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_HfZrIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14320769 _cell_length_b 4.46314663 _cell_length_c 6.26309581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrIn2 _chemical_formula_sum 'Hf1 Zr1 In2' _cell_volume 87.86244582 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.13154790 1 In In1 1 1.57160384 2.23157331 4.68741051 1 In In2 1 1.57160384 2.23157331 1.57568530 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfIn2Zr
Pmmm
47
orthorhombic
mmm
9,437.79274
false
[CIF] data_NbBSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23288404 _cell_length_b 3.23288404 _cell_length_c 6.45143340 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbBSe2 _chemical_formula_sum 'Nb1 B1 Se2' _cell_volume 67.42740918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 0.00000000 3.22571670 1 Se Se2 1 1.61644202 1.61644202 4.76146455 1 Se Se3 1 1.61644202 1.61644202 1.68996885 1 [/CIF]
BNbSe2
P4/mmm
123
tetragonal
4/mmm
6,443.36029
false
[CIF] data_Li2CaTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31081638 _cell_length_b 3.31081638 _cell_length_c 8.33371337 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CaTi _chemical_formula_sum 'Li2 Ca1 Ti1' _cell_volume 91.35004190 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.21772196 1 Li Li1 1 1.65540819 1.65540819 0.48507962 1 Li Li2 1 0.00000000 0.00000000 2.00669634 1 Ti Ti3 1 1.65540819 1.65540819 3.79107222 1 [/CIF]
CaLi2Ti
P4mm
99
tetragonal
4mm
1,851.0289
false
[CIF] data_InAsRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92849561 _cell_length_b 3.86223372 _cell_length_c 5.96378281 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAsRu2 _chemical_formula_sum 'In1 As1 Ru2' _cell_volume 67.45357119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.51775625 1 In In1 1 1.46424780 1.93111686 4.66403270 1 Ru Ru2 1 0.00000000 0.00000000 0.09515478 1 Ru Ru3 1 1.46424780 1.93111686 1.66873048 1 [/CIF]
AsInRu2
Pmm2
25
orthorhombic
mm2
9,647.100572
false
[CIF] data_CaTa3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40695742 _cell_length_b 4.40695742 _cell_length_c 4.40695742 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTa3O _chemical_formula_sum 'Ca1 Ta3 O1' _cell_volume 85.58872625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20347871 2.20347871 2.20347871 1 O O1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 0.00000000 2.20347871 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 2.20347871 1 Ta Ta4 1 2.20347871 0.00000000 0.00000000 1 [/CIF]
CaOTa3
Pm-3m
221
cubic
m-3m
11,619.892343
false
[CIF] data_Nb2GaBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71365659 _cell_length_b 3.05833950 _cell_length_c 7.33050557 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.66206489 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2GaBr _chemical_formula_sum 'Nb2 Ga1 Br1' _cell_volume 83.25155765 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81447646 0.00000000 3.66500809 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.86218701 1.52916975 1.35860025 1 Nb Nb3 1 1.76676592 1.52916975 5.97141593 1 [/CIF]
BrGaNb2
P2/m
10
monoclinic
2/m
6,690.695546
false
[CIF] data_ZrCuOsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45968287 _cell_length_b 4.45968287 _cell_length_c 4.45968287 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCuOsRh _chemical_formula_sum 'Zr1 Cu1 Os1 Rh1' _cell_volume 62.71868344 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 4.73020800 4.73020800 4.73020800 1 Rh Rh2 1 3.15347200 3.15347200 3.15347200 1 Zr Zr3 1 1.57673600 1.57673600 1.57673600 1 [/CIF]
CuOsRhZr
F-43m
216
cubic
-43m
11,858.740332
false
[CIF] data_V2SnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24295074 _cell_length_b 5.24295074 _cell_length_c 3.07271966 _cell_angle_alpha 100.67172490 _cell_angle_beta 100.67172490 _cell_angle_gamma 108.34651993 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2SnPb _chemical_formula_sum 'V2 Sn1 Pb1' _cell_volume 76.05336536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06888853 0.00000000 0.00000000 1 Sn Sn1 1 -0.00000000 -0.00000000 0.00000000 1 V V2 1 1.04838903 2.12546793 1.45744703 1 V V3 1 1.04838903 -2.12546793 1.45744703 1 [/CIF]
PbSnV2
C2/m
12
monoclinic
2/m
9,340.37548
false
[CIF] data_TlOs2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87285765 _cell_length_b 3.85478235 _cell_length_c 6.07372447 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlOs2Pd _chemical_formula_sum 'Tl1 Os2 Pd1' _cell_volume 67.26188833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.28091413 1 Os Os1 1 1.43642882 1.92739117 1.34177897 1 Pd Pd2 1 0.00000000 0.00000000 3.00818314 1 Tl Tl3 1 1.43642882 1.92739117 4.47971047 1 [/CIF]
Os2PdTl
Pmm2
25
orthorhombic
mm2
17,065.677809
false
[CIF] data_MgZnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40318776 _cell_length_b 4.12526850 _cell_length_c 4.53252206 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnMo2 _chemical_formula_sum 'Mg1 Zn1 Mo2' _cell_volume 63.63236395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 2.06263425 2.26626103 1 Mo Mo2 1 1.70159388 0.00000000 2.26626103 1 Zn Zn3 1 1.70159388 2.06263425 0.00000000 1 [/CIF]
MgMo2Zn
Pmmm
47
orthorhombic
mmm
7,348.714943
false
[CIF] data_PPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29112800 _cell_length_b 4.29112800 _cell_length_c 4.29112800 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PPdAu _chemical_formula_sum 'P1 Pd1 Au1' _cell_volume 55.87266812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.03428571 3.03428571 3.03428571 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 4.55142856 4.55142857 4.55142857 1 [/CIF]
AuPPd
F-43m
216
cubic
-43m
9,937.209204
false
[CIF] data_CaNi4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86968990 _cell_length_b 4.86968990 _cell_length_c 4.86968990 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNi4W _chemical_formula_sum 'Ca1 Ni4 W1' _cell_volume 81.65615406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 2.58688268 4.29989882 4.29989882 1 Ni Ni2 1 4.29989882 4.29989882 2.58688268 1 Ni Ni3 1 4.29989882 2.58688268 4.29989882 1 Ni Ni4 1 2.58688268 2.58688268 2.58688268 1 W W5 1 5.16508613 5.16508613 5.16508613 1 [/CIF]
CaNi4W
F-43m
216
cubic
-43m
9,327.837321
false
[CIF] data_FeSiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51250315 _cell_length_b 4.51250315 _cell_length_c 2.93455043 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSiAs2 _chemical_formula_sum 'Fe1 Si1 As2' _cell_volume 59.75532508 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.25625157 1.46727521 1 As As1 1 2.25625157 0.00000000 1.46727521 1 Fe Fe2 1 2.25625157 2.25625157 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2FeSi
P4/mmm
123
tetragonal
4/mmm
6,496.330847
false
[CIF] data_TiCrIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07484313 _cell_length_b 3.07484313 _cell_length_c 8.24154840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrIn2 _chemical_formula_sum 'Ti1 Cr1 In2' _cell_volume 77.92104025 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53742157 1.53742157 5.95363457 1 In In1 1 0.00000000 0.00000000 7.86235451 1 In In2 1 1.53742157 1.53742157 2.32074619 1 Ti Ti3 1 0.00000000 0.00000000 4.46713574 1 [/CIF]
CrIn2Ti
P4mm
99
tetragonal
4mm
7,021.80215
false
[CIF] data_ZnCoNiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17317838 _cell_length_b 4.17317838 _cell_length_c 4.17317838 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCoNiPd _chemical_formula_sum 'Zn1 Co1 Ni1 Pd1' _cell_volume 51.39085554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.47544137 1.47544137 1.47544137 1 Pd Pd2 1 2.95088273 2.95088273 2.95088273 1 Zn Zn3 1 4.42632410 4.42632410 4.42632410 1 [/CIF]
CoNiPdZn
F-43m
216
cubic
-43m
9,351.939423
false
[CIF] data_CdNi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38735131 _cell_length_b 4.38735131 _cell_length_c 4.38735131 _cell_angle_alpha 126.93846227 _cell_angle_beta 123.68718829 _cell_angle_gamma 81.04751685 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdNi2W _chemical_formula_sum 'Cd1 Ni2 W1' _cell_volume 54.12344210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 -0.00000000 2.07030368 1.56997535 1 Ni Ni2 1 1.95973482 0.00000000 1.76501095 1 W W3 1 0.00000000 0.00000000 3.33498630 1 [/CIF]
CdNi2W
Immm
71
orthorhombic
mmm
12,690.651216
false
[CIF] data_Na2YBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64122322 _cell_length_b 6.64122322 _cell_length_c 3.61473002 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 127.30600259 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2YBr _chemical_formula_sum 'Na2 Y1 Br1' _cell_volume 126.81279161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47370873 2.97567539 1.80736501 1 Na Na2 1 1.47370873 -2.97567540 1.80736501 1 Y Y3 1 2.94741746 -0.00000000 0.00000000 1 [/CIF]
BrNa2Y
Cmmm
65
orthorhombic
mmm
2,812.540961
false
[CIF] data_La _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65753132 _cell_length_b 3.65753132 _cell_length_c 3.65753132 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural La _chemical_formula_sum La1 _cell_volume 37.66537270 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 [/CIF]
La
Im-3m
229
cubic
m-3m
6,123.873016
false
[CIF] data_CaMn2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18110475 _cell_length_b 3.18110475 _cell_length_c 7.37679692 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMn2Cu _chemical_formula_sum 'Ca1 Mn2 Cu1' _cell_volume 74.64896110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 0.00000000 0.00000000 3.68839846 1 Mn Mn2 1 1.59055237 1.59055237 5.02777485 1 Mn Mn3 1 1.59055237 1.59055237 2.34902207 1 [/CIF]
CaCuMn2
P4/mmm
123
tetragonal
4/mmm
4,749.232072
false
[CIF] data_Be2AsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21046963 _cell_length_b 6.21046963 _cell_length_c 6.21046963 _cell_angle_alpha 31.34945743 _cell_angle_beta 31.34945743 _cell_angle_gamma 31.34945743 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2AsSe _chemical_formula_sum 'Be2 As1 Se1' _cell_volume 57.54693328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 1 Be Be1 1 -0.00000000 0.00000000 4.37794910 1 Be Be2 1 -0.00000000 0.00000000 13.32358939 1 Se Se3 1 -0.00000000 0.00000000 8.85076925 1 [/CIF]
AsBe2Se
R-3m
166
trigonal
-3m
4,960.413227
false
[CIF] data_CsLaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05331457 _cell_length_b 5.05331457 _cell_length_c 5.05331457 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsLaTc2 _chemical_formula_sum 'Cs1 La1 Tc2' _cell_volume 91.24603553 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 3.57323300 3.57323300 3.57323300 1 Tc Tc2 1 5.35984950 5.35984950 5.35984950 1 Tc Tc3 1 1.78661650 1.78661650 1.78661650 1 [/CIF]
CsLaTc2
Fm-3m
225
cubic
m-3m
8,546.430189
false
[CIF] data_LaGaMoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83997978 _cell_length_b 4.83997978 _cell_length_c 4.83997978 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGaMoRh _chemical_formula_sum 'La1 Ga1 Mo1 Rh1' _cell_volume 80.17069395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 1.71119126 1.71119126 1.71119126 1 Mo Mo2 1 5.13357378 5.13357378 5.13357378 1 Rh Rh3 1 3.42238252 3.42238252 3.42238252 1 [/CIF]
GaLaMoRh
F-43m
216
cubic
-43m
8,440.23699
false
[CIF] data_KTi3Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41057306 _cell_length_b 4.41057306 _cell_length_c 4.41057306 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTi3Mn _chemical_formula_sum 'K1 Ti3 Mn1' _cell_volume 85.79956013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 2.20528653 2.20528653 2.20528653 1 Ti Ti2 1 0.00000000 2.20528653 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 2.20528653 1 Ti Ti4 1 2.20528653 0.00000000 0.00000000 1 [/CIF]
KMnTi3
Pm-3m
221
cubic
m-3m
4,599.162216
false
[CIF] data_MgBi2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08451472 _cell_length_b 5.08451472 _cell_length_c 3.59233660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.73055185 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBi2Rh _chemical_formula_sum 'Mg1 Bi2 Rh1' _cell_volume 90.93049198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60453560 -1.97193763 1.79616830 1 Bi Bi1 1 1.60453560 1.97193763 1.79616830 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 3.20907120 0.00000000 0.00000000 1 [/CIF]
Bi2MgRh
Cmmm
65
orthorhombic
mmm
9,955.716965
false
[CIF] data_AlCuSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47232567 _cell_length_b 6.47232567 _cell_length_c 3.54217935 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCuSi _chemical_formula_sum 'Al3 Cu3 Si3' _cell_volume 128.50555514 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 -1.25451063 2.17287614 0.00000000 1 Al Al1 1 1.98165221 3.43232231 0.00000000 1 Al Al2 1 2.50902125 0.00000000 0.00000000 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 Cu Cu4 1 3.23616284 1.86839948 1.77108968 1 Cu Cu5 1 -0.00000000 3.73679897 1.77108968 1 Si Si6 1 -2.36061807 4.08871044 1.77108968 1 Si Si7 1 0.87554476 1.51648801 1.77108968 1 Si Si8 1 4.72123615 0.00000000 1.77108968 1 [/CIF]
Al3Cu3Si3
P-62m
189
hexagonal
-6m2
4,598.126143
false
[CIF] data_SmCdNi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01495403 _cell_length_b 5.01495403 _cell_length_c 5.01495403 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmCdNi4 _chemical_formula_sum 'Sm1 Cd1 Ni4' _cell_volume 89.18377895 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 1.77305400 1.77305400 1.77305400 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 2.65150533 2.65150533 4.44071067 1 Ni Ni3 1 2.65150533 4.44071067 2.65150533 1 Ni Ni4 1 4.44071067 2.65150533 2.65150533 1 Ni Ni5 1 4.44071067 4.44071067 4.44071067 1 [/CIF]
CdNi4Sm
F-43m
216
cubic
-43m
9,263.929556
false
[CIF] data_CaGeSb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25058237 _cell_length_b 6.25058237 _cell_length_c 6.25058237 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGeSb4 _chemical_formula_sum 'Ca1 Ge1 Sb4' _cell_volume 172.68175353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 2.20991459 2.20991459 2.20991459 1 Sb Sb2 1 3.31680857 3.31680857 5.52284979 1 Sb Sb3 1 3.31680857 5.52284979 3.31680857 1 Sb Sb4 1 5.52284979 3.31680857 3.31680857 1 Sb Sb5 1 5.52284979 5.52284979 5.52284979 1 [/CIF]
CaGeSb4
F-43m
216
cubic
-43m
5,767.381725
false
[CIF] data_Hf2InHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03852670 _cell_length_b 5.03852670 _cell_length_c 3.56463489 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2InHg _chemical_formula_sum 'Hf2 In1 Hg1' _cell_volume 90.49449945 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.51926335 1.78231744 1 Hf Hf1 1 2.51926335 0.00000000 1.78231744 1 Hg Hg2 1 2.51926335 2.51926335 0.00000000 1 In In3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2HgIn
P4/mmm
123
tetragonal
4/mmm
12,338.059757
false
[CIF] data_NaGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.28020425 _cell_length_b 8.28020425 _cell_length_c 8.28020425 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGe4 _chemical_formula_sum 'Na4 Ge16' _cell_volume 437.01994480 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58522939 1.58522939 1.58522939 1 Ge Ge1 1 3.19534876 3.19534876 -3.19534876 1 Ge Ge2 1 3.19534876 -3.19534876 3.19534876 1 Ge Ge3 1 -3.19534876 3.19534876 3.19534876 1 Ge Ge4 1 3.29488709 0.00000000 -0.00000000 1 Ge Ge5 1 6.26626921 0.00000000 -0.00000000 1 Ge Ge6 1 0.00000000 3.29488709 -0.00000000 1 Ge Ge7 1 0.00000000 6.26626921 -0.00000000 1 Ge Ge8 1 0.00000000 -0.00000000 3.29488709 1 Ge Ge9 1 0.00000000 -0.00000000 6.26626921 1 Ge Ge10 1 2.39028908 4.78057815 -0.00000000 1 Ge Ge11 1 2.39028908 -0.00000000 4.78057815 1 Ge Ge12 1 -0.00000000 2.39028908 4.78057815 1 Ge Ge13 1 4.78057815 2.39028908 -0.00000000 1 Ge Ge14 1 4.78057815 -0.00000000 2.39028908 1 Ge Ge15 1 -0.00000000 4.78057815 2.39028908 1 Na Na16 1 3.19106030 3.19106030 3.19106030 1 Na Na17 1 1.58951785 1.58951785 -1.58951785 1 Na Na18 1 1.58951785 -1.58951785 1.58951785 1 Na Na19 1 -1.58951785 1.58951785 1.58951785 1 [/CIF]
Ge16Na4
I-43m
217
cubic
-43m
4,765.564111
false
[CIF] data_HfBeCuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31288852 _cell_length_b 4.31288852 _cell_length_c 4.31288852 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeCuRu _chemical_formula_sum 'Hf1 Be1 Cu1 Ru1' _cell_volume 56.72698483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 4.57450908 4.57450908 4.57450908 1 Hf Hf2 1 3.04967272 3.04967272 3.04967272 1 Ru Ru3 1 1.52483636 1.52483636 1.52483636 1 [/CIF]
BeCuHfRu
F-43m
216
cubic
-43m
10,307.369571
false
[CIF] data_Y5Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56718648 _cell_length_b 6.56718648 _cell_length_c 5.98533443 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5Br _chemical_formula_sum 'Y5 Br1' _cell_volume 223.55158337 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Y Y1 1 3.28359324 1.89578344 0.00000000 1 Y Y2 1 0.00000000 3.79156688 0.00000000 1 Y Y3 1 -1.64179662 2.84367516 2.99266722 1 Y Y4 1 1.64179662 2.84367516 2.99266722 1 Y Y5 1 3.28359324 0.00000000 2.99266722 1 [/CIF]
BrY5
P6/mmm
191
hexagonal
6/mmm
3,895.485268
false
[CIF] data_Sn2RhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85878295 _cell_length_b 4.85878295 _cell_length_c 4.85878295 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2RhAu _chemical_formula_sum 'Sn2 Rh1 Au1' _cell_volume 81.10871068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.15351756 5.15351756 5.15351756 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.71783919 1.71783919 1.71783919 1 Sn Sn3 1 3.43567837 3.43567837 3.43567837 1 [/CIF]
AuRhSn2
F-43m
216
cubic
-43m
10,999.983396
false
[CIF] data_Pu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21512700 _cell_length_b 8.21512700 _cell_length_c 8.21512700 _cell_angle_alpha 23.51497054 _cell_angle_beta 23.51497054 _cell_angle_gamma 23.51497054 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu _chemical_formula_sum Pu3 _cell_volume 77.50772973 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pu Pu0 1 0.00000000 -0.00000000 18.62087495 1 Pu Pu1 1 -0.00000000 0.00000000 5.33257469 1 Pu Pu2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pu3
R-3m
166
trigonal
-3m
15,682.495919
false
[CIF] data_PtSeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45972248 _cell_length_b 4.45972248 _cell_length_c 4.45972248 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PtSeCl _chemical_formula_sum 'Pt1 Se1 Cl1' _cell_volume 62.72035471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.57675001 1.57675001 1.57675001 1 Se Se2 1 4.73025002 4.73025002 4.73025002 1 [/CIF]
ClPtSe
F-43m
216
cubic
-43m
8,194.020297
false
[CIF] data_LiMgGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54560752 _cell_length_b 5.54560752 _cell_length_c 5.54560752 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgGe4 _chemical_formula_sum 'Li1 Mg1 Ge4' _cell_volume 120.59585779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.94063396 2.94063396 4.90203940 1 Ge Ge1 1 2.94063396 4.90203940 2.94063396 1 Ge Ge2 1 4.90203940 2.94063396 2.94063396 1 Ge Ge3 1 4.90203940 4.90203940 4.90203940 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 Mg Mg5 1 1.96066834 1.96066834 1.96066834 1 [/CIF]
Ge4LiMg
F-43m
216
cubic
-43m
4,431.092781
false
[CIF] data_YCu2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57061612 _cell_length_b 4.57061612 _cell_length_c 4.57061612 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCu2Pd _chemical_formula_sum 'Y1 Cu2 Pd1' _cell_volume 67.51639450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61595683 1.61595683 1.61595682 1 Cu Cu1 1 4.84787048 4.84787048 4.84787048 1 Pd Pd2 1 3.23191365 3.23191365 3.23191365 1 Y Y3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Cu2PdY
Fm-3m
225
cubic
m-3m
7,929.739727
false
[CIF] data_Mg2ReW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69279961 _cell_length_b 2.69279961 _cell_length_c 9.17157047 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ReW _chemical_formula_sum 'Mg2 Re1 W1' _cell_volume 66.50461426 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.34639980 1.34639980 2.33261918 1 Mg Mg1 1 1.34639980 1.34639980 6.83895129 1 Re Re2 1 0.00000000 0.00000000 4.58578524 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2ReW
P4/mmm
123
tetragonal
4/mmm
10,453.354429
false
[CIF] data_Hf2TaCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15902284 _cell_length_b 9.15902284 _cell_length_c 9.15902284 _cell_angle_alpha 20.30436408 _cell_angle_beta 20.30436408 _cell_angle_gamma 20.30436408 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TaCl _chemical_formula_sum 'Hf2 Ta1 Cl1' _cell_volume 80.96080795 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 -0.00000000 20.15539903 1 Hf Hf2 1 0.00000000 0.00000000 6.74653151 1 Ta Ta3 1 0.00000000 0.00000000 13.45096527 1 [/CIF]
ClHf2Ta
R-3m
166
trigonal
-3m
11,760.274819
false
[CIF] data_AgGeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48346166 _cell_length_b 4.48346166 _cell_length_c 4.48346166 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgGeW2 _chemical_formula_sum 'Ag1 Ge1 W2' _cell_volume 63.72727991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17028614 3.17028614 3.17028614 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.75542921 4.75542921 4.75542921 1 W W3 1 1.58514307 1.58514307 1.58514307 1 [/CIF]
AgGeW2
Fm-3m
225
cubic
m-3m
14,284.116994
false
[CIF] data_CuNiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75056807 _cell_length_b 5.75056807 _cell_length_c 5.75056807 _cell_angle_alpha 153.51917366 _cell_angle_beta 153.51917366 _cell_angle_gamma 37.79885531 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuNiIr _chemical_formula_sum 'Cu1 Ni1 Ir1' _cell_volume 37.75176921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05748580 1 Ir Ir1 1 0.00000000 -0.00000000 3.57474374 1 Ni Ni2 1 0.00000000 0.00000000 7.24886418 1 [/CIF]
CuIrNi
I4mm
107
tetragonal
4mm
13,831.593801
false
[CIF] data_InCuSnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75355232 _cell_length_b 4.75355232 _cell_length_c 4.75355232 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCuSnW _chemical_formula_sum 'In1 Cu1 Sn1 W1' _cell_volume 75.95210891 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.36126908 3.36126908 3.36126908 1 Sn Sn2 1 1.68063454 1.68063454 1.68063454 1 W W3 1 5.04190362 5.04190362 5.04190362 1 [/CIF]
CuInSnW
F-43m
216
cubic
-43m
10,514.210812
false
[CIF] data_CaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25901235 _cell_length_b 4.25901235 _cell_length_c 4.25901235 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAs _chemical_formula_sum 'Ca1 As1' _cell_volume 54.62754702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.01157651 3.01157651 3.01157651 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2Ca2
Fm-3m
225
cubic
m-3m
3,495.697111
false
[CIF] data_CoSbRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89815777 _cell_length_b 4.41746699 _cell_length_c 4.78293626 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.55886347 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSbRu2 _chemical_formula_sum 'Co1 Sb1 Ru2' _cell_volume 61.17256203 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 2.16974303 2.20873350 1.11329463 1 Ru Ru2 1 0.51487697 2.20873350 3.66487247 1 Sb Sb3 1 1.34231000 0.00000000 2.38908355 1 [/CIF]
CoRu2Sb
P2/m
10
monoclinic
2/m
10,392.068849
false
[CIF] data_Mg2CuB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24890658 _cell_length_b 4.24890658 _cell_length_c 3.10096772 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.67636089 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CuB _chemical_formula_sum 'Mg2 Cu1 B1' _cell_volume 55.97851210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.98664519 0.00000000 0.00000000 1 Mg Mg2 1 1.49332259 -1.51105573 1.55048386 1 Mg Mg3 1 1.49332260 1.51105573 1.55048386 1 [/CIF]
BCuMg2
Cmmm
65
orthorhombic
mmm
3,647.676577
false
[CIF] data_MnCdRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68161976 _cell_length_b 4.51204387 _cell_length_c 5.20276002 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.36820792 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCdRe2 _chemical_formula_sum 'Mn1 Cd1 Re2' _cell_volume 61.92334208 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.87263079 0.00000000 2.55890334 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.82845608 2.25602194 1.21491638 1 Re Re3 1 -0.08319450 2.25602194 3.90289029 1 [/CIF]
CdMnRe2
P2/m
10
monoclinic
2/m
14,474.309572
false
[CIF] data_VSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70723658 _cell_length_b 3.70723658 _cell_length_c 4.94121436 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSi _chemical_formula_sum 'V2 Si2' _cell_volume 58.81186213 _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 Si Si0 1 0.00000000 0.00000000 2.47060718 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.85361829 1.07018702 3.70591077 1 V V3 1 0.00000000 2.14037404 1.23530359 1 [/CIF]
Si2V2
P6_3/mmc
194
hexagonal
6/mmm
4,462.617439
false
[CIF] data_ZnFeSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88149205 _cell_length_b 5.88149205 _cell_length_c 5.88149205 _cell_angle_alpha 140.27151060 _cell_angle_beta 140.27151060 _cell_angle_gamma 57.44127973 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFeSb2 _chemical_formula_sum 'Zn1 Fe1 Sb2' _cell_volume 82.40183835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 -0.00000000 -0.00000000 1 Sb Sb1 1 1.99848806 -0.00000000 2.57895520 1 Sb Sb2 1 0.00000000 -0.00000000 5.15791040 1 Zn Zn3 1 -0.00000000 1.99848806 2.57895520 1 [/CIF]
FeSb2Zn
I-4m2
119
tetragonal
-42m
7,350.240407
false
[CIF] data_Ce2BW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05267885 _cell_length_b 5.05267885 _cell_length_c 5.05267885 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2BW _chemical_formula_sum 'Ce2 B1 W1' _cell_volume 91.21160282 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ce Ce1 1 1.78639174 1.78639174 1.78639174 1 Ce Ce2 1 5.35917522 5.35917522 5.35917522 1 W W3 1 3.57278348 3.57278348 3.57278348 1 [/CIF]
BCe2W
Fm-3m
225
cubic
m-3m
8,645.410773
false
[CIF] data_Ca2ZrTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81038438 _cell_length_b 3.81038438 _cell_length_c 8.42314709 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ZrTe _chemical_formula_sum 'Ca2 Zr1 Te1' _cell_volume 122.29591791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90519219 1.90519219 8.04576904 1 Ca Ca1 1 0.00000000 0.00000000 2.48005466 1 Te Te2 1 1.90519219 1.90519219 4.61722372 1 Zr Zr3 1 0.00000000 0.00000000 5.91482031 1 [/CIF]
Ca2TeZr
P4mm
99
tetragonal
4mm
4,059.562892
false
[CIF] data_CaAsRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39849359 _cell_length_b 4.39849359 _cell_length_c 3.31363997 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAsRu2 _chemical_formula_sum 'Ca1 As1 Ru2' _cell_volume 64.10815038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19924680 2.19924680 0.00000000 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 0.00000000 2.19924680 1.65681999 1 Ru Ru3 1 2.19924680 0.00000000 1.65681999 1 [/CIF]
AsCaRu2
P4/mmm
123
tetragonal
4/mmm
8,214.59818
false
[CIF] data_CaFeBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78721173 _cell_length_b 4.78721173 _cell_length_c 4.16074459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaFeBi2 _chemical_formula_sum 'Ca1 Fe1 Bi2' _cell_volume 95.35343204 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.39360587 0.00000000 2.08037230 1 Bi Bi1 1 0.00000000 2.39360587 2.08037230 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Fe Fe3 1 2.39360587 2.39360587 0.00000000 1 [/CIF]
Bi2CaFe
P4/mmm
123
tetragonal
4/mmm
8,949.065674
false
[CIF] data_ZnFe4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89438273 _cell_length_b 4.89438273 _cell_length_c 4.89438273 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFe4Se _chemical_formula_sum 'Zn1 Fe4 Se1' _cell_volume 82.90462984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.58456508 4.33713736 2.58456508 1 Fe Fe1 1 4.33713736 2.58456508 2.58456508 1 Fe Fe2 1 4.33713736 4.33713736 4.33713736 1 Fe Fe3 1 2.58456508 2.58456508 4.33713736 1 Se Se4 1 1.73042561 1.73042561 1.73042561 1 Zn Zn5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe4SeZn
F-43m
216
cubic
-43m
7,365.251214
false
[CIF] data_FeCuS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36724585 _cell_length_b 6.36724585 _cell_length_c 6.36724585 _cell_angle_alpha 131.29038007 _cell_angle_beta 131.29038007 _cell_angle_gamma 71.35213027 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCuS2 _chemical_formula_sum 'Fe2 Cu2 S4' _cell_volume 142.64407961 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 2.62576325 -0.00000000 2.58614358 1 Cu Cu1 1 0.00000000 0.00000000 5.17228716 1 Fe Fe2 1 0.00000000 2.62576325 2.58614358 1 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1 S S4 1 1.31288163 1.34783342 3.87921537 1 S S5 1 1.31288163 1.27792983 -1.29307179 1 S S6 1 1.27792983 3.93864488 1.29307179 1 S S7 1 1.34783342 -1.31288162 6.46535895 1 [/CIF]
Cu2Fe2S4
I-42d
122
tetragonal
-42m
4,272.785676
false
[CIF] data_NaU2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09831343 _cell_length_b 5.09831343 _cell_length_c 5.09831343 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaU2Al _chemical_formula_sum 'Na1 U2 Al1' _cell_volume 93.70539507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.60505200 3.60505200 3.60505200 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 U U2 1 5.40757800 5.40757800 5.40757800 1 U U3 1 1.80252600 1.80252600 1.80252600 1 [/CIF]
AlNaU2
Fm-3m
225
cubic
m-3m
9,321.68224
false
[CIF] data_SiMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90082462 _cell_length_b 4.90082462 _cell_length_c 4.90082462 _cell_angle_alpha 142.18194198 _cell_angle_beta 142.18194198 _cell_angle_gamma 54.55483046 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiMo2 _chemical_formula_sum 'Si1 Mo2' _cell_volume 43.94796884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.80215174 1 Mo Mo1 1 0.00000000 -0.00000000 2.90953404 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2Si
I4/mmm
139
tetragonal
4/mmm
8,312.732926
false
[CIF] data_VNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55094578 _cell_length_b 4.55094578 _cell_length_c 7.09254510 _cell_angle_alpha 114.12717280 _cell_angle_beta 114.12717280 _cell_angle_gamma 47.09609582 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNi _chemical_formula_sum 'V4 Ni4' _cell_volume 96.31088711 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02126325 0.00000000 0.01839236 1 Ni Ni1 1 -0.65604387 -0.00000000 5.58545557 1 Ni Ni2 1 4.24727823 -0.00000000 3.98688360 1 Ni Ni3 1 0.86822772 0.00000000 2.37770644 1 V V4 1 1.71158394 -0.00000000 4.70926842 1 V V5 1 6.73348380 0.00000000 3.16017169 1 V V6 1 3.45472672 0.00000000 1.67553649 1 V V7 1 5.92636123 0.00000000 0.70609874 1 [/CIF]
Ni4V4
Cm
8
monoclinic
m
7,561.057321
false
[CIF] data_BaBeNb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73584970 _cell_length_b 4.73584970 _cell_length_c 4.73584970 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeNb3 _chemical_formula_sum 'Ba1 Be1 Nb3' _cell_volume 106.21692703 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 2.36792485 0.00000000 1 Nb Nb2 1 0.00000000 0.00000000 2.36792485 1 Nb Nb3 1 2.36792485 0.00000000 0.00000000 1 Ba Ba4 1 2.36792485 2.36792485 2.36792485 1 [/CIF]
BaBeNb3
Pm-3m
221
cubic
m-3m
6,645.136223
false
[CIF] data_MgMoCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94975211 _cell_length_b 4.94975211 _cell_length_c 4.94975211 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMoCl2 _chemical_formula_sum 'Mg1 Mo1 Cl2' _cell_volume 85.75024108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.50000328 3.50000328 3.50000328 1 Cl Cl1 1 1.75000164 1.75000164 1.75000164 1 Mg Mg2 1 0.00000000 -0.00000000 0.00000000 1 Mo Mo3 1 5.25000492 5.25000492 5.25000492 1 [/CIF]
Cl2MgMo
F-43m
216
cubic
-43m
3,701.994419
false
[CIF] data_SrP2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49015810 _cell_length_b 3.49015810 _cell_length_c 6.58714936 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrP2Pt _chemical_formula_sum 'Sr1 P2 Pt1' _cell_volume 80.23940702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 1.74507905 1.74507905 0.27575382 1 P P1 1 0.00000000 0.00000000 1.88890757 1 Pt Pt2 1 1.74507905 1.74507905 2.63730582 1 Sr Sr3 1 0.00000000 0.00000000 5.07875684 1 [/CIF]
P2PtSr
P4mm
99
tetragonal
4mm
7,132.67159
false
[CIF] data_Sr2HfNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.07177181 _cell_length_b 12.07177181 _cell_length_c 12.07177181 _cell_angle_alpha 15.81135777 _cell_angle_beta 15.81135777 _cell_angle_gamma 15.81135777 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2HfNb _chemical_formula_sum 'Sr2 Hf1 Nb1' _cell_volume 113.82333506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 17.87782536 1 Nb Nb1 1 -0.00000000 -0.00000000 -0.00000000 1 Sr Sr2 1 -0.00000000 0.00000000 9.08176294 1 Sr Sr3 1 0.00000000 -0.00000000 26.67388778 1 [/CIF]
HfNbSr2
R-3m
166
trigonal
-3m
6,515.862121
false
[CIF] data_ZrCdPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08507948 _cell_length_b 3.60992899 _cell_length_c 6.53785117 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCdPd2 _chemical_formula_sum 'Zr1 Cd1 Pd2' _cell_volume 72.81151140 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26892559 1 Pd Pd1 1 1.54253974 1.80496450 4.94489288 1 Pd Pd2 1 1.54253974 1.80496450 1.59295829 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdPd2Zr
Pmmm
47
orthorhombic
mmm
9,498.127349
false
[CIF] data_YTaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15423721 _cell_length_b 5.15423721 _cell_length_c 4.66213479 _cell_angle_alpha 106.38512046 _cell_angle_beta 106.38512046 _cell_angle_gamma 33.80577831 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaFe2 _chemical_formula_sum 'Y1 Ta1 Fe2' _cell_volume 65.84731635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.26546479 0.00000000 4.14644125 1 Fe Fe1 1 1.52726962 0.00000000 3.43029898 1 Ta Ta2 1 4.43702734 0.00000000 2.48919540 1 Y Y3 1 6.99174707 -0.00000000 1.07132105 1 [/CIF]
Fe2TaY
Cm
8
monoclinic
m
9,621.778144
false
[CIF] data_SrV4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17824594 _cell_length_b 5.17824594 _cell_length_c 5.17824594 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrV4Ir _chemical_formula_sum 'Sr1 V4 Ir1' _cell_volume 98.18225954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.49235923 5.49235923 5.49235923 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 4.57853071 4.57853071 2.74461493 1 V V3 1 4.57853071 2.74461493 4.57853071 1 V V4 1 2.74461493 4.57853071 4.57853071 1 V V5 1 2.74461493 2.74461493 2.74461493 1 [/CIF]
IrSrV4
F-43m
216
cubic
-43m
8,179.091396
false
[CIF] data_AcHfCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90669138 _cell_length_b 4.90669138 _cell_length_c 4.90669138 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcHfCu2 _chemical_formula_sum 'Ac1 Hf1 Cu2' _cell_volume 83.53168265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 3.46955475 3.46955475 3.46955475 1 Cu Cu1 1 5.20433212 5.20433212 5.20433212 1 Cu Cu2 1 1.73477737 1.73477737 1.73477737 1 Hf Hf3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AcCu2Hf
Fm-3m
225
cubic
m-3m
10,587.278852
false
[CIF] data_BRuRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65489041 _cell_length_b 4.65489041 _cell_length_c 4.65489041 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BRuRh3 _chemical_formula_sum 'B1 Ru1 Rh3' _cell_volume 100.86218742 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32744520 2.32744520 2.32744520 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 2.32744520 0.00000000 2.32744520 1 Rh Rh3 1 2.32744520 2.32744520 0.00000000 1 Rh Rh4 1 0.00000000 2.32744520 2.32744520 1 [/CIF]
BRh3Ru
Pm-3m
221
cubic
m-3m
6,924.483773
false
[CIF] data_AlTlSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80772824 _cell_length_b 4.80772824 _cell_length_c 4.80772824 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTlSi2 _chemical_formula_sum 'Al1 Tl1 Si2' _cell_volume 78.57868129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 5.09936587 5.09936587 5.09936587 1 Si Si2 1 1.69978862 1.69978862 1.69978862 1 Tl Tl3 1 3.39957724 3.39957724 3.39957724 1 [/CIF]
AlSi2Tl
Fm-3m
225
cubic
m-3m
6,076.259937
false
[CIF] data_MnIr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68615351 _cell_length_b 2.68615351 _cell_length_c 7.49252315 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnIr2Ru _chemical_formula_sum 'Mn1 Ir2 Ru1' _cell_volume 54.06170648 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.34307676 1.34307676 5.70899680 1 Ir Ir1 1 1.34307676 1.34307676 1.78352635 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 0.00000000 0.00000000 3.74626158 1 [/CIF]
Ir2MnRu
P4/mmm
123
tetragonal
4/mmm
16,600.014825
false
[CIF] data_HfV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42466814 _cell_length_b 5.42466814 _cell_length_c 4.65352207 _cell_angle_alpha 113.67621806 _cell_angle_beta 113.67621806 _cell_angle_gamma 35.10798657 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfV _chemical_formula_sum 'Hf2 V2' _cell_volume 71.43025606 _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 Hf Hf0 1 4.68142602 -0.00000000 3.62087846 1 Hf Hf1 1 3.70271705 0.00000000 0.59975777 1 V V2 1 0.85283797 -0.00000000 1.64518256 1 V V3 1 7.53130510 -0.00000000 2.57545367 1 [/CIF]
Hf2V2
C2/m
12
monoclinic
2/m
10,667.187544
false
[CIF] data_MnCoAgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50179401 _cell_length_b 4.50179401 _cell_length_c 4.50179401 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCoAgHg _chemical_formula_sum 'Mn1 Co1 Ag1 Hg1' _cell_volume 64.51220086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.18324907 3.18324907 3.18324907 1 Co Co1 1 1.59162453 1.59162453 1.59162454 1 Hg Hg2 1 4.77487360 4.77487360 4.77487360 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCoHgMn
F-43m
216
cubic
-43m
10,870.727161
false
[CIF] data_CaIn3I _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14012910 _cell_length_b 6.14012910 _cell_length_c 6.14012910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaIn3I _chemical_formula_sum 'Ca1 In3 I1' _cell_volume 231.49014536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy I I0 1 3.07006455 3.07006455 3.07006455 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 0.00000000 3.07006455 0.00000000 1 In In3 1 0.00000000 0.00000000 3.07006455 1 In In4 1 3.07006455 0.00000000 0.00000000 1 [/CIF]
CaIIn3
Pm-3m
221
cubic
m-3m
3,668.66692
false
[CIF] data_LiHf2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64348821 _cell_length_b 4.64348821 _cell_length_c 4.64348821 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHf2Re _chemical_formula_sum 'Li1 Hf2 Re1' _cell_volume 70.79751971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 4.92516300 4.92516300 4.92516300 1 Hf Hf2 1 1.64172100 1.64172100 1.64172100 1 Re Re3 1 3.28344200 3.28344200 3.28344200 1 [/CIF]
Hf2LiRe
Fm-3m
225
cubic
m-3m
12,903.122021
false
[CIF] data_LiNd2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93931633 _cell_length_b 4.93931633 _cell_length_c 4.93931633 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNd2B _chemical_formula_sum 'Li1 Nd2 B1' _cell_volume 85.20901098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.49262407 3.49262407 3.49262407 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nd Nd2 1 5.23893611 5.23893611 5.23893611 1 Nd Nd3 1 1.74631204 1.74631204 1.74631204 1 [/CIF]
BLiNd2
Fm-3m
225
cubic
m-3m
5,967.876352
false
[CIF] data_Hf2MnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29723705 _cell_length_b 5.29723705 _cell_length_c 5.29723705 _cell_angle_alpha 144.35952679 _cell_angle_beta 126.16801299 _cell_angle_gamma 66.24388231 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2MnW _chemical_formula_sum 'Hf2 Mn1 W1' _cell_volume 68.98568712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.39797248 2.40099429 1 Hf Hf1 1 1.62112179 -0.00000000 2.03549222 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 4.43648650 1 [/CIF]
Hf2MnW
Immm
71
orthorhombic
mmm
14,340.432118
false
[CIF] data_Li2SiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38673215 _cell_length_b 5.38673215 _cell_length_c 5.38673215 _cell_angle_alpha 135.01946236 _cell_angle_beta 133.76537093 _cell_angle_gamma 66.48096262 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2SiBi _chemical_formula_sum 'Li2 Si1 Bi1' _cell_volume 78.53564936 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11491219 2.19427572 1 Li Li1 1 -0.00000000 0.00000000 0.00111327 1 Li Li2 1 2.06056787 0.00000000 2.32197842 1 Si Si3 1 -0.00000000 0.00000000 4.49331276 1 [/CIF]
BiLi2Si
Imm2
44
orthorhombic
mm2
5,305.982634
false
[CIF] data_LiGaCoCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06621858 _cell_length_b 4.06621858 _cell_length_c 4.06621858 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGaCoCu _chemical_formula_sum 'Li1 Ga1 Co1 Cu1' _cell_volume 47.53977948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43762536 1.43762536 1.43762536 1 Cu Cu1 1 4.31287610 4.31287610 4.31287610 1 Ga Ga2 1 2.87525073 2.87525073 2.87525073 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoCuGaLi
F-43m
216
cubic
-43m
6,955.965274
false
[CIF] data_ScTi4Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37142346 _cell_length_b 5.37142346 _cell_length_c 5.37142346 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTi4Cu _chemical_formula_sum 'Sc1 Ti4 Cu1' _cell_volume 109.58552081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.69725493 5.69725493 5.69725493 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 4.76005586 4.76005586 2.83628404 1 Ti Ti3 1 4.76005586 2.83628404 4.76005586 1 Ti Ti4 1 2.83628404 4.76005586 4.76005586 1 Ti Ti5 1 2.83628404 2.83628404 2.83628404 1 [/CIF]
CuScTi4
F-43m
216
cubic
-43m
4,545.415799
false
[CIF] data_TiSbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09176883 _cell_length_b 3.09176883 _cell_length_c 10.89789324 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSbSe2 _chemical_formula_sum 'Ti1 Sb1 Se2' _cell_volume 104.17333777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 5.44894662 1 Se Se1 1 1.54588442 1.54588442 9.30630672 1 Se Se2 1 1.54588442 1.54588442 1.59158652 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SbSe2Ti
P4/mmm
123
tetragonal
4/mmm
5,221.166871
false
[CIF] data_AlInGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90114420 _cell_length_b 4.90114420 _cell_length_c 4.90114420 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlInGe2 _chemical_formula_sum 'Al1 In1 Ge2' _cell_volume 83.24869678 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 3.46563230 3.46563230 3.46563230 1 Ge Ge2 1 5.19844845 5.19844845 5.19844845 1 In In3 1 1.73281615 1.73281615 1.73281615 1 [/CIF]
AlGe2In
F-43m
216
cubic
-43m
5,726.297318
false
[CIF] data_LiVP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09240578 _cell_length_b 3.09240578 _cell_length_c 6.98965513 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVP2 _chemical_formula_sum 'Li1 V1 P2' _cell_volume 57.88677223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.54620289 0.89270066 5.09147162 1 P P2 1 0.00000000 1.78540131 1.89818351 1 V V3 1 0.00000000 0.00000000 3.49482757 1 [/CIF]
LiP2V
P-3m1
164
trigonal
-3m
3,437.442247
false
[CIF] data_MnInCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36045124 _cell_length_b 4.36045124 _cell_length_c 4.36045124 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnInCu _chemical_formula_sum 'Mn1 In1 Cu1' _cell_volume 58.62452071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.08330464 3.08330464 3.08330464 1 In In1 1 1.54165232 1.54165232 1.54165232 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuInMn
F-43m
216
cubic
-43m
6,608.278505
false
[CIF] data_Co2NiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83590600 _cell_length_b 3.83590600 _cell_length_c 3.76130695 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2NiBi _chemical_formula_sum 'Co2 Ni1 Bi1' _cell_volume 55.34452809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91795300 1.91795300 0.00000000 1 Co Co1 1 1.91795300 0.00000000 1.88065348 1 Co Co2 1 0.00000000 1.91795300 1.88065348 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCo2Ni
P4/mmm
123
tetragonal
4/mmm
11,567.621395
false
[CIF] data_Th _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56713628 _cell_length_b 3.56713628 _cell_length_c 3.56713628 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th _chemical_formula_sum Th1 _cell_volume 32.09549702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Th Th0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Th
Fm-3m
225
cubic
m-3m
12,005.056765
false
[CIF] data_SrOs2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49303429 _cell_length_b 5.49303429 _cell_length_c 3.11950116 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.62908754 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrOs2Cl _chemical_formula_sum 'Sr1 Os2 Cl1' _cell_volume 84.14178718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.44262369 2.33713356 1.55975058 1 Os Os2 1 1.44262369 -2.33713356 1.55975058 1 Sr Sr3 1 2.88524739 -0.00000000 0.00000000 1 [/CIF]
ClOs2Sr
Cmmm
65
orthorhombic
mmm
9,937.22912
false
[CIF] data_MgCdCuC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35247861 _cell_length_b 4.35247861 _cell_length_c 4.35247861 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCdCuC _chemical_formula_sum 'Mg1 Cd1 Cu1 C1' _cell_volume 58.30354189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 4.61650071 4.61650071 4.61650071 1 Cu Cu2 1 3.07766714 3.07766714 3.07766714 1 Mg Mg3 1 1.53883357 1.53883357 1.53883357 1 [/CIF]
CCdCuMg
F-43m
216
cubic
-43m
6,045.723805
false
[CIF] data_Ca _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89044914 _cell_length_b 3.89044914 _cell_length_c 6.44937587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca _chemical_formula_sum Ca2 _cell_volume 84.53718937 _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 2.24615186 1.61234397 1 Ca Ca1 1 1.94522457 1.12307593 4.83703190 1 [/CIF]
Ca2
P6_3/mmc
194
hexagonal
6/mmm
1,574.480656
false
[CIF] data_Ti2CuAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30399897 _cell_length_b 4.18872670 _cell_length_c 4.58349140 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CuAg _chemical_formula_sum 'Ti2 Cu1 Ag1' _cell_volume 63.43345246 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09436335 2.29174570 1 Cu Cu1 1 1.65199948 0.00000000 2.29174570 1 Ti Ti2 1 1.65199948 2.09436335 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCuTi2
Pmmm
47
orthorhombic
mmm
6,993.313551
false
[CIF] data_NbCoPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22047648 _cell_length_b 3.22047648 _cell_length_c 8.45793573 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCoPb2 _chemical_formula_sum 'Nb1 Co1 Pb2' _cell_volume 87.72121618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.63304896 1 Nb Nb1 1 1.61023824 1.61023824 5.82673604 1 Pb Pb2 1 0.00000000 0.00000000 8.03148568 1 Pb Pb3 1 1.61023824 1.61023824 2.65356865 1 [/CIF]
CoNbPb2
P4mm
99
tetragonal
4mm
10,718.763103
false
[CIF] data_BeTeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18943331 _cell_length_b 3.77778109 _cell_length_c 6.56632820 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.35655748 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTeAs2 _chemical_formula_sum 'Be1 Te1 As2' _cell_volume 99.19173311 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16167093 0.00000000 5.58462552 1 As As1 1 0.79298669 1.88889055 4.57224851 1 Be Be2 1 2.61495564 0.00000000 3.41598980 1 Te Te3 1 2.10156532 1.88889055 2.09549170 1 [/CIF]
As2BeTe
Pm
6
monoclinic
m
4,795.463672
false
[CIF] data_MgNi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32884483 _cell_length_b 4.32884483 _cell_length_c 3.38671161 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNi2Pb _chemical_formula_sum 'Mg1 Ni2 Pb1' _cell_volume 63.46324193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 0.00000000 2.16442242 1.69335581 1 Ni Ni2 1 2.16442242 0.00000000 1.69335581 1 Pb Pb3 1 2.16442242 2.16442242 0.00000000 1 [/CIF]
MgNi2Pb
P4/mmm
123
tetragonal
4/mmm
9,128.882268
false
[CIF] data_HfSbRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14616028 _cell_length_b 3.14616028 _cell_length_c 7.28282619 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSbRu2 _chemical_formula_sum 'Hf1 Sb1 Ru2' _cell_volume 72.08777696 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57308014 1.57308014 5.75001865 1 Ru Ru1 1 0.00000000 0.00000000 0.01861002 1 Ru Ru2 1 1.57308014 1.57308014 1.81726650 1 Sb Sb3 1 0.00000000 0.00000000 3.33834418 1 [/CIF]
HfRu2Sb
P4mm
99
tetragonal
4mm
11,572.533609
false
[CIF] data_SmMn2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43031955 _cell_length_b 4.43031955 _cell_length_c 4.43031955 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmMn2Fe _chemical_formula_sum 'Sm1 Mn2 Fe1' _cell_volume 61.48797067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 4.69906350 4.69906350 4.69906350 1 Mn Mn2 1 1.56635450 1.56635450 1.56635450 1 Sm Sm3 1 3.13270900 3.13270900 3.13270900 1 [/CIF]
FeMn2Sm
Fm-3m
225
cubic
m-3m
8,536.059857
false
[CIF] data_Nb2SnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83730404 _cell_length_b 4.83730404 _cell_length_c 3.19088941 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2SnCl _chemical_formula_sum 'Nb2 Sn1 Cl1' _cell_volume 74.66524986 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41865202 1.59544471 1 Nb Nb2 1 2.41865202 0.00000000 1.59544471 1 Sn Sn3 1 2.41865202 2.41865202 0.00000000 1 [/CIF]
ClNb2Sn
P4/mmm
123
tetragonal
4/mmm
7,560.987638
false
[CIF] data_Sc2CrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97759958 _cell_length_b 2.97759958 _cell_length_c 8.16961252 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CrOs _chemical_formula_sum 'Sc2 Cr1 Os1' _cell_volume 72.43259551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.42331889 1 Os Os1 1 1.48879979 1.48879979 5.77537849 1 Sc Sc2 1 0.00000000 0.00000000 7.69433485 1 Sc Sc3 1 1.48879979 1.48879979 2.53099898 1 [/CIF]
CrOsSc2
P4mm
99
tetragonal
4mm
7,614.361938
false
[CIF] data_ZrMnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64716232 _cell_length_b 5.64716232 _cell_length_c 5.64716232 _cell_angle_alpha 150.13085567 _cell_angle_beta 150.13085567 _cell_angle_gamma 42.74935502 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnCr _chemical_formula_sum 'Zr1 Mn1 Cr1' _cell_volume 44.55372020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.20735261 1 Mn Mn1 1 0.00000000 -0.00000000 3.81216938 1 Zr Zr2 1 0.00000000 0.00000000 7.01541193 1 [/CIF]
CrMnZr
I4mm
107
tetragonal
4mm
7,385.455359
false
[CIF] data_Sr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26107304 _cell_length_b 4.26107304 _cell_length_c 4.26107304 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr _chemical_formula_sum Sr1 _cell_volume 54.70687875 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sr
Fm-3m
225
cubic
m-3m
2,659.563776
false
[CIF] data_MnReOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64893938 _cell_length_b 4.64893938 _cell_length_c 4.64893938 _cell_angle_alpha 131.28231331 _cell_angle_beta 131.28231331 _cell_angle_gamma 71.36492457 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnReOs2 _chemical_formula_sum 'Mn1 Re1 Os2' _cell_volume 55.53423459 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.91745580 0.00000000 1.88807864 1 Os Os2 1 -0.00000000 1.91745580 1.88807864 1 Re Re3 1 0.00000000 -0.00000000 3.77615729 1 [/CIF]
MnOs2Re
I4/mmm
139
tetragonal
4/mmm
18,586.723466
false
[CIF] data_Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70377360 _cell_length_b 4.70377360 _cell_length_c 4.70377360 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn _chemical_formula_sum Sn2 _cell_volume 73.59092014 _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 1.66303510 1.66303510 1.66303510 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sn2
Fd-3m
227
cubic
m-3m
5,357.253102
false
[CIF] data_ReB2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92952505 _cell_length_b 3.92952505 _cell_length_c 2.87327047 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReB2As _chemical_formula_sum 'Re1 B2 As1' _cell_volume 44.36664950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 B B1 1 0.00000000 1.96476253 1.43663524 1 B B2 1 1.96476253 0.00000000 1.43663524 1 Re Re3 1 1.96476253 1.96476253 0.00000000 1 [/CIF]
AsB2Re
P4/mmm
123
tetragonal
4/mmm
10,582.688182
false
[CIF] data_LiNb2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73843759 _cell_length_b 7.73843759 _cell_length_c 7.73843759 _cell_angle_alpha 23.72655065 _cell_angle_beta 23.72655065 _cell_angle_gamma 23.72655065 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNb2B _chemical_formula_sum 'Li1 Nb2 B1' _cell_volume 65.90296903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.27587375 1 Li Li1 1 0.00000000 -0.00000000 -0.00000000 1 Nb Nb2 1 0.00000000 0.00000000 5.00838590 1 Nb Nb3 1 -0.00000000 0.00000000 17.54336160 1 [/CIF]
BLiNb2
R-3m
166
trigonal
-3m
5,129.16552
false
[CIF] data_Ag2H6C6SN4O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.38934597 _cell_length_b 8.56127994 _cell_length_c 8.86114067 _cell_angle_alpha 88.28716848 _cell_angle_beta 74.29659704 _cell_angle_gamma 67.31716288 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2H6C6SN4O5 _chemical_formula_sum 'Ag4 H12 C12 S2 N8 O10' _cell_volume 563.30388387 _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 Ag Ag0 1 3.51278230 0.94229418 7.82710017 1 Ag Ag1 1 10.57638258 6.24146430 0.67325830 1 Ag Ag2 1 7.97518299 4.42266956 1.25992301 1 Ag Ag3 1 6.11398189 2.76108892 7.24043545 1 H H4 1 7.78946871 7.31991711 1.46771768 1 H H5 1 6.29969617 -0.13615862 7.03264078 1 H H6 1 6.61990016 6.77919722 0.58564654 1 H H7 1 7.46926472 0.40456127 7.91471193 1 H H8 1 2.56539439 0.23924181 4.81026773 1 H H9 1 11.52377049 6.94451668 3.69009073 1 H H10 1 5.56943177 4.04647299 4.24258365 1 H H11 1 8.51973312 3.13728550 4.25777481 1 H H12 1 1.66715160 0.56836466 2.26594408 1 H H13 1 12.42201329 6.61539382 6.23441439 1 H H14 1 4.72520853 4.33498286 1.67711965 1 H H15 1 9.36395636 2.84877563 6.82323882 1 C C16 1 3.16758725 1.12363262 4.59490050 1 C C17 1 10.92157763 6.06012586 3.90545796 1 C C18 1 3.20715793 1.74334885 3.32347317 1 C C19 1 10.88200696 5.44040964 5.17688529 1 C C20 1 4.06641873 2.84506601 3.16643202 1 C C21 1 10.02274615 4.33869248 5.33392645 1 C C22 1 4.84093650 3.23431646 4.28365658 1 C C23 1 9.24822838 3.94944203 4.21670188 1 C C24 1 2.40147349 1.37217913 2.21898610 1 C C25 1 11.68769139 5.81157936 6.28137236 1 C C26 1 4.08350989 3.48171256 1.90305317 1 C C27 1 10.00565499 3.70204593 6.59730530 1 S S28 1 6.87283752 1.46282400 1.35955183 1 S S29 1 7.21632736 5.72093449 7.14080663 1 N N30 1 3.85676505 1.58772742 5.62143440 1 N N31 1 10.23239983 5.59603107 2.87892406 1 N N32 1 4.71116216 2.64585772 5.46022295 1 N N33 1 9.37800272 4.53790077 3.04013552 1 N N34 1 2.44105485 2.03513958 1.07921314 1 N N35 1 11.64811003 5.14861891 7.42114532 1 N N36 1 3.30452793 3.08622762 0.91382096 1 N N37 1 10.78463695 4.09753087 7.58653750 1 O O38 1 6.83954432 2.57349916 2.36570726 1 O O39 1 7.24962056 4.61025933 6.13465120 1 O O40 1 7.24979260 2.02493006 0.01760586 1 O O41 1 6.83937229 5.15882843 8.48275260 1 O O42 1 5.50920529 0.85710145 1.22116139 1 O O43 1 8.57995960 6.32665704 7.27919707 1 O O44 1 7.86397116 0.43540651 1.79203653 1 O O45 1 6.22519372 6.74835198 6.70832193 1 O O46 1 7.04526084 6.66497195 1.47330317 1 O O47 1 7.04390404 0.51878654 7.02705529 1 [/CIF]
C12H12Ag4N8O10S2
P-1
2
triclinic
-1
2,723.448296
true