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_InNiBiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20184849 _cell_length_b 5.20184849 _cell_length_c 5.20184849 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InNiBiPb _chemical_formula_sum 'In1 Ni1 Bi1 Pb1' _cell_volume 99.53093814 _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 5.51739351 5.51739351 5.51739351 1 In In1 1 1.83913117 1.83913117 1.83913117 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.67826234 3.67826234 3.67826234 1 [/CIF]
BiInNiPb
F-43m
216
cubic
-43m
9,838.210003
false
[CIF] data_GdIn2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15579997 _cell_length_b 5.15579997 _cell_length_c 5.15579997 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdIn2Si _chemical_formula_sum 'Gd1 In2 Si1' _cell_volume 96.91102367 _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 Gd Gd0 1 3.64570112 3.64570112 3.64570112 1 In In1 1 1.82285056 1.82285056 1.82285056 1 In In2 1 5.46855168 5.46855168 5.46855168 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GdIn2Si
Fm-3m
225
cubic
m-3m
7,110.402524
false
[CIF] data_FeTc2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12416550 _cell_length_b 5.12416550 _cell_length_c 5.12416550 _cell_angle_alpha 146.64594585 _cell_angle_beta 129.79997996 _cell_angle_gamma 61.61470314 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeTc2Os _chemical_formula_sum 'Fe1 Tc2 Os1' _cell_volume 56.27112567 _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 4.39382606 1 Os Os1 1 0.00000000 2.17366886 2.03442449 1 Tc Tc2 1 -0.00000000 0.00000000 0.00150677 1 Tc Tc3 1 1.47051485 0.00000000 2.37247465 1 [/CIF]
FeOsTc2
Imm2
44
orthorhombic
mm2
13,098.944798
false
[CIF] data_TaIrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39170831 _cell_length_b 4.31052198 _cell_length_c 4.45466196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaIrW2 _chemical_formula_sum 'Ta1 Ir1 W2' _cell_volume 65.12730584 _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 1.69585415 2.15526099 0.00000000 1 Ta Ta1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 0.00000000 2.15526099 2.22733098 1 W W3 1 1.69585415 0.00000000 2.22733098 1 [/CIF]
IrTaW2
Pmmm
47
orthorhombic
mmm
18,889.187103
false
[CIF] data_Mn2ReGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39745382 _cell_length_b 8.39745382 _cell_length_c 8.39745382 _cell_angle_alpha 18.78675870 _cell_angle_beta 18.78675870 _cell_angle_gamma 18.78675870 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2ReGe _chemical_formula_sum 'Mn2 Re1 Ge1' _cell_volume 53.66419622 _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 Mn Mn1 1 -0.00000000 0.00000000 18.51608378 1 Mn Mn2 1 -0.00000000 0.00000000 6.22484784 1 Re Re3 1 -0.00000000 -0.00000000 12.37046581 1 [/CIF]
GeMn2Re
R-3m
166
trigonal
-3m
11,409.452456
false
[CIF] data_ScTaCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.41313830 _cell_length_b 10.41313830 _cell_length_c 10.41313830 _cell_angle_alpha 16.90202113 _cell_angle_beta 16.90202113 _cell_angle_gamma 16.90202113 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaCd2 _chemical_formula_sum 'Sc1 Ta1 Cd2' _cell_volume 83.25506217 _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 7.65379374 1 Cd Cd1 1 -0.00000000 -0.00000000 23.13252235 1 Sc Sc2 1 -0.00000000 -0.00000000 -0.00000000 1 Ta Ta3 1 -0.00000000 -0.00000000 15.39315805 1 [/CIF]
Cd2ScTa
R-3m
166
trigonal
-3m
8,989.817148
false
[CIF] data_LaMnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60786861 _cell_length_b 4.60786861 _cell_length_c 4.60786861 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnOs _chemical_formula_sum 'La1 Mn1 Os1' _cell_volume 69.18074950 _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 3.25825514 3.25825514 3.25825514 1 Mn Mn1 1 0.00000000 -0.00000000 0.00000000 1 Os Os2 1 4.88738271 4.88738271 4.88738271 1 [/CIF]
LaMnOs
F-43m
216
cubic
-43m
9,218.880697
false
[CIF] data_TaMn2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16527509 _cell_length_b 5.16527509 _cell_length_c 5.16527509 _cell_angle_alpha 143.98173318 _cell_angle_beta 131.84681551 _cell_angle_gamma 61.57741445 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMn2Sn _chemical_formula_sum 'Ta1 Mn2 Sn1' _cell_volume 59.72752967 _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 0.00516731 1 Mn Mn1 1 1.59694085 -0.00000000 2.14817823 1 Sn Sn2 1 -0.00000000 -0.00000000 4.38748020 1 Ta Ta3 1 -0.00000000 2.10721269 2.33374497 1 [/CIF]
Mn2SnTa
Imm2
44
orthorhombic
mm2
11,385.828341
false
[CIF] data_Cu2TcBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53502368 _cell_length_b 4.53502368 _cell_length_c 4.53502368 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2TcBi _chemical_formula_sum 'Cu2 Tc1 Bi1' _cell_volume 65.95134862 _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 3.20674600 3.20674600 3.20674600 1 Cu Cu1 1 4.81011900 4.81011900 4.81011900 1 Cu Cu2 1 1.60337300 1.60337300 1.60337300 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCu2Tc
Fm-3m
225
cubic
m-3m
10,951.996791
false
[CIF] data_InFe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51947348 _cell_length_b 4.51947348 _cell_length_c 3.31037157 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InFe2Te _chemical_formula_sum 'In1 Fe2 Te1' _cell_volume 67.61645973 _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 2.25973674 0.00000000 1.65518579 1 Fe Fe1 1 0.00000000 2.25973674 1.65518579 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 2.25973674 2.25973674 0.00000000 1 [/CIF]
Fe2InTe
P4/mmm
123
tetragonal
4/mmm
8,696.257836
false
[CIF] data_KVPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23394467 _cell_length_b 3.23394467 _cell_length_c 10.41676237 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KVPb2 _chemical_formula_sum 'K1 V1 Pb2' _cell_volume 108.94264808 _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 7.76338341 1 Pb Pb1 1 1.61697234 1.61697234 0.16661893 1 Pb Pb2 1 0.00000000 0.00000000 2.87848926 1 V V3 1 1.61697234 1.61697234 4.81665196 1 [/CIF]
KPb2V
P4mm
99
tetragonal
4mm
7,688.834533
false
[CIF] data_MgBeCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96787060 _cell_length_b 4.96787060 _cell_length_c 4.96787060 _cell_angle_alpha 139.44108799 _cell_angle_beta 139.44108799 _cell_angle_gamma 58.70291822 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBeCd _chemical_formula_sum 'Mg1 Be1 Cd1' _cell_volume 51.35209254 _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 0.02611335 1 Cd Cd1 1 -0.00000000 -0.00000000 5.69364894 1 Mg Mg2 1 0.00000000 0.00000000 2.94052168 1 [/CIF]
BeCdMg
I4mm
107
tetragonal
4mm
4,712.696621
false
[CIF] data_Hf2PtBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78100884 _cell_length_b 4.78100884 _cell_length_c 4.78100884 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2PtBr _chemical_formula_sum 'Hf2 Pt1 Br1' _cell_volume 77.27582345 _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 0.00000000 1 Hf Hf1 1 1.69034189 1.69034189 1.69034189 1 Hf Hf2 1 5.07102566 5.07102566 5.07102566 1 Pt Pt3 1 3.38068377 3.38068377 3.38068377 1 [/CIF]
BrHf2Pt
Fm-3m
225
cubic
m-3m
13,580.024203
false
[CIF] data_CdGa2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18269267 _cell_length_b 5.18269267 _cell_length_c 5.18269267 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGa2Te _chemical_formula_sum 'Cd1 Ga2 Te1' _cell_volume 98.43541357 _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 3.66471713 3.66471713 3.66471713 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 1.83235856 1.83235856 1.83235857 1 Te Te3 1 5.49707570 5.49707570 5.49707570 1 [/CIF]
CdGa2Te
F-43m
216
cubic
-43m
6,401.183779
false
[CIF] data_AsIrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76947540 _cell_length_b 7.76947540 _cell_length_c 7.76947540 _cell_angle_alpha 26.53985133 _cell_angle_beta 26.53985133 _cell_angle_gamma 26.53985133 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsIrSe2 _chemical_formula_sum 'As1 Ir1 Se2' _cell_volume 82.53937234 _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 11.41896412 1 Ir Ir1 1 0.00000000 0.00000000 5.64346233 1 Se Se2 1 0.00000000 -0.00000000 21.92716368 1 Se Se3 1 -0.00000000 -0.00000000 17.19741259 1 [/CIF]
AsIrSe2
R3m
160
trigonal
3m
8,551.390577
false
[CIF] data_Ca2LaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51933786 _cell_length_b 5.51933786 _cell_length_c 5.51933786 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2LaGe _chemical_formula_sum 'Ca2 La1 Ge1' _cell_volume 118.89016830 _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 Ca Ca1 1 1.95138061 1.95138061 1.95138061 1 Ge Ge2 1 3.90276123 3.90276123 3.90276123 1 La La3 1 5.85414185 5.85414185 5.85414185 1 [/CIF]
Ca2GeLa
F-43m
216
cubic
-43m
4,074.194642
false
[CIF] data_KCaGaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06234246 _cell_length_b 6.06234246 _cell_length_c 6.06234246 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaGaMo _chemical_formula_sum 'K1 Ca1 Ga1 Mo1' _cell_volume 157.54564365 _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 6.43008519 6.43008519 6.43008519 1 Ga Ga1 1 2.14336173 2.14336173 2.14336173 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 4.28672346 4.28672346 4.28672346 1 [/CIF]
CaGaKMo
F-43m
216
cubic
-43m
2,580.829429
false
[CIF] data_TaCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78191489 _cell_length_b 4.78191489 _cell_length_c 4.78191489 _cell_angle_alpha 113.08158688 _cell_angle_beta 113.08158688 _cell_angle_gamma 102.46933197 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCo2 _chemical_formula_sum 'Ta2 Co4' _cell_volume 83.24832025 _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 Co Co0 1 1.84161576 0.79486019 0.00000000 1 Co Co1 1 1.84161576 -0.79486019 2.99411075 1 Co Co2 1 0.79486019 3.43133614 0.00000000 1 Co Co3 1 0.79486019 1.84161576 2.99411074 1 Ta Ta4 1 0.00000000 0.00000000 1.49705537 1 Ta Ta5 1 -0.00000000 0.00000000 4.49116612 1 [/CIF]
Co4Ta2
I4/mcm
140
tetragonal
4/mmm
11,920.787531
false
[CIF] data_SiTcPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60828774 _cell_length_b 5.60828774 _cell_length_c 5.60828774 _cell_angle_alpha 145.90061766 _cell_angle_beta 145.90061766 _cell_angle_gamma 48.99440252 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiTcPb _chemical_formula_sum 'Si1 Tc1 Pb1' _cell_volume 55.19684387 _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 0.00000000 0.00000000 10.19159566 1 Si Si1 1 -0.00000000 0.00000000 7.21497285 1 Tc Tc2 1 -0.00000000 0.00000000 3.00718445 1 [/CIF]
PbSiTc
I4mm
107
tetragonal
4mm
10,053.829558
false
[CIF] data_HgC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79885235 _cell_length_b 3.79885235 _cell_length_c 3.79885235 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgC3 _chemical_formula_sum 'Hg1 C3' _cell_volume 42.20222529 _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 C C0 1 0.00000000 2.19326843 -0.00000000 1 C C1 1 0.00000000 0.00000000 2.19326843 1 C C2 1 2.19326843 0.00000000 0.00000000 1 Hg Hg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C3Hg
Im-3m
229
cubic
m-3m
9,310.415233
false
[CIF] data_Mg2AgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64556553 _cell_length_b 3.80094754 _cell_length_c 5.46786867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2AgP _chemical_formula_sum 'Mg2 Ag1 P1' _cell_volume 75.76608724 _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 1.82278276 1.90047377 4.30771543 1 Mg Mg1 1 0.00000000 0.00000000 5.24679459 1 Mg Mg2 1 1.82278276 1.90047377 1.63215524 1 P P3 1 0.00000000 0.00000000 2.48300646 1 [/CIF]
AgMg2P
Pmm2
25
orthorhombic
mm2
4,108.319663
false
[CIF] data_ScMnNbSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63277721 _cell_length_b 4.63277721 _cell_length_c 4.63277721 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMnNbSn _chemical_formula_sum 'Sc1 Mn1 Nb1 Sn1' _cell_volume 70.30872920 _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 1.63793409 1.63793409 1.63793409 1 Nb Nb1 1 4.91380227 4.91380227 4.91380227 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.27586818 3.27586818 3.27586818 1 [/CIF]
MnNbScSn
F-43m
216
cubic
-43m
7,357.195758
false
[CIF] data_BePbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45582045 _cell_length_b 4.44597212 _cell_length_c 5.69472264 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePbSe2 _chemical_formula_sum 'Be1 Pb1 Se2' _cell_volume 87.49645992 _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 Pb Pb1 1 1.72791023 2.22298606 0.00000000 1 Se Se2 1 1.72791023 0.00000000 2.84736132 1 Se Se3 1 0.00000000 2.22298606 2.84736132 1 [/CIF]
BePbSe2
Pmmm
47
orthorhombic
mmm
7,100.414175
false
[CIF] data_V2FeGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76198306 _cell_length_b 4.76198306 _cell_length_c 4.10964689 _cell_angle_alpha 114.48989830 _cell_angle_beta 114.48989830 _cell_angle_gamma 38.24511486 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2FeGe _chemical_formula_sum 'V2 Fe1 Ge1' _cell_volume 51.83968720 _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 3.64996606 -0.00000000 1.84427244 1 Ge Ge1 1 6.35469674 -0.00000000 0.97239515 1 V V2 1 7.13521438 -0.00000000 3.65368248 1 V V3 1 0.84851423 -0.00000000 2.76210291 1 [/CIF]
FeGeV2
Cm
8
monoclinic
m
7,379.193131
false
[CIF] data_MgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10910154 _cell_length_b 4.10910154 _cell_length_c 9.07905342 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBi _chemical_formula_sum 'Mg2 Bi2' _cell_volume 132.75929898 _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 Bi Bi0 1 2.05455077 1.18619544 4.80364409 1 Bi Bi1 1 0.00000000 2.37239088 0.26411738 1 Mg Mg2 1 2.05455077 1.18619544 7.64373815 1 Mg Mg3 1 0.00000000 2.37239088 3.10421144 1 [/CIF]
Bi2Mg2
P6_3mc
186
hexagonal
6mm
5,835.817499
false
[CIF] data_SiTc2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27874097 _cell_length_b 4.27874097 _cell_length_c 3.10677549 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiTc2Mo _chemical_formula_sum 'Si1 Tc2 Mo1' _cell_volume 56.87767842 _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 2.13937049 2.13937049 0.00000000 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 0.00000000 2.13937049 1.55338774 1 Tc Tc3 1 2.13937049 0.00000000 1.55338774 1 [/CIF]
MoSiTc2
P4/mmm
123
tetragonal
4/mmm
9,396.614484
false
[CIF] data_Cd2TcTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90266117 _cell_length_b 4.90266117 _cell_length_c 4.90266117 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2TcTe _chemical_formula_sum 'Cd2 Tc1 Te1' _cell_volume 83.32602049 _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 3.46670496 3.46670496 3.46670496 1 Cd Cd1 1 1.73335248 1.73335248 1.73335248 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 5.20005744 5.20005744 5.20005744 1 [/CIF]
Cd2TcTe
F-43m
216
cubic
-43m
8,994.16657
false
[CIF] data_CaNi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88989080 _cell_length_b 4.88989080 _cell_length_c 4.88989080 _cell_angle_alpha 138.31916401 _cell_angle_beta 119.06756245 _cell_angle_gamma 76.54384105 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNi2P _chemical_formula_sum 'Ca1 Ni2 P1' _cell_volume 66.23234259 _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 3.83895555 1 Ni Ni1 1 -0.00000000 2.47932262 2.46032227 1 Ni Ni2 1 1.73965848 0.00000000 1.37863328 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaNi2P
Immm
71
orthorhombic
mmm
4,724.422867
false
[CIF] data_Na2NbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.21478227 _cell_length_b 10.21478227 _cell_length_c 10.21478227 _cell_angle_alpha 18.39921083 _cell_angle_beta 18.39921083 _cell_angle_gamma 18.39921083 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2NbBr _chemical_formula_sum 'Na2 Nb1 Br1' _cell_volume 92.74839351 _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 -0.00000000 1 Na Na1 1 0.00000000 -0.00000000 7.91602258 1 Na Na2 1 -0.00000000 0.00000000 22.20162186 1 Nb Nb3 1 -0.00000000 -0.00000000 15.05882222 1 [/CIF]
BrNa2Nb
R-3m
166
trigonal
-3m
3,917.148246
false
[CIF] data_Hf2ScPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30138240 _cell_length_b 3.30138240 _cell_length_c 7.53361496 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ScPd _chemical_formula_sum 'Hf2 Sc1 Pd1' _cell_volume 82.10981681 _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 1.65069120 1.65069120 0.07158268 1 Hf Hf1 1 0.00000000 0.00000000 2.06326548 1 Pd Pd2 1 1.65069120 1.65069120 3.73584244 1 Sc Sc3 1 0.00000000 0.00000000 5.42973192 1 [/CIF]
Hf2PdSc
P4mm
99
tetragonal
4mm
10,280.68122
false
[CIF] data_TaAlReAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52909902 _cell_length_b 4.52909902 _cell_length_c 4.52909902 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAlReAu _chemical_formula_sum 'Ta1 Al1 Re1 Au1' _cell_volume 65.69320488 _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 1.60127832 1.60127832 1.60127832 1 Re Re2 1 4.80383495 4.80383495 4.80383495 1 Ta Ta3 1 3.20255663 3.20255663 3.20255663 1 [/CIF]
AlAuReTa
F-43m
216
cubic
-43m
14,941.417535
false
[CIF] data_Ti4AgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38315028 _cell_length_b 5.38315028 _cell_length_c 5.38315028 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4AgTe _chemical_formula_sum 'Ti4 Ag1 Te1' _cell_volume 110.30482637 _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 Te Te1 1 1.90323104 1.90323104 1.90323103 1 Ti Ti2 1 2.85483668 2.85483668 4.75808746 1 Ti Ti3 1 2.85483668 4.75808746 2.85483668 1 Ti Ti4 1 4.75808746 2.85483668 2.85483668 1 Ti Ti5 1 4.75808746 4.75808746 4.75808746 1 [/CIF]
AgTeTi4
F-43m
216
cubic
-43m
6,427.137074
false
[CIF] data_NiMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67996890 _cell_length_b 4.67996890 _cell_length_c 4.67996890 _cell_angle_alpha 146.26403646 _cell_angle_beta 132.18692352 _cell_angle_gamma 59.79090110 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiMoPd _chemical_formula_sum 'Ni1 Mo1 Pd1' _cell_volume 41.79683946 _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 8.05993810 1 Ni Ni1 1 -0.00000000 0.00000000 2.73861216 1 Pd Pd2 1 -0.00000000 0.00000000 5.43038994 1 [/CIF]
MoNiPd
Imm2
44
orthorhombic
mm2
10,372.137835
false
[CIF] data_Y2AlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09415068 _cell_length_b 5.09415068 _cell_length_c 5.09415068 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2AlZn _chemical_formula_sum 'Y2 Al1 Zn1' _cell_volume 93.47605223 _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 Y Y1 1 1.80105425 1.80105424 1.80105424 1 Y Y2 1 5.40316274 5.40316274 5.40316274 1 Zn Zn3 1 3.60210849 3.60210849 3.60210849 1 [/CIF]
AlY2Zn
Fm-3m
225
cubic
m-3m
4,799.445492
false
[CIF] data_SrLaTaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26380681 _cell_length_b 5.26380681 _cell_length_c 5.26380681 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaTaNi _chemical_formula_sum 'Sr1 La1 Ta1 Ni1' _cell_volume 103.12995468 _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 1.86103675 1.86103675 1.86103674 1 Ni Ni1 1 0.00000000 -0.00000000 0.00000000 1 Sr Sr2 1 5.58311024 5.58311024 5.58311024 1 Ta Ta3 1 3.72207349 3.72207349 3.72207349 1 [/CIF]
LaNiSrTa
F-43m
216
cubic
-43m
7,505.948221
false
[CIF] data_AsAu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44653750 _cell_length_b 6.44653750 _cell_length_c 6.44653750 _cell_angle_alpha 153.17285156 _cell_angle_beta 137.86879741 _cell_angle_gamma 50.65542572 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsAu2Cl _chemical_formula_sum 'As1 Au2 Cl1' _cell_volume 80.76404588 _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 5.82686885 1 Au Au1 1 1.49545721 0.00000000 3.40658483 1 Au Au2 1 0.00000000 2.31712168 2.42028402 1 Cl Cl3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsAu2Cl
Immm
71
orthorhombic
mmm
10,368.784559
false
[CIF] data_CdIrPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83197518 _cell_length_b 3.98761713 _cell_length_c 5.81071552 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdIrPt2 _chemical_formula_sum 'Cd1 Ir1 Pt2' _cell_volume 65.61943846 _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 2.88344573 1 Ir Ir1 1 1.41598759 1.99380856 4.49648902 1 Pt Pt2 1 0.00000000 0.00000000 5.73035931 1 Pt Pt3 1 1.41598759 1.99380856 1.41649474 1 [/CIF]
CdIrPt2
Pmm2
25
orthorhombic
mm2
17,582.227589
false
[CIF] data_Cr2AgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70097854 _cell_length_b 4.70097854 _cell_length_c 4.74262611 _cell_angle_alpha 100.04490481 _cell_angle_beta 100.04490481 _cell_angle_gamma 34.51782878 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2AgIr _chemical_formula_sum 'Cr2 Ag1 Ir1' _cell_volume 58.39191050 _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 Cr Cr1 1 1.59714733 0.00000000 3.17830634 1 Cr Cr2 1 6.51526450 -0.00000000 1.48454485 1 Ir Ir3 1 4.05620592 -0.00000000 2.33142560 1 [/CIF]
AgCr2Ir
C2/m
12
monoclinic
2/m
11,491.083317
false
[CIF] data_SrTe4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48698163 _cell_length_b 6.48698163 _cell_length_c 6.48698163 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTe4Mo _chemical_formula_sum 'Sr1 Te4 Mo1' _cell_volume 193.02475346 _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 6.88048305 6.88048305 6.88048305 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 5.72783906 5.72783906 3.44613834 1 Te Te3 1 5.72783906 3.44613834 5.72783906 1 Te Te4 1 3.44613834 5.72783906 5.72783906 1 Te Te5 1 3.44613834 3.44613834 3.44613834 1 [/CIF]
MoSrTe4
F-43m
216
cubic
-43m
5,970.119794
false
[CIF] data_ZnInOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83093865 _cell_length_b 2.83093865 _cell_length_c 8.98552436 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.35098348 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnInOs2 _chemical_formula_sum 'Zn1 In1 Os2' _cell_volume 63.96161090 _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 0.00000000 0.00000000 4.49276218 1 Os Os1 1 1.47176129 0.00000000 6.84295213 1 Os Os2 1 1.47176129 0.00000000 2.14257223 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InOs2Zn
Cmmm
65
orthorhombic
mmm
14,555.520084
false
[CIF] data_Ag2SnAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92782521 _cell_length_b 4.92782521 _cell_length_c 4.92782521 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2SnAs _chemical_formula_sum 'Ag2 Sn1 As1' _cell_volume 84.61568727 _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 3.48449862 3.48449862 3.48449862 1 Ag Ag1 1 5.22674793 5.22674793 5.22674793 1 As As2 1 0.00000000 -0.00000000 0.00000000 1 Sn Sn3 1 1.74224931 1.74224931 1.74224931 1 [/CIF]
Ag2AsSn
F-43m
216
cubic
-43m
8,033.635116
false
[CIF] data_TaTi2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89825364 _cell_length_b 4.32255764 _cell_length_c 5.90028034 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi2Cl _chemical_formula_sum 'Ta1 Ti2 Cl1' _cell_volume 73.91793571 _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 2.31710033 1 Ta Ta1 1 1.44912682 2.16127882 4.85440792 1 Ti Ti2 1 0.00000000 0.00000000 5.83848446 1 Ti Ti3 1 1.44912682 2.16127882 1.74070814 1 [/CIF]
ClTaTi2
Pmm2
25
orthorhombic
mm2
7,011.99455
false
[CIF] data_Li(CdSb)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72116261 _cell_length_b 7.72116261 _cell_length_c 7.72116261 _cell_angle_alpha 146.57218437 _cell_angle_beta 146.57218437 _cell_angle_gamma 47.99765345 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li(CdSb)2 _chemical_formula_sum 'Li1 Cd2 Sb2' _cell_volume 139.12297766 _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 2.22055240 3.52684867 1 Cd Cd1 1 2.22055240 -0.00000000 3.52684867 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 8.59974534 1 Sb Sb4 1 -0.00000000 0.00000000 5.50764934 1 [/CIF]
Cd2LiSb2
I4/mmm
139
tetragonal
4/mmm
5,672.865852
false
[CIF] data_SrZnReNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70762446 _cell_length_b 4.70762446 _cell_length_c 4.70762446 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnReNi _chemical_formula_sum 'Sr1 Zn1 Re1 Ni1' _cell_volume 73.77180926 _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 Re Re1 1 4.99318977 4.99318977 4.99318977 1 Sr Sr2 1 1.66439659 1.66439659 1.66439659 1 Zn Zn3 1 3.32879318 3.32879318 3.32879318 1 [/CIF]
NiReSrZn
F-43m
216
cubic
-43m
8,956.390869
false
[CIF] data_Sr2NbAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67970095 _cell_length_b 5.67970095 _cell_length_c 3.88403467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2NbAg _chemical_formula_sum 'Sr2 Nb1 Ag1' _cell_volume 125.29508563 _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 2.83985048 2.83985048 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 0.00000000 2.83985048 1.94201734 1 Sr Sr3 1 2.83985048 0.00000000 1.94201734 1 [/CIF]
AgNbSr2
P4/mmm
123
tetragonal
4/mmm
4,983.331282
false
[CIF] data_Na2GaFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23568141 _cell_length_b 3.23568141 _cell_length_c 8.38260784 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2GaFe _chemical_formula_sum 'Na2 Ga1 Fe1' _cell_volume 87.76283762 _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 4.92383462 1 Ga Ga1 1 1.61784071 1.61784071 5.50582031 1 Na Na2 1 0.00000000 0.00000000 7.91786349 1 Na Na3 1 1.61784071 1.61784071 2.60900119 1 [/CIF]
FeGaNa2
P4mm
99
tetragonal
4mm
3,245.808788
false
[CIF] data_NaLiTaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44249755 _cell_length_b 4.44249755 _cell_length_c 4.44249755 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiTaNi _chemical_formula_sum 'Na1 Li1 Ta1 Ni1' _cell_volume 61.99641715 _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 Na Na1 1 4.71198021 4.71198021 4.71198021 1 Ni Ni2 1 3.14132014 3.14132014 3.14132014 1 Ta Ta3 1 1.57066007 1.57066007 1.57066007 1 [/CIF]
LiNaNiTa
F-43m
216
cubic
-43m
7,220.335298
false
[CIF] data_BeCuBi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41710815 _cell_length_b 6.41710815 _cell_length_c 6.41710815 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCuBi4 _chemical_formula_sum 'Be1 Cu1 Bi4' _cell_volume 186.85429231 _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 Bi Bi1 1 3.40355391 5.67160747 5.67160747 1 Bi Bi2 1 5.67160747 5.67160747 3.40355391 1 Bi Bi3 1 5.67160747 3.40355391 5.67160747 1 Bi Bi4 1 3.40355391 3.40355391 3.40355391 1 Cu Cu5 1 6.80637103 6.80637103 6.80637104 1 [/CIF]
BeBi4Cu
F-43m
216
cubic
-43m
8,073.489512
false
[CIF] data_Y2NbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32524689 _cell_length_b 3.32524689 _cell_length_c 8.84422536 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.29094177 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2NbCl _chemical_formula_sum 'Y2 Nb1 Cl1' _cell_volume 95.90023860 _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 Nb Nb1 1 0.00000000 0.00000000 4.42211268 1 Y Y2 1 2.10859578 0.00000000 6.56842451 1 Y Y3 1 2.10859578 0.00000000 2.27580085 1 [/CIF]
ClNbY2
Cmmm
65
orthorhombic
mmm
5,301.436647
false
[CIF] data_Ta2TlSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95368057 _cell_length_b 4.95368057 _cell_length_c 5.89270667 _cell_angle_alpha 99.62456267 _cell_angle_beta 99.62456267 _cell_angle_gamma 37.72791091 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TlSe _chemical_formula_sum 'Ta2 Tl1 Se1' _cell_volume 87.09104515 _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 Se Se0 1 6.69461784 -0.00000000 0.80968941 1 Ta Ta1 1 9.27941535 -0.00000000 0.16674331 1 Ta Ta2 1 1.67356482 -0.00000000 4.62247652 1 Tl Tl3 1 4.22877240 0.00000000 3.10109583 1 [/CIF]
SeTa2Tl
Cm
8
monoclinic
m
12,302.581334
false
[CIF] data_ZrGa2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32663345 _cell_length_b 4.32663345 _cell_length_c 4.32382618 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGa2Se _chemical_formula_sum 'Zr1 Ga2 Se1' _cell_volume 80.94097545 _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 2.16331673 0.00000000 2.16191309 1 Ga Ga1 1 0.00000000 2.16331673 2.16191309 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 2.16331673 2.16331673 0.00000000 1 [/CIF]
Ga2SeZr
P4/mmm
123
tetragonal
4/mmm
6,352.193167
false
[CIF] data_TiVBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64870619 _cell_length_b 4.64870619 _cell_length_c 4.64870619 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiVBr2 _chemical_formula_sum 'Ti1 V1 Br2' _cell_volume 71.03645782 _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 1.64356584 1.64356583 1.64356583 1 Br Br1 1 4.93069751 4.93069751 4.93069751 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 3.28713167 3.28713167 3.28713167 1 [/CIF]
Br2TiV
Fm-3m
225
cubic
m-3m
6,045.385915
false
[CIF] data_BaNbIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87631560 _cell_length_b 4.87631560 _cell_length_c 4.87631560 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNbIr2 _chemical_formula_sum 'Ba1 Nb1 Ir2' _cell_volume 81.98991203 _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 3.44807583 3.44807583 3.44807583 1 Ir Ir1 1 1.72403792 1.72403792 1.72403792 1 Ir Ir2 1 5.17211375 5.17211375 5.17211375 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaIr2Nb
Fm-3m
225
cubic
m-3m
12,448.838793
false
[CIF] data_BaPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00024497 _cell_length_b 6.00024497 _cell_length_c 6.00024497 _cell_angle_alpha 143.01332455 _cell_angle_beta 143.01332455 _cell_angle_gamma 53.30530632 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPdAu _chemical_formula_sum 'Ba1 Pd1 Au1' _cell_volume 77.70165498 _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 0.40750321 1 Ba Ba1 1 -0.00000000 0.00000000 3.59357249 1 Pd Pd2 1 -0.00000000 -0.00000000 6.72427076 1 [/CIF]
AuBaPd
I4mm
107
tetragonal
4mm
9,418.359219
false
[CIF] data_HfBOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83417301 _cell_length_b 4.83417301 _cell_length_c 4.83417301 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBOs3 _chemical_formula_sum 'Hf1 B1 Os3' _cell_volume 112.97089460 _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 2.41708650 2.41708650 2.41708650 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 2.41708650 0.00000000 2.41708650 1 Os Os3 1 2.41708650 2.41708650 0.00000000 1 Os Os4 1 0.00000000 2.41708650 2.41708650 1 [/CIF]
BHfOs3
Pm-3m
221
cubic
m-3m
11,170.972402
false
[CIF] data_Sc2NiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89640689 _cell_length_b 3.89640689 _cell_length_c 6.36442300 _cell_angle_alpha 104.25560026 _cell_angle_beta 104.25560026 _cell_angle_gamma 54.02928309 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2NiPd _chemical_formula_sum 'Sc2 Ni1 Pd1' _cell_volume 75.15333909 _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 Pd Pd1 1 2.59168748 -0.00000000 3.05823502 1 Sc Sc2 1 0.43383837 -0.00000000 4.71798112 1 Sc Sc3 1 4.74953660 -0.00000000 1.39848892 1 [/CIF]
NiPdSc2
C2/m
12
monoclinic
2/m
5,634.870686
false
[CIF] data_Li2HgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93128789 _cell_length_b 4.07732495 _cell_length_c 5.56219891 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2HgPd _chemical_formula_sum 'Li2 Hg1 Pd1' _cell_volume 66.47836263 _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 1.46564395 2.03866247 4.20832727 1 Li Li1 1 0.00000000 0.00000000 5.53225376 1 Li Li2 1 1.46564395 2.03866247 1.50113586 1 Pd Pd3 1 0.00000000 0.00000000 2.66378039 1 [/CIF]
HgLi2Pd
Pmm2
25
orthorhombic
mm2
8,015.445644
false
[CIF] data_TaNbPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22796880 _cell_length_b 5.22796880 _cell_length_c 5.22796880 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbPt4 _chemical_formula_sum 'Ta1 Nb1 Pt4' _cell_volume 101.03781908 _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 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 4.62118453 4.62118453 2.77227985 1 Pt Pt2 1 4.62118453 2.77227985 4.62118453 1 Pt Pt3 1 2.77227985 4.62118453 4.62118453 1 Pt Pt4 1 2.77227985 2.77227985 2.77227985 1 Ta Ta5 1 5.54509828 5.54509828 5.54509828 1 [/CIF]
NbPt4Ta
F-43m
216
cubic
-43m
17,325.434439
false
[CIF] data_CaFeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61839544 _cell_length_b 3.98946999 _cell_length_c 4.36438955 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaFeP2 _chemical_formula_sum 'Ca1 Fe1 P2' _cell_volume 63.00205815 _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 1.80919772 0.00000000 2.18219478 1 Fe Fe1 1 1.80919772 1.99473499 0.00000000 1 P P2 1 0.00000000 1.99473499 2.18219478 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaFeP2
Pmmm
47
orthorhombic
mmm
4,160.977915
false
[CIF] data_TiTePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87984431 _cell_length_b 4.87984431 _cell_length_c 4.87984431 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTePb _chemical_formula_sum 'Ti1 Te1 Pb1' _cell_volume 82.16803471 _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 1.72528550 1.72528550 1.72528550 1 Te Te1 1 5.17585650 5.17585650 5.17585650 1 Ti Ti2 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
PbTeTi
F-43m
216
cubic
-43m
7,733.341867
false
[CIF] data_Zr2CrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70249995 _cell_length_b 5.70249995 _cell_length_c 4.86925969 _cell_angle_alpha 113.52616184 _cell_angle_beta 113.52616184 _cell_angle_gamma 34.79250105 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2CrPb _chemical_formula_sum 'Zr2 Cr1 Pb1' _cell_volume 82.06600758 _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 4.52093047 -0.00000000 2.16326750 1 Pb Pb1 1 7.89002838 -0.00000000 1.26414352 1 Zr Zr2 1 8.81447049 0.00000000 4.42048405 1 Zr Zr3 1 0.89086659 0.00000000 3.20908009 1 [/CIF]
CrPbZr2
Cm
8
monoclinic
m
8,936.309968
false
[CIF] data_CaLaInHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47674691 _cell_length_b 5.47674691 _cell_length_c 5.47674691 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaInHg _chemical_formula_sum 'Ca1 La1 In1 Hg1' _cell_volume 116.15904109 _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 Hg Hg1 1 5.80896732 5.80896732 5.80896732 1 In In2 1 3.87264488 3.87264488 3.87264488 1 La La3 1 1.93632244 1.93632244 1.93632244 1 [/CIF]
CaHgInLa
F-43m
216
cubic
-43m
7,067.520035
false
[CIF] data_SnO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63177200 _cell_length_b 4.63177200 _cell_length_c 3.04363500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnO _chemical_formula_sum 'Sn2 O2' _cell_volume 65.29605084 _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 Sn Sn0 1 2.31588600 2.31588600 0.00000000 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 0.00000000 2.31588600 0.05099306 1 O O3 1 2.31588600 0.00000000 2.99264194 1 [/CIF]
O2Sn2
P4/nmm
129
tetragonal
4/mmm
6,851.569688
false
[CIF] data_TaSb4Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09646183 _cell_length_b 6.09646183 _cell_length_c 6.09646183 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSb4Cl _chemical_formula_sum 'Ta1 Sb4 Cl1' _cell_volume 160.22068304 _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 Sb Sb1 1 5.38687380 5.38687380 3.23482520 1 Sb Sb2 1 5.38687380 3.23482520 5.38687380 1 Sb Sb3 1 3.23482520 5.38687380 5.38687380 1 Sb Sb4 1 3.23482520 3.23482520 3.23482520 1 Ta Ta5 1 6.46627425 6.46627425 6.46627425 1 [/CIF]
ClSb4Ta
F-43m
216
cubic
-43m
7,290.51356
false
[CIF] data_SiMo3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43857162 _cell_length_b 4.43857162 _cell_length_c 4.43857162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiMo3Pt _chemical_formula_sum 'Si1 Mo3 Pt1' _cell_volume 87.44393564 _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 2.21928581 0.00000000 1 Mo Mo1 1 0.00000000 0.00000000 2.21928581 1 Mo Mo2 1 2.21928581 0.00000000 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 Pt Pt4 1 2.21928581 2.21928581 2.21928581 1 [/CIF]
Mo3PtSi
Pm-3m
221
cubic
m-3m
9,704.70569
false
[CIF] data_CaNiBi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44917844 _cell_length_b 6.44917844 _cell_length_c 6.44917844 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNiBi4 _chemical_formula_sum 'Ca1 Ni1 Bi4' _cell_volume 189.66979861 _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 3.42280906 3.42280906 5.69770656 1 Bi Bi1 1 3.42280906 5.69770656 3.42280906 1 Bi Bi2 1 5.69770656 3.42280906 3.42280906 1 Bi Bi3 1 5.69770656 5.69770656 5.69770656 1 Ca Ca4 1 0.00000000 0.00000000 0.00000000 1 Ni Ni5 1 2.28012891 2.28012891 2.28012891 1 [/CIF]
Bi4CaNi
F-43m
216
cubic
-43m
8,183.138555
false
[CIF] data_Co4PdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72558205 _cell_length_b 4.72558205 _cell_length_c 4.72558205 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co4PdRu _chemical_formula_sum 'Co4 Pd1 Ru1' _cell_volume 74.61925792 _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 2.50540653 4.17757569 2.50540653 1 Co Co1 1 4.17757569 2.50540653 2.50540653 1 Co Co2 1 4.17757569 4.17757569 4.17757569 1 Co Co3 1 2.50540653 2.50540653 4.17757569 1 Pd Pd4 1 1.67074556 1.67074556 1.67074555 1 Ru Ru5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co4PdRu
F-43m
216
cubic
-43m
9,863.254633
false
[CIF] data_Tl2TcHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13213695 _cell_length_b 5.13213695 _cell_length_c 5.13213695 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2TcHg _chemical_formula_sum 'Tl2 Tc1 Hg1' _cell_volume 95.58279220 _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 1.81448442 1.81448442 1.81448442 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.44345326 5.44345326 5.44345326 1 Tl Tl3 1 3.62896884 3.62896884 3.62896884 1 [/CIF]
HgTcTl2
F-43m
216
cubic
-43m
12,304.495628
false
[CIF] data_TaSnOsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56984620 _cell_length_b 4.56984620 _cell_length_c 4.56984620 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSnOsRh _chemical_formula_sum 'Ta1 Sn1 Os1 Rh1' _cell_volume 67.48228120 _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 Os Os0 1 1.61568462 1.61568462 1.61568462 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 4.84705386 4.84705386 4.84705386 1 Ta Ta3 1 3.23136924 3.23136924 3.23136924 1 [/CIF]
OsRhSnTa
F-43m
216
cubic
-43m
14,586.889304
false
[CIF] data_ZrTe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26538083 _cell_length_b 3.26538083 _cell_length_c 11.03602366 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTe2Cl _chemical_formula_sum 'Zr1 Te2 Cl1' _cell_volume 117.67394152 _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 7.26454336 1 Te Te1 1 1.63269042 1.63269042 10.84751888 1 Te Te2 1 0.00000000 0.00000000 3.76931525 1 Zr Zr3 1 1.63269042 1.63269042 5.70868176 1 [/CIF]
ClTe2Zr
P4mm
99
tetragonal
4mm
5,388.802898
false
[CIF] data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20782100 _cell_length_b 3.20782100 _cell_length_c 1.27864927 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C1 _cell_volume 11.39468485 _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 C C0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C3
P6/mmm
191
hexagonal
6/mmm
1,750.310501
false
[CIF] data_TaSiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24939790 _cell_length_b 4.24939790 _cell_length_c 4.24939790 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSiRh _chemical_formula_sum 'Ta1 Si1 Rh1' _cell_volume 54.25842694 _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 3.00477807 3.00477807 3.00477807 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.50716710 4.50716710 4.50716710 1 [/CIF]
RhSiTa
F-43m
216
cubic
-43m
9,546.658941
false
[CIF] data_ZnCrB3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86672498 _cell_length_b 3.86672498 _cell_length_c 3.86672498 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCrB3 _chemical_formula_sum 'Zn1 Cr1 B3' _cell_volume 57.81357855 _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 Zn Zn1 1 1.93336249 1.93336249 1.93336249 1 B B2 1 0.00000000 1.93336249 0.00000000 1 B B3 1 0.00000000 0.00000000 1.93336249 1 B B4 1 1.93336249 0.00000000 0.00000000 1 [/CIF]
B3CrZn
Pm-3m
221
cubic
m-3m
4,302.862222
false
[CIF] data_TiTeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.18373460 _cell_length_b 7.18373460 _cell_length_c 7.18373460 _cell_angle_alpha 154.01944690 _cell_angle_beta 154.01944690 _cell_angle_gamma 37.07133945 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTeSe _chemical_formula_sum 'Ti1 Te1 Se1' _cell_volume 71.04183832 _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 Se Se0 1 -0.00000000 0.00000000 0.68859988 1 Te Te1 1 -0.00000000 0.00000000 4.07783204 1 Ti Ti2 1 0.00000000 -0.00000000 8.85573833 1 [/CIF]
SeTeTi
I4mm
107
tetragonal
4mm
5,947.002323
false
[CIF] data_LiVFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46306395 _cell_length_b 2.46306395 _cell_length_c 8.45758548 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.24614373 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVFe2 _chemical_formula_sum 'Li1 V1 Fe2' _cell_volume 48.44187270 _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 1.42599799 0.00000000 6.25983199 1 Fe Fe1 1 1.42599799 0.00000000 2.19775349 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 0.00000000 0.00000000 4.22879274 1 [/CIF]
Fe2LiV
Cmmm
65
orthorhombic
mmm
5,812.776121
false
[CIF] data_K2NaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85237554 _cell_length_b 3.85237554 _cell_length_c 10.86971817 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NaAs _chemical_formula_sum 'K2 Na1 As1' _cell_volume 161.31528397 _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 5.43485908 1 K K1 1 1.92618777 1.92618777 7.38066625 1 K K2 1 1.92618777 1.92618777 3.48905192 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsK2Na
P4/mmm
123
tetragonal
4/mmm
1,812.811903
false
[CIF] data_InOsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97291136 _cell_length_b 2.97291136 _cell_length_c 8.06117292 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InOsAu2 _chemical_formula_sum 'In1 Os1 Au2' _cell_volume 71.24627426 _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 7.94157349 1 Au Au1 1 1.48645568 1.48645568 1.99691883 1 In In2 1 0.00000000 0.00000000 4.15700193 1 Os Os3 1 1.48645568 1.48645568 6.05743804 1 [/CIF]
Au2InOs
P4mm
99
tetragonal
4mm
16,291.174501
false
[CIF] data_CaSnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66659992 _cell_length_b 4.66659992 _cell_length_c 8.34299989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSnP _chemical_formula_sum 'Ca2 Sn2 P2' _cell_volume 157.34538481 _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 Ca Ca0 1 0.00000000 0.00000000 4.17149994 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 2.33329996 1.34713136 6.25724992 1 P P3 1 -0.00000000 2.69426272 2.08574997 1 Sn Sn4 1 2.33329996 1.34713136 2.08574997 1 Sn Sn5 1 -0.00000000 2.69426272 6.25724992 1 [/CIF]
Ca2P2Sn2
P6_3/mmc
194
hexagonal
6/mmm
4,005.288358
false
[CIF] data_CoH4(C2O)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61222277 _cell_length_b 5.81259672 _cell_length_c 13.69344789 _cell_angle_alpha 88.31310555 _cell_angle_beta 89.37753811 _cell_angle_gamma 70.95683272 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoH4(C2O)4 _chemical_formula_sum 'Co2 H8 C16 O8' _cell_volume 346.86613725 _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 Co Co0 1 4.11617028 1.60067621 7.57593496 1 Co Co1 1 2.54135185 4.26890625 6.11156631 1 H H2 1 0.95575152 2.69407625 11.21381742 1 H H3 1 2.56759581 0.69391751 11.12827061 1 H H4 1 5.70177061 3.17550621 2.47368385 1 H H5 1 4.08992632 5.17566495 2.55923066 1 H H6 1 1.87982471 3.58144767 13.36743062 1 H H7 1 3.60183437 5.34939824 13.32375116 1 H H8 1 4.77769742 2.28813479 0.32007065 1 H H9 1 3.05568776 0.52018422 0.36375012 1 C C10 1 1.61991014 3.25406390 8.77000844 1 C C11 1 3.72306161 5.58363703 8.71343441 1 C C12 1 5.03761199 2.61551856 4.91749284 1 C C13 1 2.93446052 0.28594543 4.97406686 1 C C14 1 2.19525062 3.92574499 9.97707997 1 C C15 1 3.19061149 4.92964462 9.95127766 1 C C16 1 4.46227151 1.94383747 3.71042131 1 C C17 1 3.46691064 0.93993784 3.73622361 1 C C18 1 1.72964691 3.45985869 11.21577165 1 C C19 1 3.69172911 5.42204397 11.16613377 1 C C20 1 4.92787522 2.40972377 2.47172962 1 C C21 1 2.96579303 0.44753849 2.52136751 1 C C22 1 2.23814919 3.95938517 12.41153013 1 C C23 1 3.21638350 4.95027509 12.38640535 1 C C24 1 4.41937294 1.91019729 1.27597114 1 C C25 1 3.44113863 0.91930737 1.30109593 1 O O26 1 5.05760900 2.79235606 8.89305379 1 O O27 1 3.00851285 0.54148285 8.79527389 1 O O28 1 1.59991313 3.07722640 4.79444748 1 O O29 1 3.64900928 5.32809961 4.89222739 1 O O30 1 2.32811035 3.08757128 7.70311527 1 O O31 1 1.08529753 0.24434593 7.67282511 1 O O32 1 4.32941178 2.78201118 5.98438600 1 O O33 1 5.57222460 5.62523653 6.01467617 1 [/CIF]
C16H8Co2O8
P-1
2
triclinic
-1
2,135.579899
false
[CIF] data_BaSrGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32185930 _cell_length_b 6.32185930 _cell_length_c 6.32185930 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrGa _chemical_formula_sum 'Ba1 Sr1 Ga1' _cell_volume 178.65677070 _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 2.23511479 2.23511479 2.23511479 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 6.70534437 6.70534437 6.70534437 1 [/CIF]
BaGaSr
F-43m
216
cubic
-43m
2,738.83293
false
[CIF] data_BaCoNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60027400 _cell_length_b 4.60027400 _cell_length_c 4.60027400 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCoNi2 _chemical_formula_sum 'Ba1 Co1 Ni2' _cell_volume 68.83924542 _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 1.62644247 1.62644247 1.62644247 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.87932741 4.87932741 4.87932741 1 Ni Ni3 1 3.25288494 3.25288494 3.25288494 1 [/CIF]
BaCoNi2
F-43m
216
cubic
-43m
7,565.787294
false
[CIF] data_Al2VCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.65743574 _cell_length_b 2.65743574 _cell_length_c 7.81984513 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2VCr _chemical_formula_sum 'Al2 V1 Cr1' _cell_volume 55.22347036 _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 1.32871787 1.32871787 2.01404279 1 Al Al1 1 1.32871787 1.32871787 5.80580234 1 Cr Cr2 1 0.00000000 0.00000000 3.90992257 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2CrV
P4/mmm
123
tetragonal
4/mmm
4,717.916175
false
[CIF] data_HgPdPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13921431 _cell_length_b 5.13921431 _cell_length_c 3.71061567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgPdPb2 _chemical_formula_sum 'Hg1 Pd1 Pb2' _cell_volume 98.00301380 _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 2.56960715 2.56960715 0.00000000 1 Pb Pb1 1 2.56960715 0.00000000 1.85530784 1 Pb Pb2 1 0.00000000 2.56960715 1.85530784 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgPb2Pd
P4/mmm
123
tetragonal
4/mmm
12,223.723854
false
[CIF] data_MgHgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17765697 _cell_length_b 4.17765697 _cell_length_c 3.88802859 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgHgPt2 _chemical_formula_sum 'Mg1 Hg1 Pt2' _cell_volume 67.85705442 _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 2.08882849 2.08882849 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 0.00000000 2.08882849 1.94401429 1 Pt Pt3 1 2.08882849 0.00000000 1.94401429 1 [/CIF]
HgMgPt2
P4/mmm
123
tetragonal
4/mmm
15,051.289046
false
[CIF] data_BaTa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11309640 _cell_length_b 5.11309640 _cell_length_c 3.12901553 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTa2 _chemical_formula_sum 'Ba1 Ta2' _cell_volume 70.84452826 _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 Ta Ta1 1 2.55654820 1.47602379 1.93362602 1 Ta Ta2 1 -0.00000000 2.95204759 1.19538951 1 [/CIF]
BaTa2
P-3m1
164
trigonal
-3m
11,701.382122
false
[CIF] data_HfReHgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84389725 _cell_length_b 4.84389725 _cell_length_c 4.84389725 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfReHgBi _chemical_formula_sum 'Hf1 Re1 Hg1 Bi1' _cell_volume 80.36552158 _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 1.71257630 1.71257630 1.71257629 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 5.13772889 5.13772889 5.13772889 1 Re Re3 1 3.42515259 3.42515259 3.42515259 1 [/CIF]
BiHfHgRe
F-43m
216
cubic
-43m
15,998.169866
false
[CIF] data_Hf2CrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47158567 _cell_length_b 5.47158567 _cell_length_c 5.47158567 _cell_angle_alpha 146.00066642 _cell_angle_beta 131.61705239 _cell_angle_gamma 60.44934673 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2CrOs _chemical_formula_sum 'Hf2 Cr1 Os1' _cell_volume 67.83098450 _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 2.48587060 1 Hf Hf1 1 1.59970640 -0.00000000 0.08065043 1 Hf Hf2 1 -0.00000000 -0.00000000 6.99750079 1 Os Os3 1 1.59970640 0.00000000 4.61928213 1 [/CIF]
CrHf2Os
Imm2
44
orthorhombic
mm2
14,668.888345
false
[CIF] data_TlSn2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61513627 _cell_length_b 4.83671382 _cell_length_c 5.19192445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSn2Sb _chemical_formula_sum 'Tl1 Sn2 Sb1' _cell_volume 115.89462239 _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 2.30756813 0.00000000 2.59596223 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 0.00000000 2.41835691 2.59596223 1 Tl Tl3 1 2.30756813 2.41835691 0.00000000 1 [/CIF]
SbSn2Tl
Pmmm
47
orthorhombic
mmm
8,074.739422
false
[CIF] data_HfSiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09936169 _cell_length_b 5.09936169 _cell_length_c 5.09936169 _cell_angle_alpha 141.69630419 _cell_angle_beta 141.69630419 _cell_angle_gamma 55.28653063 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSiMo _chemical_formula_sum 'Hf1 Si1 Mo1' _cell_volume 50.57198047 _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 9.03083485 1 Mo Mo1 1 0.00000000 -0.00000000 2.84252545 1 Si Si2 1 -0.00000000 -0.00000000 6.19578895 1 [/CIF]
HfMoSi
I4mm
107
tetragonal
4mm
9,933.801525
false
[CIF] data_MnCoMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28858498 _cell_length_b 4.28858498 _cell_length_c 4.28858498 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCoMoW _chemical_formula_sum 'Mn1 Co1 Mo1 W1' _cell_volume 55.77339256 _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 1.51624376 1.51624376 1.51624376 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 3.03248752 3.03248752 3.03248752 1 W W3 1 4.54873128 4.54873128 4.54873128 1 [/CIF]
CoMnMoW
F-43m
216
cubic
-43m
11,720.758653
false
[CIF] data_NaSiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38512842 _cell_length_b 4.38512842 _cell_length_c 2.43346441 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.12236147 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSiB2 _chemical_formula_sum 'Na1 Si1 B2' _cell_volume 44.71994940 _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 1.30230440 -1.76389940 1.21673220 1 B B1 1 1.30230440 1.76389940 1.21673220 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 2.60460879 0.00000000 0.00000000 1 [/CIF]
B2NaSi
Cmmm
65
orthorhombic
mmm
2,699.391598
false
[CIF] data_Ba2CaBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10157346 _cell_length_b 6.10157346 _cell_length_c 6.10157346 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaBe _chemical_formula_sum 'Ba2 Ca1 Be1' _cell_volume 160.62403663 _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 6.47169596 6.47169596 6.47169596 1 Ba Ba1 1 2.15723199 2.15723199 2.15723199 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Ca Ca3 1 4.31446397 4.31446397 4.31446397 1 [/CIF]
Ba2BeCa
Fm-3m
225
cubic
m-3m
3,346.883026
false
[CIF] data_CaHfTaV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86359276 _cell_length_b 4.86359276 _cell_length_c 4.86359276 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfTaV _chemical_formula_sum 'Ca1 Hf1 Ta1 V1' _cell_volume 81.34982284 _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 Hf Hf1 1 1.71953971 1.71953971 1.71953971 1 Ta Ta2 1 3.43907942 3.43907942 3.43907942 1 V V3 1 5.15861913 5.15861913 5.15861913 1 [/CIF]
CaHfTaV
F-43m
216
cubic
-43m
9,194.882684
false
[CIF] data_BaGa2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64665110 _cell_length_b 4.64665110 _cell_length_c 4.84134009 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGa2Ge _chemical_formula_sum 'Ba1 Ga2 Ge1' _cell_volume 104.53114797 _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 2.32332555 2.32332555 0.00000000 1 Ga Ga1 1 2.32332555 0.00000000 2.42067005 1 Ga Ga2 1 0.00000000 2.32332555 2.42067005 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaGa2Ge
P4/mmm
123
tetragonal
4/mmm
5,550.632019
false
[CIF] data_MoAs2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39873059 _cell_length_b 4.39873059 _cell_length_c 3.25593441 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoAs2Pd _chemical_formula_sum 'Mo1 As2 Pd1' _cell_volume 62.99852401 _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 2.19936530 0.00000000 1.62796721 1 As As1 1 0.00000000 2.19936530 1.62796721 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 2.19936530 2.19936530 0.00000000 1 [/CIF]
As2MoPd
P4/mmm
123
tetragonal
4/mmm
9,284.033126
false
[CIF] data_NaRhCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69135292 _cell_length_b 3.69135292 _cell_length_c 5.34594688 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.70294539 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaRhCl2 _chemical_formula_sum 'Na1 Rh1 Cl2' _cell_volume 72.76329128 _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 0.60859403 1 Cl Cl1 1 2.54789228 -0.00000000 3.42530924 1 Na Na2 1 0.00000000 0.00000000 3.24493672 1 Rh Rh3 1 2.54789228 -0.00000000 0.74008027 1 [/CIF]
Cl2NaRh
Cmm2
35
orthorhombic
mm2
4,491.223393
false
[CIF] data_SrTl2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65641213 _cell_length_b 5.65641213 _cell_length_c 5.65641213 _cell_angle_alpha 131.90373151 _cell_angle_beta 124.08179237 _cell_angle_gamma 76.80553299 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTl2Pd _chemical_formula_sum 'Sr1 Tl2 Pd1' _cell_volume 108.38529334 _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 2.65195916 0.21938657 1 Sr Sr1 1 -0.00000000 -0.00000000 2.33530885 1 Tl Tl2 1 -0.00000000 2.65195916 4.32951191 1 Tl Tl3 1 0.00000000 0.00000000 6.41396327 1 [/CIF]
PdSrTl2
Imm2
44
orthorhombic
mm2
9,235.421874
false
[CIF] data_NbCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73941143 _cell_length_b 2.73941143 _cell_length_c 4.21064309 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.17124862 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCr _chemical_formula_sum 'Nb1 Cr1' _cell_volume 29.66020357 _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 Nb Nb1 1 1.56790661 0.00000000 2.10532154 1 [/CIF]
CrNb
Cmmm
65
orthorhombic
mmm
8,112.426751
false
[CIF] data_CaSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53967596 _cell_length_b 3.53967596 _cell_length_c 4.56366946 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSi _chemical_formula_sum 'Ca1 Si1' _cell_volume 49.51899538 _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 1.76983800 1.02181642 2.28183473 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaSi
P-6m2
187
hexagonal
-6m2
2,285.75224
false
[CIF] data_ScAlPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60803003 _cell_length_b 4.60803003 _cell_length_c 4.60803003 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAlPdAu _chemical_formula_sum 'Sc1 Al1 Pd1 Au1' _cell_volume 69.18802017 _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 3.25836928 3.25836928 3.25836928 1 Pd Pd2 1 1.62918464 1.62918464 1.62918464 1 Sc Sc3 1 4.88755392 4.88755392 4.88755392 1 [/CIF]
AlAuPdSc
F-43m
216
cubic
-43m
9,007.920673
false