000 1 Pt Pt4 1 2.25866193 2.25866193 2.25866193 1 [/CIF]
Ge3NiPt
Pm-3m
221
cubic
m-3m
8,497.064156
false
[CIF] data_BeGaFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58631720 _cell_length_b 4.58631720 _cell_length_c 4.58631720 _cell_angle_alpha 144.18749574 _cell_angle_beta 144.18749574 _cell_angle_gamma 51.54701271 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGaFe _chemical_formula_sum 'Be1 Ga1 Fe1' _cell_volume 32.84914821 _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 0.20014476 1 Fe Fe1 1 -0.00000000 0.00000000 5.33418823 1 Ga Ga2 1 0.00000000 -0.00000000 2.72580707 1 [/CIF]
BeFeGa
I4mm
107
tetragonal
4mm
6,803.088162
false
[CIF] data_SrCuHgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26672657 _cell_length_b 5.26672657 _cell_length_c 5.26672657 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCuHgPb _chemical_formula_sum 'Sr1 Cu1 Hg1 Pb1' _cell_volume 103.30166395 _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 0.00000000 1 Hg Hg1 1 5.58620710 5.58620711 5.58620711 1 Pb Pb2 1 3.72413807 3.72413807 3.72413807 1 Sr Sr3 1 1.86206903 1.86206903 1.86206903 1 [/CIF]
CuHgPbSr
F-43m
216
cubic
-43m
8,985.027337
false
[CIF] data_InAg2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68860627 _cell_length_b 4.68860627 _cell_length_c 3.31601642 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAg2W _chemical_formula_sum 'In1 Ag2 W1' _cell_volume 72.89608431 _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 2.34430314 0.00000000 1.65800821 1 Ag Ag1 1 0.00000000 2.34430314 1.65800821 1 In In2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 2.34430314 2.34430314 0.00000000 1 [/CIF]
Ag2InW
P4/mmm
123
tetragonal
4/mmm
11,717.666386
false
[CIF] data_Ba3LiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84784530 _cell_length_b 5.84784530 _cell_length_c 5.84784530 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3LiP _chemical_formula_sum 'Ba3 Li1 P1' _cell_volume 199.98048881 _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 2.92392265 2.92392265 2.92392265 1 Ba Ba1 1 0.00000000 2.92392265 0.00000000 1 Ba Ba2 1 0.00000000 0.00000000 2.92392265 1 Ba Ba3 1 2.92392265 0.00000000 0.00000000 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba3LiP
Pm-3m
221
cubic
m-3m
3,735.711884
false
[CIF] data_LaEu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60010438 _cell_length_b 4.60010438 _cell_length_c 4.60010438 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaEu _chemical_formula_sum 'La1 Eu1' _cell_volume 68.83163100 _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 Eu Eu0 1 1.62638250 1.62638250 1.62638250 1 La La1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
EuLa
F-43m
216
cubic
-43m
7,017.124412
false
[CIF] data_BaMnTlFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23528115 _cell_length_b 5.23528115 _cell_length_c 5.23528115 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnTlFe _chemical_formula_sum 'Ba1 Mn1 Tl1 Fe1' _cell_volume 101.46237638 _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 3.70190280 3.70190280 3.70190280 1 Fe Fe1 1 1.85095140 1.85095140 1.85095140 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 5.55285420 5.55285420 5.55285420 1 [/CIF]
BaFeMnTl
F-43m
216
cubic
-43m
7,405.532016
false
[CIF] data_BaSrYTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54223227 _cell_length_b 5.54223227 _cell_length_c 5.54223227 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrYTc _chemical_formula_sum 'Ba1 Sr1 Y1 Tc1' _cell_volume 120.37579545 _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 1.95947501 1.95947501 1.95947501 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 3.91895002 3.91895002 3.91895002 1 Y Y3 1 5.87842503 5.87842503 5.87842503 1 [/CIF]
BaSrTcY
F-43m
216
cubic
-43m
5,693.856685
false
[CIF] data_SrRhF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86302274 _cell_length_b 4.86302274 _cell_length_c 4.86302274 _cell_angle_alpha 98.37779920 _cell_angle_beta 98.37779920 _cell_angle_gamma 98.37779920 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRhF6 _chemical_formula_sum 'Sr1 Rh1 F6' _cell_volume 110.91504475 _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 F F0 1 0.00000000 -1.53048556 2.34080227 1 F F1 1 -1.32543938 0.76524278 2.34080227 1 F F2 1 1.32543938 -0.76524278 4.74954795 1 F F3 1 0.00000000 1.53048556 4.74954795 1 F F4 1 -1.32543938 -0.76524278 4.74954795 1 F F5 1 1.32543938 0.76524278 2.34080227 1 Sr Sr6 1 0.00000000 0.00000000 0.00000000 1 Rh Rh7 1 0.00000000 0.00000000 3.54517511 1 [/CIF]
F6RhSr
R-3m
166
trigonal
-3m
4,558.990005
false
[CIF] data_BaVZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52343650 _cell_length_b 4.52343650 _cell_length_c 6.35947099 _cell_angle_alpha 110.17820875 _cell_angle_beta 110.17820875 _cell_angle_gamma 59.95196428 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaVZn2 _chemical_formula_sum 'Ba1 V1 Zn2' _cell_volume 103.32071422 _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 2.65436778 -0.00000000 2.91854327 1 V V1 1 5.22730794 -0.00000000 0.36215016 1 Zn Zn2 1 7.83321904 -0.00000000 0.00074301 1 Zn Zn3 1 0.07831511 -0.00000000 5.46883341 1 [/CIF]
BaVZn2
Cm
8
monoclinic
m
5,127.328935
false
[CIF] data_LaTaCrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73110516 _cell_length_b 4.73110516 _cell_length_c 4.73110516 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaCrIr _chemical_formula_sum 'La1 Ta1 Cr1 Ir1' _cell_volume 74.88120178 _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 0.00000000 1 Ir Ir1 1 3.34539654 3.34539654 3.34539654 1 La La2 1 1.67269827 1.67269827 1.67269827 1 Ta Ta3 1 5.01809481 5.01809481 5.01809481 1 [/CIF]
CrIrLaTa
F-43m
216
cubic
-43m
12,508.538246
false
[CIF] data_Sc5Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95787769 _cell_length_b 8.10420056 _cell_length_c 8.10420056 _cell_angle_alpha 23.86413514 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Cu _chemical_formula_sum 'Sc5 Cu1' _cell_volume 131.73737582 _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 2.47893884 0.00000000 0.03258938 1 Sc Sc1 1 2.47893884 -0.00000000 10.51881437 1 Sc Sc2 1 2.47893884 0.00000000 5.49765755 1 Sc Sc3 1 0.00000000 -0.00000000 8.63311616 1 Sc Sc4 1 0.00000000 0.00000000 3.49697887 1 Sc Sc5 1 0.00000000 -0.00000000 14.10935841 1 [/CIF]
CuSc5
Amm2
38
orthorhombic
mm2
3,634.320581
false
[CIF] data_BeVBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07431190 _cell_length_b 3.07431190 _cell_length_c 6.43947313 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeVBr _chemical_formula_sum 'Be1 V1 Br1' _cell_volume 52.70803439 _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 5.97846899 1 Br Br1 1 1.53715595 0.88747740 2.59439334 1 V V2 1 0.00000000 1.77495481 4.30608399 1 [/CIF]
BeBrV
P3m1
156
trigonal
3m
4,406.143155
false
[CIF] data_CoRe2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29415168 _cell_length_b 4.29415168 _cell_length_c 4.29415168 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoRe2Os _chemical_formula_sum 'Co1 Re2 Os1' _cell_volume 55.99086066 _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 0.00000000 0.00000000 0.00000000 1 Os Os1 1 4.55463566 4.55463566 4.55463566 1 Re Re2 1 3.03642377 3.03642377 3.03642377 1 Re Re3 1 1.51821189 1.51821189 1.51821189 1 [/CIF]
CoOsRe2
F-43m
216
cubic
-43m
18,434.315939
false
[CIF] data_YNbVPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66223859 _cell_length_b 4.66223859 _cell_length_c 4.66223859 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbVPt _chemical_formula_sum 'Y1 Nb1 V1 Pt1' _cell_volume 71.65862746 _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 4.94505078 4.94505078 4.94505078 1 Pt Pt1 1 1.64835026 1.64835026 1.64835026 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.29670052 3.29670052 3.29670052 1 [/CIF]
NbPtVY
F-43m
216
cubic
-43m
9,914.246058
false
[CIF] data_LaAg2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00269247 _cell_length_b 4.05432094 _cell_length_c 6.97431297 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAg2Mo _chemical_formula_sum 'La1 Ag2 Mo1' _cell_volume 84.90444191 _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 1.50134624 2.02716047 6.93361186 1 Ag Ag1 1 0.00000000 0.00000000 1.41733976 1 La La2 1 1.50134624 2.02716047 3.57101318 1 Mo Mo3 1 0.00000000 0.00000000 5.51381763 1 [/CIF]
Ag2LaMo
Pmm2
25
orthorhombic
mm2
8,812.754572
false
[CIF] data_ScMn4In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88957537 _cell_length_b 4.88957537 _cell_length_c 4.88957537 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMn4In _chemical_formula_sum 'Sc1 Mn4 In1' _cell_volume 82.66057775 _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 In In0 1 5.18617785 5.18617785 5.18617785 1 Mn Mn1 1 4.31821989 2.59668391 4.31821989 1 Mn Mn2 1 2.59668391 4.31821989 4.31821989 1 Mn Mn3 1 2.59668391 2.59668391 2.59668391 1 Mn Mn4 1 4.31821989 4.31821989 2.59668391 1 Sc Sc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InMn4Sc
F-43m
216
cubic
-43m
7,624.165227
false
[CIF] data_Al2HgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06341659 _cell_length_b 6.06341659 _cell_length_c 6.06341659 _cell_angle_alpha 147.67571044 _cell_angle_beta 128.08456553 _cell_angle_gamma 62.49286334 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2HgPb _chemical_formula_sum 'Al2 Hg1 Pb1' _cell_volume 92.88288452 _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 0.26176949 1 Al Al1 1 1.68779191 0.00000000 2.49234238 1 Hg Hg2 1 0.00000000 -0.00000000 4.93927799 1 Pb Pb3 1 -0.00000000 2.65400438 2.67437546 1 [/CIF]
Al2HgPb
Imm2
44
orthorhombic
mm2
8,255.116406
false
[CIF] data_BeAl2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13168188 _cell_length_b 3.13168188 _cell_length_c 7.96998432 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.13199952 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAl2Bi _chemical_formula_sum 'Be1 Al2 Bi1' _cell_volume 77.37910965 _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 2.05184425 0.00000000 6.55438264 1 Al Al1 1 2.05184425 0.00000000 1.41560168 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Bi Bi3 1 0.00000000 0.00000000 3.98499216 1 [/CIF]
Al2BeBi
Cmmm
65
orthorhombic
mmm
5,836.110011
false
[CIF] data_Fe3AuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77621237 _cell_length_b 4.77621237 _cell_length_c 4.77621237 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3AuSe _chemical_formula_sum 'Fe3 Au1 Se1' _cell_volume 108.95593381 _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 2.38810618 2.38810618 2.38810618 1 Fe Fe1 1 2.38810618 0.00000000 2.38810618 1 Fe Fe2 1 2.38810618 2.38810618 0.00000000 1 Fe Fe3 1 0.00000000 2.38810618 2.38810618 1 Se Se4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuFe3Se
Pm-3m
221
cubic
m-3m
6,758.560402
false
[CIF] data_Sc2BiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27149282 _cell_length_b 5.27149282 _cell_length_c 5.27149282 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2BiBr _chemical_formula_sum 'Sc2 Bi1 Br1' _cell_volume 103.58237395 _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 1.86375416 1.86375416 1.86375416 1 Br Br1 1 3.72750832 3.72750832 3.72750832 1 Sc Sc2 1 5.59126248 5.59126248 5.59126248 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiBrSc2
F-43m
216
cubic
-43m
6,072.518946
false
[CIF] data_Sn2BAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85693686 _cell_length_b 4.85693686 _cell_length_c 4.85693686 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2BAs _chemical_formula_sum 'Sn2 B1 As1' _cell_volume 81.01629444 _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 3.43437299 3.43437299 3.43437299 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.71718649 1.71718649 1.71718649 1 Sn Sn3 1 5.15155948 5.15155948 5.15155948 1 [/CIF]
AsBSn2
Fm-3m
225
cubic
m-3m
6,623.458968
false
[CIF] data_YTeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01829528 _cell_length_b 5.01829528 _cell_length_c 5.01829528 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTeAu2 _chemical_formula_sum 'Y1 Te1 Au2' _cell_volume 89.36215612 _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 1.77423531 1.77423531 1.77423531 1 Au Au1 1 5.32270594 5.32270594 5.32270594 1 Te Te2 1 3.54847063 3.54847062 3.54847063 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2TeY
Fm-3m
225
cubic
m-3m
11,343.255706
false
[CIF] data_SrCo2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44743479 _cell_length_b 5.44743479 _cell_length_c 5.44743479 _cell_angle_alpha 132.83060561 _cell_angle_beta 132.83060561 _cell_angle_gamma 68.92029710 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCo2Bi _chemical_formula_sum 'Sr1 Co2 Bi1' _cell_volume 85.34609493 _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 2.17954193 2.24575932 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 2.17954193 -0.00000000 2.24575932 1 Sr Sr3 1 0.00000000 0.00000000 4.49151864 1 [/CIF]
BiCo2Sr
I-4m2
119
tetragonal
-42m
8,064.086554
false
[CIF] data_CaTaTcIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60597937 _cell_length_b 4.60597937 _cell_length_c 4.60597937 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaTcIr _chemical_formula_sum 'Ca1 Ta1 Tc1 Ir1' _cell_volume 69.09569171 _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 Ir Ir1 1 4.88537887 4.88537887 4.88537888 1 Ta Ta2 1 1.62845962 1.62845962 1.62845963 1 Tc Tc3 1 3.25691925 3.25691925 3.25691925 1 [/CIF]
CaIrTaTc
F-43m
216
cubic
-43m
12,308.199457
false
[CIF] data_CdSnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67327180 _cell_length_b 4.67327180 _cell_length_c 4.67327180 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSnW2 _chemical_formula_sum 'Cd1 Sn1 W2' _cell_volume 72.16857396 _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 Sn Sn1 1 3.30450218 3.30450218 3.30450218 1 W W2 1 4.95675327 4.95675327 4.95675327 1 W W3 1 1.65225109 1.65225109 1.65225109 1 [/CIF]
CdSnW2
Fm-3m
225
cubic
m-3m
13,777.914666
false
[CIF] data_LiBiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65187855 _cell_length_b 4.65187855 _cell_length_c 4.65187855 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBiPt2 _chemical_formula_sum 'Li1 Bi1 Pt2' _cell_volume 71.18198690 _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 4.93406231 4.93406231 4.93406231 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.64468744 1.64468744 1.64468743 1 Pt Pt3 1 3.28937487 3.28937487 3.28937487 1 [/CIF]
BiLiPt2
F-43m
216
cubic
-43m
14,138.901855
false
[CIF] data_Ba2HfPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.22075643 _cell_length_b 9.22075643 _cell_length_c 4.16876144 _cell_angle_alpha 100.54848336 _cell_angle_beta 100.54848336 _cell_angle_gamma 22.92655409 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2HfPt _chemical_formula_sum 'Ba2 Hf1 Pt1' _cell_volume 135.64140446 _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 14.97323022 -0.00000000 1.48902846 1 Ba Ba1 1 2.32171869 -0.00000000 2.60635937 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 8.64747445 0.00000000 2.04769392 1 [/CIF]
Ba2HfPt
C2/m
12
monoclinic
2/m
7,935.688386
false
[CIF] data_SiSb2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64753744 _cell_length_b 5.22028507 _cell_length_c 5.25984115 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiSb2Te _chemical_formula_sum 'Si1 Sb2 Te1' _cell_volume 100.15360967 _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 1.82376872 2.61014254 0.00000000 1 Sb Sb1 1 0.00000000 2.61014254 2.62992057 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 1.82376872 0.00000000 2.62992057 1 [/CIF]
Sb2SiTe
Pmmm
47
orthorhombic
mmm
6,618.796172
false
[CIF] data_NaYGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02194089 _cell_length_b 5.02194089 _cell_length_c 5.02194089 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYGe2 _chemical_formula_sum 'Na1 Y1 Ge2' _cell_volume 89.55705272 _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 1.77552423 1.77552423 1.77552423 1 Ge Ge1 1 5.32657269 5.32657269 5.32657269 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.55104846 3.55104846 3.55104846 1 [/CIF]
Ge2NaY
Fm-3m
225
cubic
m-3m
4,768.470487
false
[CIF] data_AlCoRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53727839 _cell_length_b 4.53727839 _cell_length_c 4.53727839 _cell_angle_alpha 130.79922756 _cell_angle_beta 130.79922756 _cell_angle_gamma 72.13225900 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCoRu2 _chemical_formula_sum 'Al1 Co1 Ru2' _cell_volume 52.33892813 _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 -0.00000000 0.00000000 3.66765475 1 Ru Ru2 1 -0.00000000 1.88880965 1.83382738 1 Ru Ru3 1 1.88880965 -0.00000000 1.83382737 1 [/CIF]
AlCoRu2
I4/mmm
139
tetragonal
4/mmm
9,139.012883
false
[CIF] data_SrLaYNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50142381 _cell_length_b 5.50142381 _cell_length_c 5.50142381 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaYNi _chemical_formula_sum 'Sr1 La1 Y1 Ni1' _cell_volume 117.73627997 _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 La La0 1 1.94504704 1.94504704 1.94504704 1 Ni Ni1 1 0.00000000 -0.00000000 0.00000000 1 Sr Sr2 1 5.83514112 5.83514112 5.83514112 1 Y Y3 1 3.89009408 3.89009408 3.89009408 1 [/CIF]
LaNiSrY
F-43m
216
cubic
-43m
5,276.612387
false
[CIF] data_K2ZrPa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89102356 _cell_length_b 5.89102356 _cell_length_c 5.89102356 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ZrPa _chemical_formula_sum 'K2 Zr1 Pa1' _cell_volume 144.56304304 _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 2.08279135 2.08279135 2.08279135 1 K K1 1 6.24837406 6.24837406 6.24837406 1 Pa Pa2 1 4.16558271 4.16558271 4.16558271 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2PaZr
Fm-3m
225
cubic
m-3m
4,599.886773
false
[CIF] data_Si3Br2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25979358 _cell_length_b 5.25979358 _cell_length_c 5.25979358 _cell_angle_alpha 104.55350617 _cell_angle_beta 104.55350617 _cell_angle_gamma 104.55350617 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si3Br2 _chemical_formula_sum 'Si3 Br2' _cell_volume 128.41887181 _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 4.68498329 1 Br Br1 1 -0.00000000 0.00000000 1.74035771 1 Si Si2 1 -0.00000000 -2.40198905 1.07089017 1 Si Si3 1 2.08018354 1.20099452 1.07089017 1 Si Si4 1 -2.08018354 1.20099452 1.07089017 1 [/CIF]
Br4Si6
R-3m
166
trigonal
-3m
3,155.911987
false
[CIF] data_Tl2InCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51536558 _cell_length_b 5.51536558 _cell_length_c 5.51536558 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2InCl _chemical_formula_sum 'Tl2 In1 Cl1' _cell_volume 118.63365608 _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 In In1 1 3.89995240 3.89995240 3.89995240 1 Tl Tl2 1 1.94997620 1.94997620 1.94997620 1 Tl Tl3 1 5.84992860 5.84992860 5.84992860 1 [/CIF]
ClInTl2
Fm-3m
225
cubic
m-3m
7,824.961357
false
[CIF] data_Y2TiSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26025968 _cell_length_b 5.97169781 _cell_length_c 5.97169781 _cell_angle_alpha 39.09885798 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TiSi _chemical_formula_sum 'Y2 Ti1 Si1' _cell_volume 95.81361744 _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 Si Si0 1 0.00000000 0.00000000 3.49554603 1 Ti Ti1 1 2.13012984 0.00000000 4.92118100 1 Y Y2 1 0.00000000 -0.00000000 0.24496710 1 Y Y3 1 2.13012984 -0.00000000 8.19185409 1 [/CIF]
SiTiY2
Amm2
38
orthorhombic
mm2
4,397.973574
false
[CIF] data_SnBi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01552166 _cell_length_b 5.01552166 _cell_length_c 6.74526109 _cell_angle_alpha 108.80059264 _cell_angle_beta 108.80059264 _cell_angle_gamma 42.68579036 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnBi2Ir _chemical_formula_sum 'Sn1 Bi2 Ir1' _cell_volume 107.93362714 _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 9.04952286 0.00000000 0.18244761 1 Bi Bi1 1 -0.06720615 0.00000000 4.52964169 1 Ir Ir2 1 4.09644938 0.00000000 2.36239359 1 Sn Sn3 1 6.77815563 -0.00000000 2.41845419 1 [/CIF]
Bi2IrSn
Cm
8
monoclinic
m
11,213.805179
false
[CIF] data_LaCrHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47114565 _cell_length_b 3.47114565 _cell_length_c 7.80611868 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrHg2 _chemical_formula_sum 'La1 Cr1 Hg2' _cell_volume 94.05476936 _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 6.18459642 1 Hg Hg1 1 1.73557282 1.73557282 7.45334948 1 Hg Hg2 1 0.00000000 0.00000000 1.69339093 1 La La3 1 1.73557282 1.73557282 4.18395994 1 [/CIF]
CrHg2La
P4mm
99
tetragonal
4mm
10,454.236358
false
[CIF] data_BaLi2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66525100 _cell_length_b 6.69409700 _cell_length_c 6.37400000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLi2Si _chemical_formula_sum 'Ba2 Li4 Si2' _cell_volume 199.05774272 _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 Ba Ba0 1 2.33262550 0.00000000 0.59703983 1 Ba Ba1 1 0.00000000 3.34704850 5.77696017 1 Li Li2 1 2.33262550 5.34632090 3.75069744 1 Li Li3 1 0.00000000 4.69482460 2.62330256 1 Li Li4 1 0.00000000 1.99927240 2.62330256 1 Li Li5 1 2.33262550 1.34777610 3.75069744 1 Si Si6 1 0.00000000 0.00000000 4.42003755 1 Si Si7 1 2.33262550 3.34704850 1.95396245 1 [/CIF]
Ba2Li4Si2
Pmmn
59
orthorhombic
mmm
2,991.348315
false
[CIF] data_VHg2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16145322 _cell_length_b 4.16145322 _cell_length_c 5.09333729 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VHg2Sb _chemical_formula_sum 'V1 Hg2 Sb1' _cell_volume 88.20485104 _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 0.00000000 2.08072661 2.54666865 1 Hg Hg1 1 2.08072661 0.00000000 2.54666865 1 Sb Sb2 1 2.08072661 2.08072661 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2SbV
P4/mmm
123
tetragonal
4/mmm
10,803.857601
false
[CIF] data_KYBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70199006 _cell_length_b 5.70199006 _cell_length_c 5.70199006 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYBi _chemical_formula_sum 'K1 Y1 Bi1' _cell_volume 131.08843256 _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 2.01595792 2.01595792 2.01595792 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 4.03191584 4.03191584 4.03191584 1 [/CIF]
BiKY
F-43m
216
cubic
-43m
4,268.690984
false
[CIF] data_Sr2InRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25499160 _cell_length_b 5.25499160 _cell_length_c 4.04958974 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.05201893 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2InRu _chemical_formula_sum 'Sr2 In1 Ru1' _cell_volume 111.75745170 _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 In In0 1 3.64870753 -0.00000000 0.00000000 1 Ru Ru1 1 -0.00000000 -0.00000000 0.00000000 1 Sr Sr2 1 1.82435377 1.89089067 2.02479487 1 Sr Sr3 1 1.82435377 -1.89089067 2.02479487 1 [/CIF]
InRuSr2
Cmmm
65
orthorhombic
mmm
5,811.956822
false
[CIF] data_KAl2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25748240 _cell_length_b 3.46829327 _cell_length_c 8.33596404 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAl2Au _chemical_formula_sum 'K1 Al2 Au1' _cell_volume 94.17892385 _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 1.62874120 1.73414664 2.70299678 1 Al Al1 1 1.62874120 1.73414664 5.63296726 1 Au Au2 1 0.00000000 0.00000000 4.16798202 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2AuK
Pmmm
47
orthorhombic
mmm
5,113.699705
false
[CIF] data_Hf2ZrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24781294 _cell_length_b 5.12422195 _cell_length_c 5.54604022 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.16836704 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZrPb _chemical_formula_sum 'Hf2 Zr1 Pb1' _cell_volume 92.05589810 _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 0.18042593 2.56211097 0.27747076 1 Hf Hf1 1 1.92758685 0.00000000 1.11646414 1 Pb Pb2 1 1.82756312 2.56211097 2.99044869 1 Zr Zr3 1 0.33145120 0.00000000 3.91267083 1 [/CIF]
Hf2PbZr
Pm
6
monoclinic
m
11,822.42495
false
[CIF] data_LaCd2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47848334 _cell_length_b 3.47848334 _cell_length_c 7.60831288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCd2Ru _chemical_formula_sum 'La1 Cd2 Ru1' _cell_volume 92.05941681 _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 1.73924167 1.73924167 7.38776044 1 Cd Cd1 1 0.00000000 0.00000000 1.55958979 1 La La2 1 1.73924167 1.73924167 4.18156589 1 Ru Ru3 1 0.00000000 0.00000000 5.89186608 1 [/CIF]
Cd2LaRu
P4mm
99
tetragonal
4mm
8,383.871892
false
[CIF] data_HgSeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04141262 _cell_length_b 5.04141262 _cell_length_c 3.55624448 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgSeCl2 _chemical_formula_sum 'Hg1 Se1 Cl2' _cell_volume 90.38494499 _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 2.52070631 1.77812224 1 Cl Cl1 1 2.52070631 0.00000000 1.77812224 1 Hg Hg2 1 2.52070631 2.52070631 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2HgSe
P4/mmm
123
tetragonal
4/mmm
6,438.526673
false
[CIF] data_ScVBiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84666403 _cell_length_b 4.84666403 _cell_length_c 4.84666403 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScVBiPd _chemical_formula_sum 'Sc1 V1 Bi1 Pd1' _cell_volume 80.50331200 _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 5.14066350 5.14066350 5.14066350 1 Pd Pd1 1 3.42710900 3.42710900 3.42710900 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.71355450 1.71355450 1.71355450 1 [/CIF]
BiPdScV
F-43m
216
cubic
-43m
8,483.825918
false
[CIF] data_Ta2TiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05634856 _cell_length_b 3.05634856 _cell_length_c 8.73723554 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.81987464 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TiBr _chemical_formula_sum 'Ta2 Ti1 Br1' _cell_volume 75.76956607 _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 1.71306921 -0.00000000 2.33081153 1 Ta Ta1 1 0.00000000 0.00000000 8.61521498 1 Ta Ta2 1 1.71306921 -0.00000000 6.50455278 1 Ti Ti3 1 0.00000000 0.00000000 4.39250957 1 [/CIF]
BrTa2Ti
Cmm2
35
orthorhombic
mm2
10,731.363881
false
[CIF] data_ScHg2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06968857 _cell_length_b 3.94992584 _cell_length_c 6.89911249 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.42213589 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScHg2Te _chemical_formula_sum 'Sc1 Hg2 Te1' _cell_volume 106.37870457 _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 1.88658461 0.00000000 6.39944900 1 Hg Hg1 1 -0.14840058 1.97496292 5.13862557 1 Sc Sc2 1 -0.25530379 0.00000000 2.92184507 1 Te Te3 1 1.78034111 1.97496292 2.08423528 1 [/CIF]
Hg2ScTe
Pm
6
monoclinic
m
8,955.84224
false
[CIF] data_Li2ZnTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.62236326 _cell_length_b 9.62236326 _cell_length_c 9.62236326 _cell_angle_alpha 16.17921883 _cell_angle_beta 16.17921883 _cell_angle_gamma 16.17921883 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZnTc _chemical_formula_sum 'Li2 Zn1 Tc1' _cell_volume 60.30418562 _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 0.10780841 1 Li Li1 1 0.00000000 -0.00000000 7.01577356 1 Tc Tc2 1 0.00000000 -0.00000000 14.20020216 1 Zn Zn3 1 -0.00000000 -0.00000000 21.40138330 1 [/CIF]
Li2TcZn
R3m
160
trigonal
3m
4,906.048452
false
[CIF] data_Fe5Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10388727 _cell_length_b 6.90891485 _cell_length_c 6.90891485 _cell_angle_alpha 21.14585868 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe5Pd _chemical_formula_sum 'Fe5 Pd1' _cell_volume 70.66648910 _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 0.06298701 1 Fe Fe1 1 0.00000000 -0.00000000 9.01387518 1 Fe Fe2 1 0.00000000 0.00000000 4.39170172 1 Fe Fe3 1 2.05194363 0.00000000 7.66080332 1 Fe Fe4 1 2.05194363 0.00000000 2.97828765 1 Pd Pd5 1 2.05194363 0.00000000 12.11429897 1 [/CIF]
Fe5Pd
Amm2
38
orthorhombic
mm2
9,061.983927
false
[CIF] data_Ti5Al3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70302042 _cell_length_b 5.75999998 _cell_length_c 4.98830632 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Al3 _chemical_formula_sum 'Ti5 Al3' _cell_volume 135.13021280 _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 Al Al1 1 0.00000000 2.87999999 0.00000000 1 Al Al2 1 2.35151021 0.00000000 3.32553974 1 Ti Ti3 1 0.00000000 1.43999727 2.49415474 1 Ti Ti4 1 0.00000000 4.32000272 2.49415474 1 Ti Ti5 1 2.35151021 1.44000213 0.83138315 1 Ti Ti6 1 2.35151021 2.87999999 3.32553631 1 Ti Ti7 1 2.35151021 4.31999785 0.83138315 1 [/CIF]
Al3Ti5
Pmm2
25
orthorhombic
mm2
3,935.735786
false
[CIF] data_B2RuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88983740 _cell_length_b 3.23618699 _cell_length_c 4.91173723 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2RuPt _chemical_formula_sum 'B2 Ru1 Pt1' _cell_volume 45.93483278 _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 1.44491870 0.00000000 2.45586861 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 0.00000000 1.61809350 2.45586861 1 Ru Ru3 1 1.44491870 1.61809350 0.00000000 1 [/CIF]
B2PtRu
Pmmm
47
orthorhombic
mmm
11,487.566853
false
[CIF] data_CaCe2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70672460 _cell_length_b 5.70672460 _cell_length_c 5.70672460 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCe2Bi _chemical_formula_sum 'Ca1 Ce2 Bi1' _cell_volume 131.41524397 _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 4.03526366 4.03526366 4.03526366 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ce Ce2 1 6.05289549 6.05289549 6.05289549 1 Ce Ce3 1 2.01763183 2.01763183 2.01763183 1 [/CIF]
BiCaCe2
Fm-3m
225
cubic
m-3m
6,688.017008
false
[CIF] data_NaCrSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01119859 _cell_length_b 5.23547643 _cell_length_c 5.20859771 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.62504347 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCrSn2 _chemical_formula_sum 'Na1 Cr1 Sn2' _cell_volume 82.10896555 _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 1.45509466 2.61773822 2.41383379 1 Na Na1 1 1.99887461 0.00000000 4.09773396 1 Sn Sn2 1 0.38838798 2.61773822 4.95039468 1 Sn Sn3 1 0.53239112 0.00000000 1.55875705 1 [/CIF]
CrNaSn2
Pm
6
monoclinic
m
6,317.972065
false
[CIF] data_Ta2MnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59380411 _cell_length_b 4.30414092 _cell_length_c 4.38754347 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2MnSn _chemical_formula_sum 'Ta2 Mn1 Sn1' _cell_volume 67.86757246 _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 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 1.79690206 2.15207046 0.00000000 1 Ta Ta2 1 1.79690206 0.00000000 2.19377173 1 Ta Ta3 1 0.00000000 2.15207046 2.19377173 1 [/CIF]
MnSnTa2
Pmmm
47
orthorhombic
mmm
13,103.333122
false
[CIF] data_NbAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17321494 _cell_length_b 4.17321494 _cell_length_c 4.17321494 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAg _chemical_formula_sum 'Nb1 Ag1' _cell_volume 51.39220612 _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 1.47545429 1.47545429 1.47545429 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgNb
F-43m
216
cubic
-43m
6,487.248921
false