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_ZnGaSnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65780037 _cell_length_b 4.65780037 _cell_length_c 4.65780037 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGaSnMo _chemical_formula_sum 'Zn1 Ga1 Sn1 Mo1' _cell_volume 71.45417618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29356223 3.29356223 3.29356223 1 Mo Mo1 1 1.64678112 1.64678112 1.64678112 1 Sn Sn2 1 4.94034335 4.94034335 4.94034334 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaMoSnZn
F-43m
216
cubic
-43m
8,128.450455
false
[CIF] data_MgZr2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39339609 _cell_length_b 4.39339609 _cell_length_c 4.51770962 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZr2Sb _chemical_formula_sum 'Mg1 Zr2 Sb1' _cell_volume 87.20051125 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 2.19669805 2.19669805 0.00000000 1 Zr Zr2 1 2.19669805 0.00000000 2.25885481 1 Zr Zr3 1 0.00000000 2.19669805 2.25885481 1 [/CIF]
MgSbZr2
P4/mmm
123
tetragonal
4/mmm
6,255.796699
false
[CIF] data_HfBiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08371616 _cell_length_b 6.08371616 _cell_length_c 6.08371616 _cell_angle_alpha 143.33327812 _cell_angle_beta 130.18371288 _cell_angle_gamma 63.42536757 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBiSb2 _chemical_formula_sum 'Hf1 Bi1 Sb2' _cell_volume 101.50224699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 5.17538548 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 -0.00000000 2.56224667 2.67701586 1 Sb Sb3 1 1.91360380 -0.00000000 2.49836962 1 [/CIF]
BiHfSb2
Immm
71
orthorhombic
mmm
10,322.768618
false
[CIF] data_HfTiFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20584891 _cell_length_b 5.20584891 _cell_length_c 5.20584891 _cell_angle_alpha 144.88888432 _cell_angle_beta 132.98993110 _cell_angle_gamma 60.00608829 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTiFe2 _chemical_formula_sum 'Hf1 Ti1 Fe2' _cell_volume 58.79150668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07624689 0.04403190 1 Fe Fe1 1 0.00000000 0.00000000 6.65932400 1 Hf Hf2 1 -0.00000000 2.07624689 4.45232730 1 Ti Ti3 1 -0.00000000 0.00000000 2.36909413 1 [/CIF]
Fe2HfTi
Imm2
44
orthorhombic
mm2
9,548.119175
false
[CIF] data_NaBeCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.78126331 _cell_length_b 8.78126331 _cell_length_c 8.78126331 _cell_angle_alpha 17.47556600 _cell_angle_beta 17.47556600 _cell_angle_gamma 17.47556600 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBeCu2 _chemical_formula_sum 'Na1 Be1 Cu2' _cell_volume 53.29210445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 -0.00000000 19.04205352 1 Cu Cu2 1 -0.00000000 0.00000000 6.89327144 1 Na Na3 1 -0.00000000 0.00000000 12.96766248 1 [/CIF]
BeCu2Na
R-3m
166
trigonal
-3m
4,957.239426
false
[CIF] data_KGe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32301320 _cell_length_b 5.32301320 _cell_length_c 5.32301320 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGe2Te _chemical_formula_sum 'K1 Ge2 Te1' _cell_volume 106.64920724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88196937 1.88196937 1.88196937 1 Ge Ge1 1 5.64590810 5.64590810 5.64590810 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.76393873 3.76393873 3.76393873 1 [/CIF]
Ge2KTe
Fm-3m
225
cubic
m-3m
4,857.534045
false
[CIF] data_ZrV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30012486 _cell_length_b 5.30012486 _cell_length_c 6.75201509 _cell_angle_alpha 110.79437050 _cell_angle_beta 110.79437050 _cell_angle_gamma 34.43716916 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrV2 _chemical_formula_sum 'Zr2 V4' _cell_volume 99.57678584 _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 V V0 1 3.31624940 -0.00000000 4.38798514 1 V V1 1 0.21676647 0.00000000 3.52231045 1 V V2 1 7.39886653 -0.00000000 2.74601646 1 V V3 1 4.29938360 -0.00000000 1.88034177 1 Zr Zr4 1 1.38689350 -0.00000000 0.58196166 1 Zr Zr5 1 6.22873950 -0.00000000 5.68636526 1 [/CIF]
V4Zr2
C2/m
12
monoclinic
2/m
6,440.491422
false
[CIF] data_K2HgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68170973 _cell_length_b 5.68170973 _cell_length_c 5.68170973 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2HgSe _chemical_formula_sum 'K2 Hg1 Se1' _cell_volume 129.69467048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.02636322 6.02636322 6.02636322 1 K K1 1 2.00878774 2.00878774 2.00878774 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 4.01757548 4.01757548 4.01757548 1 [/CIF]
HgK2Se
F-43m
216
cubic
-43m
4,580.390259
false
[CIF] data_NbRe2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21976886 _cell_length_b 5.21976886 _cell_length_c 5.21976886 _cell_angle_alpha 144.94062810 _cell_angle_beta 128.95198607 _cell_angle_gamma 63.43414361 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRe2Os _chemical_formula_sum 'Nb1 Re2 Os1' _cell_volume 62.80402567 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.38949570 1 Os Os1 1 -0.00000000 2.24914225 2.16052228 1 Re Re2 1 -0.00000000 -0.00000000 0.06894916 1 Re Re3 1 1.57219384 0.00000000 2.26147263 1 [/CIF]
NbOsRe2
Imm2
44
orthorhombic
mm2
17,332.758601
false
[CIF] data_Hf2GeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26126570 _cell_length_b 3.26126570 _cell_length_c 9.19828617 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2GeBi _chemical_formula_sum 'Hf2 Ge1 Bi1' _cell_volume 97.83162818 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63063285 1.63063285 4.39707918 1 Ge Ge1 1 0.00000000 0.00000000 7.42261332 1 Hf Hf2 1 1.63063285 1.63063285 9.14686444 1 Hf Hf3 1 0.00000000 0.00000000 2.02915849 1 [/CIF]
BiGeHf2
P4mm
99
tetragonal
4mm
10,839.751681
false
[CIF] data_CaMg2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03075784 _cell_length_b 5.03075784 _cell_length_c 5.03075784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg2Zn _chemical_formula_sum 'Ca1 Mg2 Zn1' _cell_volume 90.02958310 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 1.77864149 1.77864149 1.77864149 1 Mg Mg2 1 5.33592447 5.33592447 5.33592447 1 Zn Zn3 1 3.55728298 3.55728298 3.55728298 1 [/CIF]
CaMg2Zn
Fm-3m
225
cubic
m-3m
2,841.687411
false
[CIF] data_CrNiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22125249 _cell_length_b 4.22125249 _cell_length_c 2.62878112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrNiAu _chemical_formula_sum 'Cr1 Ni1 Au1' _cell_volume 40.56651665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.11062626 1.21857062 2.53110826 1 Cr Cr1 1 0.00000000 0.00000000 1.17753735 1 Ni Ni2 1 0.00000002 2.43714125 1.54891664 1 [/CIF]
AuCrNi
P3m1
156
trigonal
3m
12,593.512195
false
[CIF] data_CrCo2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10533253 _cell_length_b 4.10533253 _cell_length_c 4.10533253 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCo2Ru _chemical_formula_sum 'Cr1 Co2 Ru1' _cell_volume 48.92490864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45145423 1.45145424 1.45145424 1 Co Co1 1 4.35436271 4.35436271 4.35436271 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 2.90290847 2.90290847 2.90290847 1 [/CIF]
Co2CrRu
Fm-3m
225
cubic
m-3m
9,195.601926
false
[CIF] data_CuAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05427148 _cell_length_b 4.05427148 _cell_length_c 4.05427148 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAu3 _chemical_formula_sum 'Cu1 Au3' _cell_volume 66.64053561 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 2.02713574 2.02713574 0.00000000 1 Au Au2 1 2.02713574 0.00000000 2.02713574 1 Au Au3 1 0.00000000 2.02713574 2.02713574 1 [/CIF]
Au3Cu
Pm-3m
221
cubic
m-3m
16,307.381888
false
[CIF] data_CaCrPtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52571882 _cell_length_b 4.52571882 _cell_length_c 4.52571882 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCrPtW _chemical_formula_sum 'Ca1 Cr1 Pt1 W1' _cell_volume 65.54622845 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 4.80024971 4.80024971 4.80024971 1 Pt Pt2 1 3.20016647 3.20016647 3.20016647 1 W W3 1 1.60008324 1.60008324 1.60008324 1 [/CIF]
CaCrPtW
F-43m
216
cubic
-43m
11,932.200584
false
[CIF] data_CdPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49598081 _cell_length_b 8.49598081 _cell_length_c 8.49598081 _cell_angle_alpha 152.31041488 _cell_angle_beta 152.31041488 _cell_angle_gamma 39.56016609 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdPt3 _chemical_formula_sum 'Cd2 Pt6' _cell_volume 132.17459687 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 -0.00000000 6.00000219 1 Cd Cd1 1 0.00000000 0.00000000 9.98940757 1 Pt Pt2 1 0.00000000 -0.00000000 1.98525063 1 Pt Pt3 1 0.00000000 2.03302530 3.99735244 1 Pt Pt4 1 0.00000000 2.03302530 -0.00000000 1 Pt Pt5 1 0.00000000 -0.00000000 14.00415913 1 Pt Pt6 1 2.03302530 0.00000000 3.99735244 1 Pt Pt7 1 2.03302530 0.00000000 -0.00000000 1 [/CIF]
Cd2Pt6
I4/mmm
139
tetragonal
4/mmm
17,529.793081
false
[CIF] data_ZrScFePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78006928 _cell_length_b 4.78006928 _cell_length_c 4.78006928 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScFePb _chemical_formula_sum 'Zr1 Sc1 Fe1 Pb1' _cell_volume 77.23027381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69000970 1.69000970 1.69000970 1 Pb Pb1 1 3.38001940 3.38001940 3.38001940 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 5.07002910 5.07002910 5.07002910 1 [/CIF]
FePbScZr
F-43m
216
cubic
-43m
8,583.791434
false
[CIF] data_LiV2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.00880033 _cell_length_b 10.00880033 _cell_length_c 10.00880033 _cell_angle_alpha 15.98394171 _cell_angle_beta 15.98394171 _cell_angle_gamma 15.98394171 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiV2Hg _chemical_formula_sum 'Li1 V2 Hg1' _cell_volume 66.26903247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 14.81846194 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 -0.00000000 -0.00000000 22.22591558 1 V V3 1 0.00000000 -0.00000000 7.41100830 1 [/CIF]
HgLiV2
R-3m
166
trigonal
-3m
7,753.154307
false
[CIF] data_K2GdAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87790290 _cell_length_b 5.87790290 _cell_length_c 5.87790290 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2GdAg _chemical_formula_sum 'K2 Gd1 Ag1' _cell_volume 143.59926753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Gd Gd1 1 4.15630500 4.15630500 4.15630500 1 K K2 1 2.07815250 2.07815250 2.07815250 1 K K3 1 6.23445750 6.23445750 6.23445750 1 [/CIF]
AgGdK2
Fm-3m
225
cubic
m-3m
3,969.989871
false
[CIF] data_BaMnNbTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11672389 _cell_length_b 5.11672389 _cell_length_c 5.11672389 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnNbTl _chemical_formula_sum 'Ba1 Mn1 Nb1 Tl1' _cell_volume 94.72420051 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80903508 1.80903508 1.80903508 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 5.42710524 5.42710524 5.42710524 1 Tl Tl3 1 3.61807016 3.61807016 3.61807016 1 [/CIF]
BaMnNbTl
F-43m
216
cubic
-43m
8,582.017497
false
[CIF] data_YAgBiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02689982 _cell_length_b 5.02689982 _cell_length_c 5.02689982 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAgBiPd _chemical_formula_sum 'Y1 Ag1 Bi1 Pd1' _cell_volume 89.82261466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.55455495 3.55455495 3.55455495 1 Bi Bi1 1 1.77727748 1.77727748 1.77727748 1 Pd Pd2 1 5.33183243 5.33183243 5.33183243 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBiPdY
F-43m
216
cubic
-43m
9,468.502853
false
[CIF] data_TiCdInCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68353516 _cell_length_b 4.68353516 _cell_length_c 4.68353516 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCdInCu _chemical_formula_sum 'Ti1 Cd1 In1 Cu1' _cell_volume 72.64510507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31175947 3.31175947 3.31175947 1 Cu Cu1 1 4.96763921 4.96763921 4.96763921 1 In In2 1 1.65587974 1.65587974 1.65587974 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCuInTi
F-43m
216
cubic
-43m
7,740.759272
false
[CIF] data_CuReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03889541 _cell_length_b 4.03889541 _cell_length_c 4.03889541 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuReTc _chemical_formula_sum 'Cu1 Re1 Tc1' _cell_volume 46.58786644 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.42796517 1.42796517 1.42796517 1 Tc Tc2 1 4.28389550 4.28389550 4.28389550 1 [/CIF]
CuReTc
F-43m
216
cubic
-43m
12,427.317815
false
[CIF] data_YZnRhC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34759288 _cell_length_b 4.34759288 _cell_length_c 4.34759288 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnRhC _chemical_formula_sum 'Y1 Zn1 Rh1 C1' _cell_volume 58.10742226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 1.53710620 1.53710620 1.53710620 1 Rh Rh1 1 4.61131862 4.61131862 4.61131862 1 Zn Zn2 1 3.07421241 3.07421241 3.07421241 1 C C3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CRhYZn
F-43m
216
cubic
-43m
7,693.002089
false
[CIF] data_Be2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62894502 _cell_length_b 4.62894502 _cell_length_c 4.62894502 _cell_angle_alpha 104.62956488 _cell_angle_beta 104.62956488 _cell_angle_gamma 119.66069480 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2Ga _chemical_formula_sum 'Be4 Ga2' _cell_volume 74.51386629 _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 Be Be0 1 0.78634165 2.04343836 0.00000000 1 Be Be1 1 2.04343836 0.78634165 2.32633234 1 Be Be2 1 3.61612166 0.78634165 0.00000000 1 Be Be3 1 -0.78634165 2.04343836 2.32633234 1 Ga Ga4 1 0.00000000 0.00000000 3.48949851 1 Ga Ga5 1 0.00000000 0.00000000 1.16316617 1 [/CIF]
Be4Ga2
I4/mcm
140
tetragonal
4/mmm
3,910.894258
false
[CIF] data_Hg5Pd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.29036440 _cell_length_b 8.29036440 _cell_length_c 5.77762399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg5Pd4 _chemical_formula_sum 'Hg10 Pd8' _cell_volume 343.89601728 _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 Hg Hg0 1 2.36903555 0.00000000 4.33321799 1 Hg Hg1 1 -1.18451777 2.05164496 4.33321799 1 Hg Hg2 1 2.96066443 5.12802121 4.33321799 1 Hg Hg3 1 5.92132885 0.00000000 1.44440600 1 Hg Hg4 1 -2.96066443 5.12802121 1.44440600 1 Hg Hg5 1 1.18451777 2.05164496 1.44440600 1 Hg Hg6 1 -0.00000000 4.78644412 2.88881200 1 Hg Hg7 1 4.14518220 2.39322206 0.00000000 1 Hg Hg8 1 4.14518220 2.39322206 2.88881200 1 Hg Hg9 1 -0.00000000 4.78644412 0.00000000 1 Pd Pd10 1 0.00000000 0.00000000 2.88881200 1 Pd Pd11 1 0.00000000 0.00000000 0.00000000 1 Pd Pd12 1 5.14247747 0.00000000 4.33321799 1 Pd Pd13 1 -2.57123873 4.45351613 4.33321799 1 Pd Pd14 1 1.57394346 2.72615005 4.33321799 1 Pd Pd15 1 3.14788693 0.00000000 1.44440600 1 Pd Pd16 1 -1.57394346 2.72615005 1.44440600 1 Pd Pd17 1 2.57123873 4.45351613 1.44440600 1 [/CIF]
Hg10Pd8
P6_3/mcm
193
hexagonal
6/mmm
13,796.588551
false
[CIF] data_NbSbAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37994598 _cell_length_b 3.37994598 _cell_length_c 6.97386570 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSbAs2 _chemical_formula_sum 'Nb1 Sb1 As2' _cell_volume 79.66968464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.68997299 1.68997299 5.60744774 1 As As1 1 1.68997299 1.68997299 1.36641796 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 3.48693285 1 [/CIF]
As2NbSb
P4/mmm
123
tetragonal
4/mmm
7,597.399192
false
[CIF] data_Ba2InMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79742440 _cell_length_b 5.79742440 _cell_length_c 4.34050892 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2InMo _chemical_formula_sum 'Ba2 In1 Mo1' _cell_volume 145.88506740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.89871220 2.17025446 1 Ba Ba1 1 2.89871220 0.00000000 2.17025446 1 In In2 1 2.89871220 2.89871220 0.00000000 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2InMo
P4/mmm
123
tetragonal
4/mmm
5,525.497775
false
[CIF] data_FeSbTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21386916 _cell_length_b 6.21386916 _cell_length_c 6.21386916 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSbTe4 _chemical_formula_sum 'Fe1 Sb1 Te4' _cell_volume 169.65681725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19693451 2.19693451 2.19693451 1 Te Te2 1 3.29354676 3.29354676 5.49419128 1 Te Te3 1 3.29354676 5.49419128 3.29354676 1 Te Te4 1 5.49419128 3.29354676 3.29354676 1 Te Te5 1 5.49419128 5.49419128 5.49419128 1 [/CIF]
FeSbTe4
F-43m
216
cubic
-43m
6,733.942078
false
[CIF] data_NaGa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46621863 _cell_length_b 4.46621863 _cell_length_c 3.04978112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGa2Fe _chemical_formula_sum 'Na1 Ga2 Fe1' _cell_volume 60.83431597 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23310932 2.23310932 0.00000000 1 Ga Ga1 1 2.23310932 0.00000000 1.52489056 1 Ga Ga2 1 0.00000000 2.23310932 1.52489056 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeGa2Na
P4/mmm
123
tetragonal
4/mmm
5,958.211892
false
[CIF] data_MgMnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65603396 _cell_length_b 4.65603396 _cell_length_c 4.65603396 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMnCl _chemical_formula_sum 'Mg1 Mn1 Cl1' _cell_volume 71.37291285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29231319 3.29231319 3.29231319 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 1.64615660 1.64615660 1.64615660 1 [/CIF]
ClMgMn
F-43m
216
cubic
-43m
2,668.481023
false
[CIF] data_YbU2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95749275 _cell_length_b 4.95749275 _cell_length_c 4.95749275 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbU2Tc _chemical_formula_sum 'Yb1 U2 Tc1' _cell_volume 86.15317053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 -0.00000000 0.00000000 0.00000000 1 U U1 1 1.75273837 1.75273837 1.75273837 1 U U2 1 5.25821511 5.25821511 5.25821511 1 Yb Yb3 1 3.50547674 3.50547674 3.50547674 1 [/CIF]
TcU2Yb
Fm-3m
225
cubic
m-3m
14,417.497778
false
[CIF] data_HfCrPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50583016 _cell_length_b 4.50583016 _cell_length_c 4.50583016 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrPt2 _chemical_formula_sum 'Hf1 Cr1 Pt2' _cell_volume 64.68587452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.18610306 3.18610306 3.18610306 1 Pt Pt2 1 4.77915459 4.77915459 4.77915459 1 Pt Pt3 1 1.59305153 1.59305153 1.59305153 1 [/CIF]
CrHfPt2
Fm-3m
225
cubic
m-3m
15,932.696089
false
[CIF] data_YZrGaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84466391 _cell_length_b 4.84466391 _cell_length_c 4.84466391 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrGaIr _chemical_formula_sum 'Y1 Zr1 Ga1 Ir1' _cell_volume 80.40368676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.42569470 3.42569470 3.42569470 1 Y Y2 1 1.71284735 1.71284735 1.71284735 1 Zr Zr3 1 5.13854205 5.13854205 5.13854205 1 [/CIF]
GaIrYZr
F-43m
216
cubic
-43m
9,129.858165
false
[CIF] data_Ta4AlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49875025 _cell_length_b 5.49875025 _cell_length_c 5.49875025 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4AlHg _chemical_formula_sum 'Ta4 Al1 Hg1' _cell_volume 117.56471257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.94410180 1.94410180 1.94410180 1 Ta Ta2 1 2.90716832 2.90716832 4.86923886 1 Ta Ta3 1 2.90716832 4.86923886 2.90716832 1 Ta Ta4 1 4.86923886 2.90716832 2.90716832 1 Ta Ta5 1 4.86923886 4.86923886 4.86923886 1 [/CIF]
AlHgTa4
F-43m
216
cubic
-43m
13,437.497449
false
[CIF] data_FeCuCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17845772 _cell_length_b 3.17845772 _cell_length_c 6.35052742 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCuCl2 _chemical_formula_sum 'Fe1 Cu1 Cl2' _cell_volume 64.15679689 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58922886 1.58922886 1.53674432 1 Cl Cl1 1 1.58922886 1.58922886 4.81378310 1 Cu Cu2 1 0.00000000 0.00000000 3.17526371 1 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2CuFe
P4/mmm
123
tetragonal
4/mmm
4,925.364389
false
[CIF] data_TaReSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10459011 _cell_length_b 4.22096871 _cell_length_c 5.35797034 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaReSe2 _chemical_formula_sum 'Ta1 Re1 Se2' _cell_volume 70.21286710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 0.00000000 2.11048436 2.67898517 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.55229506 0.00000000 2.67898517 1 Ta Ta3 1 1.55229506 2.11048436 0.00000000 1 [/CIF]
ReSe2Ta
Pmmm
47
orthorhombic
mmm
12,418.056506
false
[CIF] data_Pr2NiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02873130 _cell_length_b 5.02873130 _cell_length_c 5.02873130 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2NiIr _chemical_formula_sum 'Pr2 Ni1 Ir1' _cell_volume 89.92082709 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pr Pr0 1 5.33377500 5.33377500 5.33377500 1 Pr Pr1 1 1.77792500 1.77792500 1.77792500 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 3.55585000 3.55585000 3.55585000 1 [/CIF]
IrNiPr2
Fm-3m
225
cubic
m-3m
9,837.6746
false
[CIF] data_MgTiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61998257 _cell_length_b 5.61998257 _cell_length_c 5.61998257 _cell_angle_alpha 146.66377263 _cell_angle_beta 137.34617153 _cell_angle_gamma 55.18553192 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiPb _chemical_formula_sum 'Mg1 Ti1 Pb1' _cell_volume 65.64138206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.90800820 1 Pb Pb1 1 0.00000000 0.00000000 6.68324772 1 Ti Ti2 1 0.00000000 0.00000000 3.33185367 1 [/CIF]
MgPbTi
Imm2
44
orthorhombic
mm2
7,067.311893
false
[CIF] data_CsDy2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37686609 _cell_length_b 5.37686609 _cell_length_c 5.37686609 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsDy2W _chemical_formula_sum 'Cs1 Dy2 W1' _cell_volume 109.91897367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Dy Dy1 1 5.70302771 5.70302771 5.70302771 1 Dy Dy2 1 1.90100924 1.90100924 1.90100924 1 W W3 1 3.80201848 3.80201848 3.80201848 1 [/CIF]
CsDy2W
Fm-3m
225
cubic
m-3m
9,694.80844
false
[CIF] data_CaScCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10857999 _cell_length_b 3.10857999 _cell_length_c 8.08449877 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaScCr2 _chemical_formula_sum 'Ca1 Sc1 Cr2' _cell_volume 78.12269108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.45646723 1 Cr Cr1 1 1.55429000 1.55429000 0.64885767 1 Cr Cr2 1 0.00000000 0.00000000 1.58744332 1 Sc Sc3 1 1.55429000 1.55429000 3.43397994 1 [/CIF]
CaCr2Sc
P4mm
99
tetragonal
4mm
4,017.893959
false
[CIF] data_Ba3NbPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65488322 _cell_length_b 6.65488322 _cell_length_c 6.65488322 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3NbPb _chemical_formula_sum 'Ba3 Nb1 Pb1' _cell_volume 294.72794543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32744161 3.32744161 3.32744161 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Ba Ba2 1 3.32744161 0.00000000 3.32744161 1 Ba Ba3 1 3.32744161 3.32744161 0.00000000 1 Ba Ba4 1 0.00000000 3.32744161 3.32744161 1 [/CIF]
Ba3NbPb
Pm-3m
221
cubic
m-3m
4,012.001344
false
[CIF] data_SiTc3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70001396 _cell_length_b 4.70001396 _cell_length_c 4.70001396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiTc3W _chemical_formula_sum 'Si1 Tc3 W1' _cell_volume 103.82392513 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Tc Tc1 1 2.35000698 0.00000000 2.35000698 1 Tc Tc2 1 2.35000698 2.35000698 0.00000000 1 Tc Tc3 1 0.00000000 2.35000698 2.35000698 1 W W4 1 2.35000698 2.35000698 2.35000698 1 [/CIF]
SiTc3W
Pm-3m
221
cubic
m-3m
8,135.151873
false
[CIF] data_NaYb(Pd3O4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73395765 _cell_length_b 5.73395765 _cell_length_c 5.73395765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYb(Pd3O4)2 _chemical_formula_sum 'Na1 Yb1 Pd6 O8' _cell_volume 188.52260969 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 O O1 1 4.26720377 4.26720377 4.26720377 1 O O2 1 1.46675388 4.26720377 4.26720377 1 O O3 1 4.26720377 1.46675388 4.26720377 1 O O4 1 1.46675388 1.46675388 4.26720377 1 O O5 1 4.26720377 4.26720377 1.46675388 1 O O6 1 1.46675388 4.26720377 1.46675388 1 O O7 1 4.26720377 1.46675388 1.46675388 1 O O8 1 1.46675388 1.46675388 1.46675388 1 Pd Pd9 1 4.30493264 0.00000000 2.86697882 1 Pd Pd10 1 1.42902501 0.00000000 2.86697882 1 Pd Pd11 1 0.00000000 2.86697882 4.30493264 1 Pd Pd12 1 2.86697882 4.30493264 0.00000000 1 Pd Pd13 1 2.86697882 1.42902501 0.00000000 1 Pd Pd14 1 0.00000000 2.86697882 1.42902501 1 Yb Yb15 1 2.86697882 2.86697882 2.86697882 1 [/CIF]
NaO8Pd6Yb
Pm-3
200
cubic
m-3
8,478.382381
false
[CIF] data_BaZrCdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04585877 _cell_length_b 5.04585877 _cell_length_c 5.04585877 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrCdRh _chemical_formula_sum 'Ba1 Zr1 Cd1 Rh1' _cell_volume 90.84275011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78398047 1.78398047 1.78398047 1 Cd Cd1 1 5.35194142 5.35194142 5.35194142 1 Rh Rh2 1 3.56796095 3.56796095 3.56796095 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCdRhZr
F-43m
216
cubic
-43m
8,113.573436
false
[CIF] data_BaZnCO3F2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82330380 _cell_length_b 4.82330380 _cell_length_c 9.70766582 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZnCO3F2 _chemical_formula_sum 'Ba2 Zn2 C2 O6 F4' _cell_volume 195.58461201 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 4.85383291 1 Ba Ba1 1 0.00000000 0.00000000 0.00000000 1 C C2 1 2.41165190 1.39236787 7.28074937 1 C C3 1 0.00000000 2.78473574 2.42691646 1 F F4 1 0.00000000 2.78473574 5.25595753 1 F F5 1 -0.00000000 2.78473574 9.30554120 1 F F6 1 2.41165190 1.39236787 0.40212462 1 F F7 1 2.41165190 1.39236787 4.45170829 1 O O8 1 3.28334538 0.43967194 7.28074937 1 O O9 1 1.15074628 1.11380714 7.28074937 1 O O10 1 2.80086403 2.62362454 7.28074937 1 O O11 1 -0.38921213 1.55347908 2.42691646 1 O O12 1 1.26090562 3.06329648 2.42691646 1 O O13 1 -0.87169348 3.73743167 2.42691646 1 Zn Zn14 1 0.00000000 2.78473574 7.28074937 1 Zn Zn15 1 2.41165190 1.39236787 2.42691646 1 [/CIF]
C2Ba2F4O6Zn2
P6_3/m
176
hexagonal
6/m
5,105.961859
false
[CIF] data_Na3Li _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92894500 _cell_length_b 4.92894500 _cell_length_c 4.92894500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Li _chemical_formula_sum 'Na3 Li1' _cell_volume 119.74624845 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.46447250 2.46447250 0.00000000 1 Na Na2 1 2.46447250 0.00000000 2.46447250 1 Na Na3 1 0.00000000 2.46447250 2.46447250 1 [/CIF]
LiNa3
Pm-3m
221
cubic
m-3m
1,052.659548
false
[CIF] data_DyGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.97121345 _cell_length_b 9.97121345 _cell_length_c 9.97121345 _cell_angle_alpha 36.32623831 _cell_angle_beta 36.32623831 _cell_angle_gamma 36.32623831 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyGa3 _chemical_formula_sum 'Dy4 Ga12' _cell_volume 311.34529566 _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 Dy Dy0 1 -0.00000000 -0.00000000 3.61519759 1 Dy Dy1 1 -0.00000000 0.00000000 24.29341222 1 Dy Dy2 1 -0.00000000 0.00000000 8.03346543 1 Dy Dy3 1 -0.00000000 0.00000000 19.87514439 1 Ga Ga4 1 -1.34775095 -0.77812437 12.77691508 1 Ga Ga5 1 -0.00000000 1.55624875 12.77691508 1 Ga Ga6 1 1.34775095 -0.77812437 12.77691508 1 Ga Ga7 1 1.34775095 0.77812437 15.13169473 1 Ga Ga8 1 0.00000000 -1.55624875 15.13169473 1 Ga Ga9 1 -1.34775095 0.77812437 15.13169473 1 Ga Ga10 1 -1.56095584 -0.90121827 17.43912277 1 Ga Ga11 1 0.00000000 1.80243655 17.43912277 1 Ga Ga12 1 1.56095584 -0.90121827 17.43912277 1 Ga Ga13 1 1.56095584 0.90121827 10.46948704 1 Ga Ga14 1 0.00000000 -1.80243655 10.46948704 1 Ga Ga15 1 -1.56095584 0.90121827 10.46948704 1 [/CIF]
Dy4Ga12
R-3m
166
trigonal
-3m
7,929.085502
false
[CIF] data_La4BeCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32656410 _cell_length_b 6.32656410 _cell_length_c 6.32656410 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4BeCu _chemical_formula_sum 'La4 Be1 Cu1' _cell_volume 179.05594334 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23677819 2.23677819 2.23677819 1 La La2 1 5.59535495 3.35175781 3.35175781 1 La La3 1 3.35175781 3.35175781 5.59535495 1 La La4 1 3.35175781 5.59535495 3.35175781 1 La La5 1 5.59535495 5.59535495 5.59535495 1 [/CIF]
BeCuLa4
F-43m
216
cubic
-43m
5,825.65155
false
[CIF] data_LiGa2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02759782 _cell_length_b 4.02759782 _cell_length_c 3.23596299 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGa2Ni _chemical_formula_sum 'Li1 Ga2 Ni1' _cell_volume 52.49231680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01379891 0.00000000 1.61798149 1 Ga Ga1 1 0.00000000 2.01379891 1.61798149 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 2.01379891 2.01379891 0.00000000 1 [/CIF]
Ga2LiNi
P4/mmm
123
tetragonal
4/mmm
6,487.508495
false
[CIF] data_YPbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33006094 _cell_length_b 5.33006094 _cell_length_c 3.77162351 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPbSe2 _chemical_formula_sum 'Y1 Pb1 Se2' _cell_volume 107.15012527 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.66503047 2.66503047 0.00000000 1 Se Se1 1 2.66503047 0.00000000 1.88581175 1 Se Se2 1 0.00000000 2.66503047 1.88581175 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbSe2Y
P4/mmm
123
tetragonal
4/mmm
7,036.180866
false
[CIF] data_NaBiRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38957778 _cell_length_b 3.38957778 _cell_length_c 6.57795261 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBiRh2 _chemical_formula_sum 'Na1 Bi1 Rh2' _cell_volume 75.57565998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 3.28897630 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.69478889 1.69478889 1.78357567 1 Rh Rh3 1 1.69478889 1.69478889 4.79437694 1 [/CIF]
BiNaRh2
P4/mmm
123
tetragonal
4/mmm
9,618.873781
false
[CIF] data_GaSi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69265150 _cell_length_b 7.69265150 _cell_length_c 7.69265150 _cell_angle_alpha 23.01684973 _cell_angle_beta 23.01684973 _cell_angle_gamma 23.01684973 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSi2Ir _chemical_formula_sum 'Ga1 Si2 Ir1' _cell_volume 61.08225989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 -0.00000000 -0.00000000 11.22859651 1 Si Si2 1 0.00000000 0.00000000 16.95024218 1 Si Si3 1 0.00000000 -0.00000000 5.50695085 1 [/CIF]
GaIrSi2
R-3m
166
trigonal
-3m
8,647.940382
false
[CIF] data_SrSiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89161942 _cell_length_b 4.89161942 _cell_length_c 5.86235625 _cell_angle_alpha 107.32122921 _cell_angle_beta 107.32122921 _cell_angle_gamma 35.54021606 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSiOs2 _chemical_formula_sum 'Sr1 Si1 Os2' _cell_volume 77.45023707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.33702005 -0.00000000 0.84065929 1 Os Os1 1 1.14661003 0.00000000 4.72781671 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 3.74181504 -0.00000000 2.78423800 1 [/CIF]
Os2SiSr
C2/m
12
monoclinic
2/m
10,637.826653
false
[CIF] data_Cd4SiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63217714 _cell_length_b 5.63217714 _cell_length_c 5.63217714 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd4SiMo _chemical_formula_sum 'Cd4 Si1 Mo1' _cell_volume 126.33215929 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.97599098 4.97599098 2.98911032 1 Cd Cd1 1 4.97599098 2.98911032 4.97599098 1 Cd Cd2 1 2.98911032 4.97599098 4.97599098 1 Cd Cd3 1 2.98911032 2.98911032 2.98911032 1 Mo Mo4 1 5.97382598 5.97382598 5.97382598 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd4MoSi
F-43m
216
cubic
-43m
7,540.707229
false
[CIF] data_Mg2TeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00164939 _cell_length_b 7.00164939 _cell_length_c 7.00164939 _cell_angle_alpha 33.80943200 _cell_angle_beta 33.80943200 _cell_angle_gamma 33.80943200 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TeSe _chemical_formula_sum 'Mg2 Te1 Se1' _cell_volume 94.69989942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.72300733 1 Mg Mg1 1 -0.00000000 0.00000000 5.06251571 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 -0.00000000 -0.00000000 9.89276152 1 [/CIF]
Mg2SeTe
R-3m
166
trigonal
-3m
4,509.546846
false
[CIF] data_ScAlCdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66311888 _cell_length_b 4.66311888 _cell_length_c 4.66311888 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAlCdPt _chemical_formula_sum 'Sc1 Al1 Cd1 Pt1' _cell_volume 71.69922557 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 4.94598447 4.94598447 4.94598447 1 Pt Pt2 1 3.29732298 3.29732298 3.29732298 1 Cd Cd3 1 1.64866149 1.64866149 1.64866149 1 [/CIF]
AlCdPtSc
F-43m
216
cubic
-43m
8,787.576189
false
[CIF] data_Ag2RhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07226823 _cell_length_b 5.07226823 _cell_length_c 2.81017844 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.61965375 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2RhAu _chemical_formula_sum 'Ag2 Rh1 Au1' _cell_volume 67.66837814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44341158 2.08531514 1.40508922 1 Ag Ag1 1 1.44341158 -2.08531514 1.40508922 1 Au Au2 1 2.88682317 -0.00000000 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2AuRh
Cmmm
65
orthorhombic
mmm
12,652.704696
false
[CIF] data_Ga2BiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87162107 _cell_length_b 5.87162107 _cell_length_c 5.80082153 _cell_angle_alpha 98.77439526 _cell_angle_beta 98.77439526 _cell_angle_gamma 32.61700502 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2BiTe _chemical_formula_sum 'Ga2 Bi1 Te1' _cell_volume 106.42779832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.17437900 -0.00000000 2.86354176 1 Ga Ga1 1 8.24071446 -0.00000000 1.36232014 1 Ga Ga2 1 2.10804354 0.00000000 4.36476338 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiGa2Te
C2/m
12
monoclinic
2/m
7,427.198969
false
[CIF] data_Ba2ZrCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65551825 _cell_length_b 3.65551825 _cell_length_c 9.91272880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ZrCu _chemical_formula_sum 'Ba2 Zr1 Cu1' _cell_volume 132.46194798 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.38044728 1 Ba Ba1 1 1.82775913 1.82775913 3.23423832 1 Cu Cu2 1 0.00000000 0.00000000 5.55539308 1 Zr Zr3 1 1.82775913 1.82775913 6.61174322 1 [/CIF]
Ba2CuZr
P4mm
99
tetragonal
4mm
5,383.246578
false
[CIF] data_In2NiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16869864 _cell_length_b 3.16869864 _cell_length_c 6.51589806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2NiRh _chemical_formula_sum 'In2 Ni1 Rh1' _cell_volume 65.42385884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.58434932 1.58434932 4.94343958 1 In In1 1 1.58434932 1.58434932 1.57245848 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 3.25794903 1 [/CIF]
In2NiRh
P4/mmm
123
tetragonal
4/mmm
9,930.029308
false
[CIF] data_Ti2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29792019 _cell_length_b 5.29792019 _cell_length_c 5.29792019 _cell_angle_alpha 144.78607791 _cell_angle_beta 144.78607791 _cell_angle_gamma 50.65343166 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Ga _chemical_formula_sum 'Ti2 Ga1' _cell_volume 49.19242302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 -0.00000000 0.00000000 6.36872309 1 Ti Ti2 1 0.00000000 -0.00000000 3.20867885 1 [/CIF]
GaTi2
I4/mmm
139
tetragonal
4/mmm
5,585.165265
false
[CIF] data_EuNp2Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06852585 _cell_length_b 5.06852585 _cell_length_c 5.06852585 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuNp2Ta _chemical_formula_sum 'Eu1 Np2 Ta1' _cell_volume 92.07251364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 0.00000000 0.00000000 0.00000000 1 Np Np1 1 5.37598350 5.37598350 5.37598350 1 Np Np2 1 1.79199450 1.79199450 1.79199450 1 Ta Ta3 1 3.58398900 3.58398900 3.58398900 1 [/CIF]
EuNp2Ta
Fm-3m
225
cubic
m-3m
14,552.75464
false
[CIF] data_KYAgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14778408 _cell_length_b 5.14778408 _cell_length_c 5.14778408 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYAgPt _chemical_formula_sum 'K1 Y1 Ag1 Pt1' _cell_volume 96.45971383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82001652 1.82001652 1.82001652 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 5.46004955 5.46004955 5.46004955 1 Y Y3 1 3.64003303 3.64003303 3.64003303 1 [/CIF]
AgKPtY
F-43m
216
cubic
-43m
7,418.846965
false
[CIF] data_LiSnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75353681 _cell_length_b 4.75353681 _cell_length_c 6.13527797 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSnAu _chemical_formula_sum 'Li2 Sn2 Au2' _cell_volume 120.06007151 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 3.06763899 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 2.37676840 1.37222788 4.60145848 1 Sn Sn3 1 -0.00000000 2.74445575 1.53381949 1 Au Au4 1 -0.00000000 2.74445575 4.60145848 1 Au Au5 1 2.37676840 1.37222788 1.53381949 1 [/CIF]
Au2Li2Sn2
P6_3/mmc
194
hexagonal
6/mmm
8,924.18387
false
[CIF] data_NbBi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56597441 _cell_length_b 7.56597441 _cell_length_c 7.56597441 _cell_angle_alpha 151.83103046 _cell_angle_beta 149.33064537 _cell_angle_gamma 42.12489528 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbBi2P _chemical_formula_sum 'Nb1 Bi2 P1' _cell_volume 104.04342221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00087326 6.72430272 1 Bi Bi1 1 0.00000000 0.00000000 3.57064957 1 Nb Nb2 1 0.00000000 2.00087326 1.05374212 1 P P3 1 0.00000000 0.00000000 9.83276425 1 [/CIF]
Bi2NbP
Imm2
44
orthorhombic
mm2
8,647.812932
false
[CIF] data_TiTl3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22872962 _cell_length_b 5.22872962 _cell_length_c 5.22872962 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTl3Os _chemical_formula_sum 'Ti1 Tl3 Os1' _cell_volume 142.95144659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tl Tl0 1 2.61436481 0.00000000 2.61436481 1 Tl Tl1 1 2.61436481 2.61436481 0.00000000 1 Tl Tl2 1 0.00000000 2.61436481 2.61436481 1 Os Os3 1 2.61436481 2.61436481 2.61436481 1 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsTiTl3
Pm-3m
221
cubic
m-3m
9,888.173688
false
[CIF] data_CrAgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79582893 _cell_length_b 4.79582893 _cell_length_c 4.79582893 _cell_angle_alpha 130.54284010 _cell_angle_beta 130.54284010 _cell_angle_gamma 72.54042407 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAgPt2 _chemical_formula_sum 'Cr1 Ag1 Pt2' _cell_volume 62.24878445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.86656974 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 2.00619211 -0.00000000 1.93328487 1 Pt Pt3 1 0.00000000 2.00619211 1.93328487 1 [/CIF]
AgCrPt2
I4/mmm
139
tetragonal
4/mmm
14,672.577626
false
[CIF] data_FeCoMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50808008 _cell_length_b 4.50808008 _cell_length_c 4.50808008 _cell_angle_alpha 130.20820848 _cell_angle_beta 130.20820848 _cell_angle_gamma 73.07412811 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCoMo2 _chemical_formula_sum 'Fe1 Co1 Mo2' _cell_volume 52.18066127 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.62211570 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 1.89777025 -0.00000000 1.81105785 1 Mo Mo3 1 0.00000000 1.89777025 1.81105785 1 [/CIF]
CoFeMo2
I4/mmm
139
tetragonal
4/mmm
9,760.020706
false
[CIF] data_V3Bi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57619838 _cell_length_b 6.57619838 _cell_length_c 4.76762771 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.78487984 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Bi5 _chemical_formula_sum 'V3 Bi5' _cell_volume 202.54079077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 4.19249516 0.00000000 0.00000000 1 Bi Bi1 1 2.09624758 -2.53324739 0.00000000 1 Bi Bi2 1 2.09624758 2.53324740 0.00000000 1 Bi Bi3 1 6.64954476 -0.00000000 2.38381386 1 Bi Bi4 1 1.73544556 0.00000000 2.38381386 1 V V5 1 0.00000000 0.00000000 0.00000000 1 V V6 1 4.19249516 2.47609196 2.38381386 1 V V7 1 4.19249516 -2.47609196 2.38381386 1 [/CIF]
Bi5V3
Cmmm
65
orthorhombic
mmm
9,819.610345
false
[CIF] data_Li2NbSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51457014 _cell_length_b 4.51457014 _cell_length_c 4.51457014 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2NbSn _chemical_formula_sum 'Li2 Nb1 Sn1' _cell_volume 65.06301978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 4.78842474 4.78842474 4.78842474 1 Li Li1 1 1.59614158 1.59614158 1.59614158 1 Nb Nb2 1 -0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.19228316 3.19228316 3.19228316 1 [/CIF]
Li2NbSn
Fm-3m
225
cubic
m-3m
5,755.171996
false
[CIF] data_TaGa2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95777586 _cell_length_b 2.95777586 _cell_length_c 8.40785238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.03471391 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGa2P _chemical_formula_sum 'Ta1 Ga2 P1' _cell_volume 70.32850426 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.11126683 1 Ga Ga1 1 1.75863213 0.00000000 6.30601465 1 P P2 1 0.00000000 0.00000000 3.97128890 1 Ta Ta3 1 1.75863213 0.00000000 2.22320819 1 [/CIF]
Ga2PTa
Cmm2
35
orthorhombic
mm2
8,296.205109
false
[CIF] data_Zr2BiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89024987 _cell_length_b 4.89024987 _cell_length_c 3.53837227 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2BiP _chemical_formula_sum 'Zr2 Bi1 P1' _cell_volume 84.61855860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44512493 2.44512493 0.00000000 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 0.00000000 2.44512493 1.76918614 1 Zr Zr3 1 2.44512493 0.00000000 1.76918614 1 [/CIF]
BiPZr2
P4/mmm
123
tetragonal
4/mmm
8,289.142517
false
[CIF] data_BiP2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85885351 _cell_length_b 4.85885351 _cell_length_c 4.85885351 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiP2Cl _chemical_formula_sum 'Bi1 P2 Cl1' _cell_volume 81.11224457 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.15359240 5.15359240 5.15359240 1 Cl Cl1 1 3.43572827 3.43572827 3.43572827 1 P P2 1 1.71786413 1.71786413 1.71786413 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiClP2
F-43m
216
cubic
-43m
6,272.329548
false
[CIF] data_Hf2ReNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59233187 _cell_length_b 4.59233187 _cell_length_c 3.19056366 _cell_angle_alpha 91.09675330 _cell_angle_beta 91.09675330 _cell_angle_gamma 95.44361415 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ReNi _chemical_formula_sum 'Hf2 Re1 Ni1' _cell_volume 66.95684857 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49931237 1.69890377 1.59463598 1 Hf Hf1 1 1.49931237 -1.69890377 1.59463598 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 3.08940382 -0.00000000 0.00000000 1 [/CIF]
Hf2NiRe
C2/m
12
monoclinic
2/m
14,926.716817
false
[CIF] data_LiAs2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50354576 _cell_length_b 3.50354576 _cell_length_c 8.54238211 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.54756671 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAs2Br _chemical_formula_sum 'Li1 As2 Br1' _cell_volume 96.84125505 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.94525635 0.00000000 8.33593110 1 As As1 1 0.00000000 0.00000000 6.73405532 1 Br Br2 1 1.94525635 0.00000000 3.78738146 1 Li Li3 1 0.00000000 0.00000000 2.49858731 1 [/CIF]
As2BrLi
Cmm2
35
orthorhombic
mm2
4,058.497615
false
[CIF] data_ReSiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89304570 _cell_length_b 3.89304570 _cell_length_c 4.21634315 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSiAu2 _chemical_formula_sum 'Re1 Si1 Au2' _cell_volume 63.90207385 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94652285 2.10817158 1 Au Au1 1 1.94652285 0.00000000 2.10817158 1 Re Re2 1 1.94652285 1.94652285 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2ReSi
P4/mmm
123
tetragonal
4/mmm
15,805.158932
false
[CIF] data_Y(FeSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50523341 _cell_length_b 5.50523341 _cell_length_c 5.50523341 _cell_angle_alpha 138.07335720 _cell_angle_beta 138.07335720 _cell_angle_gamma 60.79066722 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y(FeSi)2 _chemical_formula_sum 'Y1 Fe2 Si2' _cell_volume 73.68555277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96960864 2.37428297 1 Fe Fe1 1 1.96960864 0.00000000 2.37428297 1 Si Si2 1 0.00000000 -0.00000000 3.47300188 1 Si Si3 1 -0.00000000 0.00000000 6.02413000 1 Y Y4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2Si2Y
I4/mmm
139
tetragonal
4/mmm
5,786.363397
false
[CIF] data_Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27172376 _cell_length_b 3.27172376 _cell_length_c 3.27172376 _cell_angle_alpha 91.55269399 _cell_angle_beta 91.55269399 _cell_angle_gamma 91.55269399 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi _chemical_formula_sum Bi1 _cell_volume 34.98182014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 [/CIF]
Bi3
R-3m
166
trigonal
-3m
9,920.013509
false
[CIF] data_Ba2TcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72228572 _cell_length_b 6.37201529 _cell_length_c 6.37201529 _cell_angle_alpha 43.94987365 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TcAg _chemical_formula_sum 'Ba2 Tc1 Ag1' _cell_volume 133.07098019 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36114286 -0.00000000 8.25973845 1 Ba Ba1 1 0.00000000 -0.00000000 1.32177171 1 Ba Ba2 1 2.36114286 -0.00000000 4.71025350 1 Tc Tc3 1 0.00000000 0.00000000 9.48247019 1 [/CIF]
AgBa2Tc
Amm2
38
orthorhombic
mm2
6,007.589446
false
[CIF] data_ReSnBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15768027 _cell_length_b 3.15768027 _cell_length_c 9.78039112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSnBr2 _chemical_formula_sum 'Re1 Sn1 Br2' _cell_volume 97.51973888 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57884014 1.57884014 3.30246604 1 Br Br1 1 1.57884014 1.57884014 6.47792508 1 Re Re2 1 0.00000000 0.00000000 4.89019556 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2ReSn
P4/mmm
123
tetragonal
4/mmm
7,913.232279
false
[CIF] data_SiIr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25143864 _cell_length_b 5.25143864 _cell_length_c 5.25143864 _cell_angle_alpha 148.44591021 _cell_angle_beta 131.66899691 _cell_angle_gamma 58.87059098 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiIr2Rh _chemical_formula_sum 'Si1 Ir2 Rh1' _cell_volume 56.15514465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 2.14980119 4.21057354 1 Ir Ir1 1 -0.00000000 0.00000000 2.26886929 1 Rh Rh2 1 -0.00000000 2.14980119 0.37885030 1 Si Si3 1 0.00000000 0.00000000 6.86231766 1 [/CIF]
Ir2RhSi
Imm2
44
orthorhombic
mm2
15,241.405818
false
[CIF] data_Na2ScIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31775406 _cell_length_b 3.31775406 _cell_length_c 10.26626982 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ScIn _chemical_formula_sum 'Na2 Sc1 In1' _cell_volume 113.00588294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.65887703 1.65887703 7.52302807 1 Na Na1 1 0.00000000 0.00000000 9.91922052 1 Na Na2 1 1.65887703 1.65887703 2.68267845 1 Sc Sc3 1 0.00000000 0.00000000 5.54074761 1 [/CIF]
InNa2Sc
P4mm
99
tetragonal
4mm
3,023.396958
false
[CIF] data_CaInTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54965508 _cell_length_b 5.54965508 _cell_length_c 5.54965508 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaInTe2 _chemical_formula_sum 'Ca1 In1 Te2' _cell_volume 120.86010790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.92419874 3.92419874 3.92419874 1 Te Te2 1 1.96209937 1.96209937 1.96209937 1 Te Te3 1 5.88629811 5.88629811 5.88629811 1 [/CIF]
CaInTe2
Fm-3m
225
cubic
m-3m
5,634.451606
false
[CIF] data_YSi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73866507 _cell_length_b 3.73866507 _cell_length_c 4.93991517 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSi2P _chemical_formula_sum 'Y1 Si2 P1' _cell_volume 69.04823982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 0.00000000 1.86933254 2.46995758 1 Si Si2 1 1.86933254 0.00000000 2.46995758 1 Y Y3 1 1.86933254 1.86933254 0.00000000 1 [/CIF]
PSi2Y
P4/mmm
123
tetragonal
4/mmm
4,233.835934
false
[CIF] data_BaCu2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94851458 _cell_length_b 4.94851458 _cell_length_c 4.94851458 _cell_angle_alpha 120.86594282 _cell_angle_beta 120.86594282 _cell_angle_gamma 88.50657466 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCu2Si _chemical_formula_sum 'Ba1 Cu2 Si1' _cell_volume 84.53326091 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44180209 0.00000000 1.77221624 1 Cu Cu1 1 0.00000000 -0.00000000 3.54443249 1 Cu Cu2 1 0.00000000 2.44180209 1.77221625 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCu2Si
I-4m2
119
tetragonal
-42m
5,745.846595
false
[CIF] data_Hf2TlGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.80575166 _cell_length_b 9.80575166 _cell_length_c 9.80575166 _cell_angle_alpha 18.73610201 _cell_angle_beta 18.73610201 _cell_angle_gamma 18.73610201 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TlGe _chemical_formula_sum 'Hf2 Tl1 Ge1' _cell_volume 84.99685701 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 0.00000000 21.50894351 1 Hf Hf2 1 -0.00000000 0.00000000 7.38401354 1 Tl Tl3 1 -0.00000000 -0.00000000 14.44647853 1 [/CIF]
GeHf2Tl
R-3m
166
trigonal
-3m
12,386.190317
false
[CIF] data_CoTePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01356957 _cell_length_b 5.01356957 _cell_length_c 5.01356957 _cell_angle_alpha 140.99082699 _cell_angle_beta 140.99082699 _cell_angle_gamma 56.35191369 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTePt _chemical_formula_sum 'Co1 Te1 Pt1' _cell_volume 49.53487881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.14396547 1 Pt Pt1 1 0.00000000 -0.00000000 3.00097213 1 Te Te2 1 0.00000000 0.00000000 5.69400232 1 [/CIF]
CoPtTe
I4mm
107
tetragonal
4mm
12,792.819016
false
[CIF] data_PmEuTa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10917459 _cell_length_b 5.10917459 _cell_length_c 5.10917459 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmEuTa2 _chemical_formula_sum 'Pm1 Eu1 Ta2' _cell_volume 94.30554589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 3.61273200 3.61273200 3.61273200 1 Pm Pm1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.80636600 1.80636600 1.80636600 1 Ta Ta3 1 5.41909800 5.41909800 5.41909800 1 [/CIF]
EuPmTa2
Fm-3m
225
cubic
m-3m
11,601.251661
false
[CIF] data_HgTeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27954233 _cell_length_b 6.17304895 _cell_length_c 3.27286866 _cell_angle_alpha 76.56898393 _cell_angle_beta 72.97073972 _cell_angle_gamma 30.46027635 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgTeRh _chemical_formula_sum 'Hg1 Te1 Rh1' _cell_volume 61.44207624 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16628146 2.45334341 0.21479532 1 Rh Rh1 1 2.16628146 2.45334341 7.83806834 1 Te Te2 1 2.16628146 2.45334341 3.50806328 1 [/CIF]
HgRhTe
Fmm2
42
orthorhombic
mm2
11,650.825671
false
[CIF] data_Zr2InNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08497060 _cell_length_b 3.08497060 _cell_length_c 8.17288487 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2InNi _chemical_formula_sum 'Zr2 In1 Ni1' _cell_volume 77.78170191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.08644244 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.54248530 1.54248530 1.74298923 1 Zr Zr3 1 1.54248530 1.54248530 6.42989564 1 [/CIF]
InNiZr2
P4/mmm
123
tetragonal
4/mmm
7,600.091725
false
[CIF] data_KSrYBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81815231 _cell_length_b 5.81815231 _cell_length_c 5.81815231 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrYBe _chemical_formula_sum 'K1 Sr1 Y1 Be1' _cell_volume 139.26444733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 6.17108243 6.17108243 6.17108243 1 Sr Sr2 1 2.05702748 2.05702748 2.05702747 1 Y Y3 1 4.11405495 4.11405495 4.11405495 1 [/CIF]
BeKSrY
F-43m
216
cubic
-43m
2,678.482644
false
[CIF] data_TlPbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64219488 _cell_length_b 3.64219488 _cell_length_c 7.32064876 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.28085292 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlPbAu2 _chemical_formula_sum 'Tl1 Pb1 Au2' _cell_volume 97.08841258 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.54647352 0.00000000 1.85420313 1 Au Au1 1 2.54647352 0.00000000 5.46644563 1 Pb Pb2 1 0.00000000 0.00000000 3.66032438 1 Tl Tl3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2PbTl
Cmmm
65
orthorhombic
mmm
13,777.045875
false
[CIF] data_MnSn2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91260233 _cell_length_b 5.91260233 _cell_length_c 5.91260233 _cell_angle_alpha 138.73462260 _cell_angle_beta 138.73462260 _cell_angle_gamma 59.77973230 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSn2As _chemical_formula_sum 'Mn1 Sn2 As1' _cell_volume 89.00599987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08345701 2.56306848 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 2.08345701 -0.00000000 2.56306848 1 Sn Sn3 1 0.00000000 -0.00000000 5.12613695 1 [/CIF]
AsMnSn2
I-4m2
119
tetragonal
-42m
6,852.147044
false
[CIF] data_FeMoPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40628548 _cell_length_b 4.40628548 _cell_length_c 4.40628548 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeMoPt2 _chemical_formula_sum 'Fe1 Mo1 Pt2' _cell_volume 60.49268970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.11571434 3.11571434 3.11571434 1 Pt Pt2 1 4.67357151 4.67357151 4.67357151 1 Pt Pt3 1 1.55785717 1.55785717 1.55785717 1 [/CIF]
FeMoPt2
Fm-3m
225
cubic
m-3m
14,877.29086
false
[CIF] data_Nb2TlSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67618617 _cell_length_b 4.67618617 _cell_length_c 4.67618617 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2TlSi _chemical_formula_sum 'Nb2 Tl1 Si1' _cell_volume 72.30367648 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 4.95984442 4.95984442 4.95984442 1 Nb Nb1 1 1.65328147 1.65328147 1.65328147 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.30656295 3.30656295 3.30656295 1 [/CIF]
Nb2SiTl
Fm-3m
225
cubic
m-3m
9,606.328544
false
[CIF] data_LiZrTlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72766616 _cell_length_b 4.72766616 _cell_length_c 4.72766616 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrTlCu _chemical_formula_sum 'Li1 Zr1 Tl1 Cu1' _cell_volume 74.71802894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67148240 1.67148240 1.67148240 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.01444720 5.01444720 5.01444720 1 Zr Zr3 1 3.34296480 3.34296480 3.34296480 1 [/CIF]
CuLiTlZr
F-43m
216
cubic
-43m
8,136.107119
false
[CIF] data_NiHg3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72703482 _cell_length_b 5.72703482 _cell_length_c 5.72703482 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiHg3Cl _chemical_formula_sum 'Ni1 Hg3 Cl1' _cell_volume 187.84060174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.86351741 2.86351741 2.86351741 1 Hg Hg1 1 0.00000000 2.86351741 0.00000000 1 Hg Hg2 1 0.00000000 0.00000000 2.86351741 1 Hg Hg3 1 2.86351741 0.00000000 0.00000000 1 Cl Cl4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClHg3Ni
Pm-3m
221
cubic
m-3m
6,152.005257
false
[CIF] data_Re3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06354034 _cell_length_b 13.68593638 _cell_length_c 4.44608476 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re3C _chemical_formula_sum 'Re18 C6' _cell_volume 368.95935454 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.03177017 6.84296819 0.03215551 1 C C1 1 3.03177017 3.44867668 2.01362476 1 C C2 1 3.03177017 10.23725970 2.01362476 1 C C3 1 0.00000000 0.00000000 4.41392925 1 C C4 1 0.00000000 10.29164487 2.43246000 1 C C5 1 0.00000000 3.39429151 2.43246000 1 Re Re6 1 1.55367125 2.15195269 1.64320099 1 Re Re7 1 1.55367125 11.53398369 1.64320099 1 Re Re8 1 1.32946718 6.84296819 1.33337295 1 Re Re9 1 1.70230299 0.00000000 3.11271181 1 Re Re10 1 1.47809892 8.99492088 2.80288377 1 Re Re11 1 1.47809892 4.69101550 2.80288377 1 Re Re12 1 3.03177017 0.00000000 0.82010021 1 Re Re13 1 3.03177017 8.75856544 0.48032837 1 Re Re14 1 3.03177017 4.92737094 0.48032837 1 Re Re15 1 4.50986909 2.15195269 1.64320099 1 Re Re16 1 4.50986909 11.53398369 1.64320099 1 Re Re17 1 4.73407316 6.84296819 1.33337295 1 Re Re18 1 4.36123735 0.00000000 3.11271181 1 Re Re19 1 4.58544142 8.99492088 2.80288377 1 Re Re20 1 4.58544142 4.69101550 2.80288377 1 Re Re21 1 0.00000000 6.84296819 3.62598455 1 Re Re22 1 0.00000000 1.91559725 3.96575639 1 Re Re23 1 0.00000000 11.77033913 3.96575639 1 [/CIF]
C6Re18
Pmmn
59
orthorhombic
mmm
15,409.115701
false
[CIF] data_ZrTiHgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97234817 _cell_length_b 4.97234817 _cell_length_c 4.97234817 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiHgPb _chemical_formula_sum 'Zr1 Ti1 Hg1 Pb1' _cell_volume 86.92998306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75799056 1.75799056 1.75799056 1 Pb Pb1 1 5.27397167 5.27397167 5.27397167 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.51598111 3.51598111 3.51598111 1 [/CIF]
HgPbTiZr
F-43m
216
cubic
-43m
10,446.536779
false