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_BeTlAgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56651620 _cell_length_b 4.56651620 _cell_length_c 4.56651620 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTlAgPd _chemical_formula_sum 'Be1 Tl1 Ag1 Pd1' _cell_volume 67.33486746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22901457 3.22901457 3.22901457 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 4.84352185 4.84352185 4.84352185 1 Tl Tl3 1 1.61450728 1.61450728 1.61450729 1 [/CIF]
AgBePdTl
F-43m
216
cubic
-43m
10,547.068538
false
[CIF] data_YAs2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13753653 _cell_length_b 6.13753653 _cell_length_c 6.13753653 _cell_angle_alpha 38.77361266 _cell_angle_beta 38.77361266 _cell_angle_gamma 38.77361266 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAs2Pd _chemical_formula_sum 'Y1 As2 Pd1' _cell_volume 81.50763972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.98736866 1 As As1 1 -0.00000000 0.00000000 4.01898950 1 Pd Pd2 1 0.00000000 0.00000000 8.50317908 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2PdY
R-3m
166
trigonal
-3m
7,032.06097
false
[CIF] data_LaZrInHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32634058 _cell_length_b 5.32634058 _cell_length_c 5.32634058 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrInHg _chemical_formula_sum 'La1 Zr1 In1 Hg1' _cell_volume 106.84932916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.64943731 5.64943731 5.64943731 1 In In1 1 3.76629154 3.76629154 3.76629154 1 La La2 1 1.88314577 1.88314577 1.88314577 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgInLaZr
F-43m
216
cubic
-43m
8,478.16536
false
[CIF] data_HoAlAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81841794 _cell_length_b 4.81841794 _cell_length_c 4.81841794 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoAlAu2 _chemical_formula_sum 'Ho1 Al1 Au2' _cell_volume 79.10399251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 3.40713600 3.40713600 3.40713600 1 Al Al1 1 0.00000000 -0.00000000 0.00000000 1 Au Au2 1 5.11070400 5.11070400 5.11070400 1 Au Au3 1 1.70356800 1.70356800 1.70356800 1 [/CIF]
AlAu2Ho
Fm-3m
225
cubic
m-3m
12,297.969711
false
[CIF] data_LaTaBeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63548595 _cell_length_b 4.63548595 _cell_length_c 4.63548595 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaBeRu _chemical_formula_sum 'La1 Ta1 Be1 Ru1' _cell_volume 70.43212793 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 4.91667533 4.91667533 4.91667533 1 Ru Ru2 1 1.63889178 1.63889178 1.63889177 1 Ta Ta3 1 3.27778355 3.27778355 3.27778355 1 [/CIF]
BeLaRuTa
F-43m
216
cubic
-43m
10,136.350669
false
[CIF] data_Hf2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10435446 _cell_length_b 6.10435446 _cell_length_c 7.53498495 _cell_angle_alpha 105.48308259 _cell_angle_beta 105.48308259 _cell_angle_gamma 29.45768049 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Mg _chemical_formula_sum 'Hf4 Mg2' _cell_volume 132.71644664 _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 0.00120664 -0.00000000 0.02362764 1 Hf Hf1 1 2.47379779 0.00000000 4.87212273 1 Hf Hf2 1 7.26798286 -0.00000000 2.37939560 1 Hf Hf3 1 6.51679270 -0.00000000 6.79141061 1 Mg Mg4 1 -0.62178480 0.00000000 4.40084014 1 Mg Mg5 1 4.05211449 -0.00000000 2.05232951 1 [/CIF]
Hf4Mg2
Cm
8
monoclinic
m
9,541.223474
false
[CIF] data_MgMnCuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23454583 _cell_length_b 4.23454583 _cell_length_c 4.23454583 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMnCuRu _chemical_formula_sum 'Mg1 Mn1 Cu1 Ru1' _cell_volume 53.69149715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.99427607 2.99427607 2.99427607 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.49141411 4.49141411 4.49141411 1 Ru Ru3 1 1.49713803 1.49713803 1.49713803 1 [/CIF]
CuMgMnRu
F-43m
216
cubic
-43m
7,541.929216
false
[CIF] data_LiNb2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41492247 _cell_length_b 4.41492247 _cell_length_c 4.41492247 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNb2Cu _chemical_formula_sum 'Li1 Nb2 Cu1' _cell_volume 60.84911240 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.12182162 3.12182162 3.12182162 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 4.68273243 4.68273243 4.68273243 1 Nb Nb3 1 1.56091081 1.56091081 1.56091081 1 [/CIF]
CuLiNb2
Fm-3m
225
cubic
m-3m
6,994.280565
false
[CIF] data_MnInTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85631615 _cell_length_b 2.85631615 _cell_length_c 7.45422163 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnInTc2 _chemical_formula_sum 'Mn1 In1 Tc2' _cell_volume 60.81557986 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42815808 1.42815808 3.82145256 1 Mn Mn1 1 0.00000000 0.00000000 5.79886166 1 Tc Tc2 1 1.42815808 1.42815808 7.34150985 1 Tc Tc3 1 0.00000000 0.00000000 1.67373000 1 [/CIF]
InMnTc2
P4mm
99
tetragonal
4mm
10,036.273007
false
[CIF] data_AlIn2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21464226 _cell_length_b 3.21464226 _cell_length_c 8.92146499 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlIn2As _chemical_formula_sum 'Al1 In2 As1' _cell_volume 92.19374885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 As As1 1 0.00000000 0.00000000 4.46073250 1 In In2 1 1.60732113 1.60732113 6.69767243 1 In In3 1 1.60732113 1.60732113 2.22379256 1 [/CIF]
AlAsIn2
P4/mmm
123
tetragonal
4/mmm
5,971.486122
false
[CIF] data_MnIrPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68863915 _cell_length_b 2.68863915 _cell_length_c 7.75431910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnIrPd2 _chemical_formula_sum 'Mn1 Ir1 Pd2' _cell_volume 56.05427054 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 3.87715955 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.34431958 1.34431958 1.81488737 1 Pd Pd3 1 1.34431958 1.34431958 5.93943173 1 [/CIF]
IrMnPd2
P4/mmm
123
tetragonal
4/mmm
13,626.789455
false
[CIF] data_MnCrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96067866 _cell_length_b 3.96067866 _cell_length_c 3.96067866 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCrPt _chemical_formula_sum 'Mn1 Cr1 Pt1' _cell_volume 43.93330021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 4.20093411 4.20093411 4.20093411 1 Pt Pt2 1 2.80062274 2.80062274 2.80062274 1 [/CIF]
CrMnPt
F-43m
216
cubic
-43m
11,415.325647
false
[CIF] data_ZnCuMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31077891 _cell_length_b 4.31077891 _cell_length_c 4.31077891 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCuMo2 _chemical_formula_sum 'Zn1 Cu1 Mo2' _cell_volume 56.64378305 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.57227150 4.57227150 4.57227150 1 Mo Mo2 1 1.52409050 1.52409050 1.52409050 1 Zn Zn3 1 3.04818100 3.04818100 3.04818100 1 [/CIF]
CuMo2Zn
Fm-3m
225
cubic
m-3m
9,405.750969
false
[CIF] data_K2RhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39611429 _cell_length_b 5.39611429 _cell_length_c 5.39611429 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2RhAu _chemical_formula_sum 'K2 Rh1 Au1' _cell_volume 111.10367433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.81562901 3.81562901 3.81562901 1 K K1 1 5.72344351 5.72344352 5.72344352 1 K K2 1 1.90781451 1.90781451 1.90781451 1 Rh Rh3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
AuK2Rh
Fm-3m
225
cubic
m-3m
5,650.558351
false
[CIF] data_LaZrMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89930882 _cell_length_b 4.89930882 _cell_length_c 3.38640388 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrMn2 _chemical_formula_sum 'La1 Zr1 Mn2' _cell_volume 81.28462075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44965441 2.44965441 0.00000000 1 Mn Mn1 1 2.44965441 0.00000000 1.69320194 1 Mn Mn2 1 0.00000000 2.44965441 1.69320194 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaMn2Zr
P4/mmm
123
tetragonal
4/mmm
6,945.87131
false
[CIF] data_Mg2VRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44668853 _cell_length_b 4.44668853 _cell_length_c 4.44668853 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2VRh _chemical_formula_sum 'Mg2 V1 Rh1' _cell_volume 62.17204195 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.71642541 4.71642541 4.71642541 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.57214180 1.57214180 1.57214180 1 V V3 1 3.14428361 3.14428361 3.14428361 1 [/CIF]
Mg2RhV
F-43m
216
cubic
-43m
5,407.378418
false
[CIF] data_SrHf2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88351791 _cell_length_b 4.88351791 _cell_length_c 4.88351791 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHf2Fe _chemical_formula_sum 'Sr1 Hf2 Fe1' _cell_volume 82.35374561 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.72658432 1.72658432 1.72658432 1 Hf Hf2 1 5.17975295 5.17975295 5.17975294 1 Sr Sr3 1 3.45316863 3.45316863 3.45316863 1 [/CIF]
FeHf2Sr
Fm-3m
225
cubic
m-3m
10,090.718607
false
[CIF] data_Ba2MnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82978271 _cell_length_b 5.82978271 _cell_length_c 4.09862128 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MnCr _chemical_formula_sum 'Ba2 Mn1 Cr1' _cell_volume 139.29724474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.91489135 0.00000000 2.04931064 1 Ba Ba1 1 0.00000000 2.91489135 2.04931064 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 2.91489135 2.91489135 0.00000000 1 [/CIF]
Ba2CrMn
P4/mmm
123
tetragonal
4/mmm
4,548.848208
false
[CIF] data_CaP2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66473087 _cell_length_b 4.66473087 _cell_length_c 4.66473087 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaP2Pd _chemical_formula_sum 'Ca1 P2 Pd1' _cell_volume 71.77360809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29846283 3.29846283 3.29846283 1 P P1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 1.64923142 1.64923142 1.64923142 1 Pd Pd3 1 4.94769425 4.94769425 4.94769425 1 [/CIF]
CaP2Pd
F-43m
216
cubic
-43m
4,822.551702
false
[CIF] data_SnAs2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09510870 _cell_length_b 3.09510870 _cell_length_c 8.54079600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.71808952 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnAs2Pd _chemical_formula_sum 'Sn1 As2 Pd1' _cell_volume 81.78146332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15551398 0.00000000 6.87510001 1 As As1 1 2.15551398 0.00000000 1.66569599 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 0.00000000 4.27039800 1 [/CIF]
As2PdSn
Cmmm
65
orthorhombic
mmm
7,613.677015
false
[CIF] data_AlCr2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69541009 _cell_length_b 2.69541009 _cell_length_c 8.16194592 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCr2Hg _chemical_formula_sum 'Al1 Cr2 Hg1' _cell_volume 59.29845968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.34770505 1.34770505 1.87472854 1 Cr Cr2 1 1.34770505 1.34770505 6.28721738 1 Hg Hg3 1 0.00000000 0.00000000 4.08097296 1 [/CIF]
AlCr2Hg
P4/mmm
123
tetragonal
4/mmm
9,284.803416
false
[CIF] data_TlSnPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21695933 _cell_length_b 4.61125950 _cell_length_c 5.32109293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSnPt2 _chemical_formula_sum 'Tl1 Sn1 Pt2' _cell_volume 78.93433910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.60847966 2.30562975 0.00000000 1 Pt Pt1 1 1.60847966 0.00000000 2.66054646 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 2.30562975 2.66054646 1 [/CIF]
Pt2SnTl
Pmmm
47
orthorhombic
mmm
15,004.854247
false
[CIF] data_Pd2PtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80253202 _cell_length_b 2.80253202 _cell_length_c 7.91915579 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pd2PtW _chemical_formula_sum 'Pd2 Pt1 W1' _cell_volume 62.19852056 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.40126601 1.40126601 7.84303069 1 Pd Pd1 1 0.00000000 0.00000000 1.97351024 1 Pt Pt2 1 1.40126601 1.40126601 4.04495099 1 W W3 1 0.00000000 0.00000000 5.93639756 1 [/CIF]
Pd2PtW
P4mm
99
tetragonal
4mm
15,798.575647
false
[CIF] data_TaGePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52458129 _cell_length_b 4.52458129 _cell_length_c 4.56955889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGePb2 _chemical_formula_sum 'Ta1 Ge1 Pb2' _cell_volume 93.54725950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 0.00000000 2.26229065 2.28477944 1 Pb Pb2 1 2.26229065 0.00000000 2.28477944 1 Ta Ta3 1 2.26229065 2.26229065 0.00000000 1 [/CIF]
GePb2Ta
P4/mmm
123
tetragonal
4/mmm
11,857.321921
false
[CIF] data_AlFeCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66864860 _cell_length_b 3.45896176 _cell_length_c 5.36960332 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFeCu2 _chemical_formula_sum 'Al1 Fe1 Cu2' _cell_volume 49.56548442 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.99711800 1 Cu Cu1 1 1.33432430 1.72948088 0.03993777 1 Cu Cu2 1 0.00000000 0.00000000 1.33896751 1 Fe Fe3 1 1.33432430 1.72948088 2.67838171 1 [/CIF]
AlCu2Fe
Pmm2
25
orthorhombic
mm2
7,032.674819
false
[CIF] data_K2NbTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69014630 _cell_length_b 5.69014630 _cell_length_c 5.69014630 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NbTl _chemical_formula_sum 'K2 Nb1 Tl1' _cell_volume 130.27326551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 6.03531155 6.03531155 6.03531155 1 Nb Nb2 1 4.02354103 4.02354103 4.02354103 1 Tl Tl3 1 2.01177052 2.01177052 2.01177052 1 [/CIF]
K2NbTl
F-43m
216
cubic
-43m
4,786.387749
false
[CIF] data_TiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03511028 _cell_length_b 3.03511028 _cell_length_c 3.22320800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiB2 _chemical_formula_sum 'Ti1 B2' _cell_volume 25.71389784 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.00000000 0.00000000 0.00000000 1 B B1 1 1.51755514 0.87616087 1.61160400 1 B B2 1 -0.00000000 1.75232173 1.61160400 1 [/CIF]
B2Ti
P6/mmm
191
hexagonal
6/mmm
4,487.425163
false
[CIF] data_Na2LiCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21151447 _cell_length_b 5.40074481 _cell_length_c 6.02193717 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.42741437 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2LiCd _chemical_formula_sum 'Na2 Li1 Cd1' _cell_volume 103.03722780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.11256663 0.00000000 2.97030215 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 2.18806348 2.70037240 1.50447913 1 Na Na3 1 0.03706979 2.70037240 4.43612517 1 [/CIF]
CdLiNa2
P2/m
10
monoclinic
2/m
2,664.4688
false
[CIF] data_Sr2NiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71036168 _cell_length_b 5.14165958 _cell_length_c 5.26831422 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2NiPd _chemical_formula_sum 'Sr2 Ni1 Pd1' _cell_volume 100.50582556 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 0.00000000 2.57082979 2.63415711 1 Sr Sr2 1 1.85518084 2.57082979 0.00000000 1 Sr Sr3 1 1.85518084 0.00000000 2.63415711 1 [/CIF]
NiPdSr2
Pmmm
47
orthorhombic
mmm
5,623.257299
false
[CIF] data_InFeSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18427492 _cell_length_b 3.18427492 _cell_length_c 8.52865012 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InFeSn2 _chemical_formula_sum 'In1 Fe1 Sn2' _cell_volume 86.47715846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 4.25567087 1 In In1 1 1.59213746 1.59213746 6.01396791 1 Sn Sn2 1 0.00000000 0.00000000 8.48519503 1 Sn Sn3 1 1.59213746 1.59213746 2.56679141 1 [/CIF]
FeInSn2
P4mm
99
tetragonal
4mm
7,836.031803
false
[CIF] data_NbSiBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.32509433 _cell_length_b 10.32509433 _cell_length_c 10.32509433 _cell_angle_alpha 18.53650879 _cell_angle_beta 18.53650879 _cell_angle_gamma 18.53650879 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSiBi2 _chemical_formula_sum 'Nb1 Si1 Bi2' _cell_volume 97.18267071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.41617664 1 Bi Bi1 1 0.00000000 0.00000000 23.01874028 1 Nb Nb2 1 0.00000000 0.00000000 15.21745846 1 Si Si3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Bi2NbSi
R-3m
166
trigonal
-3m
9,208.966719
false
[CIF] data_LiAlZnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61480268 _cell_length_b 4.61480268 _cell_length_c 4.61480268 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlZnHg _chemical_formula_sum 'Li1 Al1 Zn1 Hg1' _cell_volume 69.49353615 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63157914 1.63157914 1.63157914 1 Hg Hg1 1 4.89473741 4.89473741 4.89473741 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.26315827 3.26315827 3.26315827 1 [/CIF]
AlHgLiZn
F-43m
216
cubic
-43m
7,165.893459
false
[CIF] data_TlSb2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28508354 _cell_length_b 3.28508354 _cell_length_c 9.44915351 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.54446214 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSb2Pt _chemical_formula_sum 'Tl1 Sb2 Pt1' _cell_volume 101.93608198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 2.29138676 -0.00000000 1.75253649 1 Sb Sb2 1 2.29138676 -0.00000000 7.69661702 1 Tl Tl3 1 0.00000000 0.00000000 4.72457676 1 [/CIF]
PtSb2Tl
Cmmm
65
orthorhombic
mmm
10,474.264953
false
[CIF] data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11611714 _cell_length_b 7.11611714 _cell_length_c 2.51320414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 145.72769405 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 71.66713628 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42489910 1.45803872 0.00000000 1 C C1 1 0.76853424 -1.45803872 0.00000000 1 C C2 1 3.42489910 -1.45803872 0.00000000 1 C C3 1 0.76853424 1.45803872 0.00000000 1 C C4 1 1.32815919 0.77110860 1.25660207 1 C C5 1 2.86527415 -0.77110860 1.25660207 1 C C6 1 2.86527415 0.77110860 1.25660207 1 C C7 1 1.32815919 -0.77110860 1.25660207 1 C C8 1 1.40172980 2.81020104 0.00000000 1 C C9 1 2.79170354 -2.81020104 0.00000000 1 C C10 1 1.40172980 -2.81020104 0.00000000 1 C C11 1 2.79170354 2.81020104 0.00000000 1 [/CIF]
C24
Cmmm
65
orthorhombic
mmm
3,339.478194
false
[CIF] data_SrMnCdPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03811814 _cell_length_b 5.03811814 _cell_length_c 5.03811814 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnCdPd _chemical_formula_sum 'Sr1 Mn1 Cd1 Pd1' _cell_volume 90.42531768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.78124375 1.78124375 1.78124375 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 5.34373125 5.34373125 5.34373125 1 Sr Sr3 1 3.56248750 3.56248750 3.56248750 1 [/CIF]
CdMnPdSr
F-43m
216
cubic
-43m
6,636.422662
false
[CIF] data_NaMoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18039150 _cell_length_b 3.18039150 _cell_length_c 7.35716890 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMoAs2 _chemical_formula_sum 'Na1 Mo1 As2' _cell_volume 74.41695482 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59019575 1.59019575 2.19952482 1 As As1 1 1.59019575 1.59019575 5.15764408 1 Mo Mo2 1 0.00000000 0.00000000 3.67858445 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2MoNa
P4/mmm
123
tetragonal
4/mmm
5,997.843198
false
[CIF] data_Rh3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78206018 _cell_length_b 2.78206018 _cell_length_c 9.07121221 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.78011963 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rh3Se _chemical_formula_sum 'Rh3 Se1' _cell_volume 60.93783059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 1.39565060 0.00000000 6.81868707 1 Rh Rh1 1 0.00000000 0.00000000 4.53560610 1 Rh Rh2 1 1.39565060 0.00000000 2.25252514 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Rh3Se
Cmmm
65
orthorhombic
mmm
10,564.077638
false
[CIF] data_Ga2SiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53587429 _cell_length_b 5.53587429 _cell_length_c 5.53587429 _cell_angle_alpha 138.52449383 _cell_angle_beta 126.11994930 _cell_angle_gamma 70.20130017 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2SiPb _chemical_formula_sum 'Ga2 Si1 Pb1' _cell_volume 89.06692213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.50806984 4.27900029 1 Ga Ga1 1 0.00000000 -0.00000000 2.07966462 1 Pb Pb2 1 0.00000000 2.50806984 0.11921289 1 Si Si3 1 -0.00000000 0.00000000 7.10953582 1 [/CIF]
Ga2PbSi
Imm2
44
orthorhombic
mm2
6,986.390461
false
[CIF] data_LiCaSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33381394 _cell_length_b 5.33381394 _cell_length_c 5.33381394 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaSc _chemical_formula_sum 'Li1 Ca1 Sc1' _cell_volume 107.29972023 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 5.65736402 5.65736402 5.65736402 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 3.77157601 3.77157601 3.77157601 1 [/CIF]
CaLiSc
F-43m
216
cubic
-43m
1,423.37682
false
[CIF] data_NiSbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60578525 _cell_length_b 4.60578525 _cell_length_c 4.60578525 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSbSe _chemical_formula_sum 'Ni1 Sb1 Se1' _cell_volume 69.08695551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 4.88517297 4.88517297 4.88517297 1 Se Se2 1 3.25678198 3.25678198 3.25678198 1 [/CIF]
NiSbSe
F-43m
216
cubic
-43m
6,235.129076
false
[CIF] data_Li4NiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69588520 _cell_length_b 4.69588520 _cell_length_c 4.69588520 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4NiRu _chemical_formula_sum 'Li4 Ni1 Ru1' _cell_volume 73.22129681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.49340353 2.49340353 4.14758101 1 Li Li1 1 2.49340353 4.14758101 2.49340353 1 Li Li2 1 4.14758101 2.49340353 2.49340353 1 Li Li3 1 4.14758101 4.14758101 4.14758101 1 Ni Ni4 1 0.00000000 0.00000000 0.00000000 1 Ru Ru5 1 1.66024614 1.66024614 1.66024613 1 [/CIF]
Li4NiRu
F-43m
216
cubic
-43m
4,252.81424
false
[CIF] data_Pt2RhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77611527 _cell_length_b 2.77611527 _cell_length_c 9.68701929 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.34830997 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pt2RhAu _chemical_formula_sum 'Pt2 Rh1 Au1' _cell_volume 64.42594119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 4.84350965 1 Pt Pt1 1 1.38074352 0.00000000 7.35779362 1 Pt Pt2 1 1.38074352 0.00000000 2.32922567 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuPt2Rh
Cmmm
65
orthorhombic
mmm
17,785.358986
false
[CIF] data_KBBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89097318 _cell_length_b 5.89097318 _cell_length_c 5.89097318 _cell_angle_alpha 138.67947027 _cell_angle_beta 108.57827083 _cell_angle_gamma 86.00741062 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBBr2 _chemical_formula_sum 'K1 B1 Br2' _cell_volume 123.15984096 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Br Br1 1 2.07848862 0.00000000 1.76035304 1 Br Br2 1 -0.00000000 3.43853271 2.54777217 1 K K3 1 0.00000000 0.00000000 4.30812521 1 [/CIF]
BBr2K
Immm
71
orthorhombic
mmm
2,827.575668
false
[CIF] data_GaTcMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42373551 _cell_length_b 4.42373551 _cell_length_c 4.42373551 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaTcMoPd _chemical_formula_sum 'Ga1 Tc1 Mo1 Pd1' _cell_volume 61.21424010 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.69208007 4.69208007 4.69208007 1 Pd Pd2 1 1.56402669 1.56402669 1.56402669 1 Tc Tc3 1 3.12805338 3.12805338 3.12805338 1 [/CIF]
GaMoPdTc
F-43m
216
cubic
-43m
10,064.247627
false
[CIF] data_Ga2AgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06676303 _cell_length_b 3.06676303 _cell_length_c 6.69724345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2AgRh _chemical_formula_sum 'Ga2 Ag1 Rh1' _cell_volume 62.98781228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.34862173 1 Ga Ga1 1 1.53338152 1.53338152 5.19938640 1 Ga Ga2 1 1.53338152 1.53338152 1.49785705 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgGa2Rh
P4/mmm
123
tetragonal
4/mmm
9,232.793975
false
[CIF] data_BaBeBiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04265730 _cell_length_b 5.04265730 _cell_length_c 5.04265730 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeBiOs _chemical_formula_sum 'Ba1 Be1 Bi1 Os1' _cell_volume 90.66994759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78284859 1.78284859 1.78284859 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Bi Bi2 1 3.56569717 3.56569717 3.56569717 1 Os Os3 1 5.34854576 5.34854576 5.34854576 1 [/CIF]
BaBeBiOs
F-43m
216
cubic
-43m
9,991.253086
false
[CIF] data_Ba _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.54934824 _cell_length_b 8.04825146 _cell_length_c 4.28894126 _cell_angle_alpha 81.60596826 _cell_angle_beta 68.63887155 _cell_angle_gamma 29.75516019 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba _chemical_formula_sum Ba2 _cell_volume 126.81088266 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.24477319 3.65458759 13.45193824 1 Ba Ba1 1 2.24477319 3.65458759 2.00579056 1 [/CIF]
Ba4
Fmmm
69
orthorhombic
mmm
3,596.487046
false
[CIF] data_K2GeF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75177003 _cell_length_b 5.75177003 _cell_length_c 4.77779900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2GeF6 _chemical_formula_sum 'K2 Ge1 F6' _cell_volume 136.88678818 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32078597 3.35360401 1 K K1 1 2.87588501 1.66039299 1.42419499 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 F F3 1 4.43447377 0.76054135 3.74632475 1 F F4 1 2.87588501 3.46009627 3.74632475 1 F F5 1 1.31729625 0.76054135 3.74632475 1 F F6 1 -1.55858876 4.22063761 1.03147425 1 F F7 1 -0.00000000 1.52108269 1.03147425 1 F F8 1 1.55858876 4.22063761 1.03147425 1 [/CIF]
F6GeK2
P-3m1
164
trigonal
-3m
3,212.549697
false
[CIF] data_BaZrB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38616682 _cell_length_b 3.39096241 _cell_length_c 6.46716490 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.19824235 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrB2 _chemical_formula_sum 'Ba1 Zr1 B2' _cell_volume 74.24210552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.70212812 1.69548121 0.82468497 1 B B1 1 1.54879896 1.69548121 5.64106573 1 Ba Ba2 1 -0.06761987 0.00000000 3.23287535 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2BaZr
P2/m
10
monoclinic
2/m
5,595.504559
false
[CIF] data_NbCdReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68347210 _cell_length_b 4.68347210 _cell_length_c 4.68347210 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCdReSn _chemical_formula_sum 'Nb1 Cd1 Re1 Sn1' _cell_volume 72.64217106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 3.31171488 3.31171488 3.31171488 1 Cd Cd2 1 1.65585744 1.65585744 1.65585744 1 Sn Sn3 1 4.96757233 4.96757233 4.96757233 1 [/CIF]
CdNbReSn
F-43m
216
cubic
-43m
11,663.529721
false
[CIF] data_SrCr2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80780558 _cell_length_b 4.80780558 _cell_length_c 4.80780558 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCr2Ni _chemical_formula_sum 'Sr1 Cr2 Ni1' _cell_volume 78.58247343 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69981596 1.69981596 1.69981596 1 Cr Cr1 1 5.09944789 5.09944789 5.09944789 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 3.39963193 3.39963193 3.39963193 1 [/CIF]
Cr2NiSr
Fm-3m
225
cubic
m-3m
5,289.24847
false
[CIF] data_TcHgRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84401161 _cell_length_b 2.84401161 _cell_length_c 7.84974792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcHgRh2 _chemical_formula_sum 'Tc1 Hg1 Rh2' _cell_volume 63.49191707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.92487396 1 Rh Rh1 1 1.42200580 1.42200580 6.09394975 1 Rh Rh2 1 1.42200580 1.42200580 1.75579817 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgRh2Tc
P4/mmm
123
tetragonal
4/mmm
13,215.57743
false
[CIF] data_KBeAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93164201 _cell_length_b 4.93164201 _cell_length_c 4.93164201 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBeAl _chemical_formula_sum 'K1 Be1 Al1' _cell_volume 84.81245477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74359876 1.74359875 1.74359876 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 K K2 1 3.48719751 3.48719751 3.48719751 1 [/CIF]
AlBeK
F-43m
216
cubic
-43m
1,470.223143
false
[CIF] data_ZrRe2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35033646 _cell_length_b 4.35033646 _cell_length_c 4.35033646 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrRe2B _chemical_formula_sum 'Zr1 Re2 B1' _cell_volume 58.21749880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.53807621 1.53807621 1.53807621 1 Re Re2 1 4.61422862 4.61422862 4.61422862 1 Zr Zr3 1 3.07615241 3.07615241 3.07615241 1 [/CIF]
BRe2Zr
Fm-3m
225
cubic
m-3m
13,532.719816
false
[CIF] data_TiCo2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79871113 _cell_length_b 4.65208490 _cell_length_c 4.65208490 _cell_angle_alpha 36.63990165 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCo2P _chemical_formula_sum 'Ti1 Co2 P1' _cell_volume 49.06237592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.75114035 1 Co Co1 1 1.89935556 -0.00000000 6.04285967 1 P P2 1 0.00000000 0.00000000 7.18092606 1 Ti Ti3 1 1.89935556 0.00000000 3.71920738 1 [/CIF]
Co2PTi
Amm2
38
orthorhombic
mm2
6,657.956796
false
[CIF] data_NiHg2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23467216 _cell_length_b 4.23467216 _cell_length_c 3.82397303 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiHg2Pt _chemical_formula_sum 'Ni1 Hg2 Pt1' _cell_volume 68.57319851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11733608 0.00000000 1.91198651 1 Hg Hg1 1 0.00000000 2.11733608 1.91198651 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.11733608 2.11733608 0.00000000 1 [/CIF]
Hg2NiPt
P4/mmm
123
tetragonal
4/mmm
15,860.568462
false
[CIF] data_VFeTcHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44069629 _cell_length_b 4.44069629 _cell_length_c 4.44069629 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFeTcHg _chemical_formula_sum 'V1 Fe1 Tc1 Hg1' _cell_volume 61.92103650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.71006969 4.71006969 4.71006969 1 Hg Hg1 1 1.57002323 1.57002323 1.57002323 1 Tc Tc2 1 3.14004646 3.14004646 3.14004646 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeHgTcV
F-43m
216
cubic
-43m
10,895.300427
false
[CIF] data_HfBe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94026546 _cell_length_b 2.94026546 _cell_length_c 6.20522677 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBe2Ir _chemical_formula_sum 'Hf1 Be2 Ir1' _cell_volume 53.64518431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01058847 1 Be Be1 1 1.47013273 1.47013273 1.17341887 1 Hf Hf2 1 0.00000000 0.00000000 3.11661269 1 Ir Ir3 1 1.47013273 1.47013273 5.00722019 1 [/CIF]
Be2HfIr
P4mm
99
tetragonal
4mm
12,032.834346
false
[CIF] data_CF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72869470 _cell_length_b 5.72869470 _cell_length_c 2.35935700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CF3 _chemical_formula_sum 'C2 F6' _cell_volume 67.05569187 _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 C C0 1 0.00000000 3.30746343 0.58983925 1 C C1 1 2.86434735 1.65373171 1.76951775 1 F F2 1 -0.00000000 2.01401025 1.76951775 1 F F3 1 1.12016331 3.95419002 1.76951775 1 F F4 1 -1.12016331 3.95419002 1.76951775 1 F F5 1 2.86434735 2.94718489 0.58983925 1 F F6 1 1.74418404 1.00700512 0.58983925 1 F F7 1 3.98451066 1.00700512 0.58983925 1 [/CIF]
C2F6
P6_3/mmc
194
hexagonal
6/mmm
3,417.666803
false
[CIF] data_Ba2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76101304 _cell_length_b 4.76101304 _cell_length_c 8.20087421 _cell_angle_alpha 92.03093568 _cell_angle_beta 92.03093568 _cell_angle_gamma 60.07614049 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2As _chemical_formula_sum 'Ba2 As1' _cell_volume 160.97484234 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 5.49340398 -0.00000000 1.75675008 1 Ba Ba2 1 2.41402596 -0.00000000 6.43724950 1 [/CIF]
As2Ba4
C2/m
12
monoclinic
2/m
3,606.053791
false
[CIF] data_YTcB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15844600 _cell_length_b 4.15844600 _cell_length_c 3.06822334 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.72163240 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTcB2 _chemical_formula_sum 'Y1 Tc1 B2' _cell_volume 52.44426052 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.35418405 1.57776863 1.53411167 1 B B1 1 1.35418405 -1.57776863 1.53411167 1 Tc Tc2 1 2.70836810 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2TcY
Cmmm
65
orthorhombic
mmm
6,631.296132
false
[CIF] data_BSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88241718 _cell_length_b 3.88241718 _cell_length_c 6.52752303 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 133.87967764 _symmetry_Int_Tables_number 1 _chemical_formula_structural BSe _chemical_formula_sum 'B2 Se2' _cell_volume 70.91952032 _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 B B0 1 1.52073292 1.78609452 0.53877672 1 B B1 1 1.52073292 -1.78609452 5.98874631 1 Se Se2 1 1.52073292 1.78609452 4.53165264 1 Se Se3 1 1.52073292 -1.78609452 1.99587039 1 [/CIF]
B2Se2
Cmme
67
orthorhombic
mmm
4,203.870863
false
[CIF] data_NbFeSnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83931703 _cell_length_b 4.83931703 _cell_length_c 4.83931703 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFeSnBi _chemical_formula_sum 'Nb1 Fe1 Sn1 Bi1' _cell_volume 80.13776492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.42191389 3.42191389 3.42191389 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 5.13287084 5.13287084 5.13287084 1 Sn Sn3 1 1.71095695 1.71095695 1.71095695 1 [/CIF]
BiFeNbSn
F-43m
216
cubic
-43m
9,872.376519
false
[CIF] data_Ti2NiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50003194 _cell_length_b 4.50003194 _cell_length_c 4.50003194 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2NiSb _chemical_formula_sum 'Ti2 Ni1 Sb1' _cell_volume 64.43647746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 3.18200310 3.18200310 3.18200310 1 Ti Ti2 1 1.59100155 1.59100155 1.59100155 1 Ti Ti3 1 4.77300465 4.77300465 4.77300465 1 [/CIF]
NiSbTi2
Fm-3m
225
cubic
m-3m
7,117.396628
false
[CIF] data_SrMn2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69282460 _cell_length_b 4.69282460 _cell_length_c 4.36022101 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMn2In _chemical_formula_sum 'Sr1 Mn2 In1' _cell_volume 96.02341510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 2.34641230 2.34641230 0.00000000 1 Mn Mn1 1 2.34641230 0.00000000 2.18011051 1 Mn Mn2 1 0.00000000 2.34641230 2.18011051 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InMn2Sr
P4/mmm
123
tetragonal
4/mmm
5,400.867559
false
[CIF] data_KCaW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08527414 _cell_length_b 3.08527414 _cell_length_c 11.42547740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.67005313 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaW2 _chemical_formula_sum 'K1 Ca1 W2' _cell_volume 99.60861868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68780410 0.00000000 6.30754037 1 K K1 1 0.00000000 0.00000000 2.51931480 1 W W2 1 1.68780410 0.00000000 10.79942899 1 W W3 1 0.00000000 0.00000000 8.93740934 1 [/CIF]
CaKW2
Cmm2
35
orthorhombic
mm2
7,449.37891
false
[CIF] data_TlZn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.01348183 _cell_length_b 9.01348183 _cell_length_c 9.01348183 _cell_angle_alpha 20.24743852 _cell_angle_beta 20.24743852 _cell_angle_gamma 20.24743852 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZn2Pt _chemical_formula_sum 'Tl1 Zn2 Pt1' _cell_volume 76.74393366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 -0.00000000 -0.00000000 1 Tl Tl1 1 -0.00000000 0.00000000 13.23880811 1 Zn Zn2 1 -0.00000000 0.00000000 6.96447279 1 Zn Zn3 1 -0.00000000 0.00000000 19.51314342 1 [/CIF]
PtTlZn2
R-3m
166
trigonal
-3m
11,472.739317
false
[CIF] data_Si2HgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90408339 _cell_length_b 9.90408339 _cell_length_c 9.90408339 _cell_angle_alpha 17.79237941 _cell_angle_beta 17.79237941 _cell_angle_gamma 17.79237941 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2HgAs _chemical_formula_sum 'Si2 Hg1 As1' _cell_volume 79.18931557 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 0.00000000 14.61735030 1 Si Si2 1 0.00000000 -0.00000000 7.66791963 1 Si Si3 1 0.00000000 0.00000000 21.56678097 1 [/CIF]
AsHgSi2
R-3m
166
trigonal
-3m
6,955.129119
false
[CIF] data_ScGe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80065069 _cell_length_b 3.80065069 _cell_length_c 5.82765494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGe2Se _chemical_formula_sum 'Sc1 Ge2 Se1' _cell_volume 84.18015898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.51958626 1 Ge Ge1 1 1.90032535 1.90032535 1.13856952 1 Sc Sc2 1 0.00000000 0.00000000 3.33276447 1 Se Se3 1 1.90032535 1.90032535 3.75056217 1 [/CIF]
Ge2ScSe
P4mm
99
tetragonal
4mm
5,310.162559
false
[CIF] data_YNiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06838171 _cell_length_b 5.06838171 _cell_length_c 5.06838171 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNiSb2 _chemical_formula_sum 'Y1 Ni1 Sb2' _cell_volume 92.06465890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 3.58388708 3.58388708 3.58388708 1 Sb Sb2 1 5.37583062 5.37583062 5.37583062 1 Y Y3 1 1.79194354 1.79194354 1.79194354 1 [/CIF]
NiSb2Y
F-43m
216
cubic
-43m
7,054.485425
false
[CIF] data_Y2MnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16315211 _cell_length_b 6.16315211 _cell_length_c 6.16315211 _cell_angle_alpha 143.42479778 _cell_angle_beta 133.45602458 _cell_angle_gamma 60.60201695 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MnSn _chemical_formula_sum 'Y2 Mn1 Sn1' _cell_volume 100.23329824 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.61253765 1 Sn Sn1 1 0.00000000 2.43503934 2.34308860 1 Y Y2 1 0.00000000 0.00000000 10.52841096 1 Y Y3 1 1.93391696 -0.00000000 2.80069632 1 [/CIF]
MnSnY2
Imm2
44
orthorhombic
mm2
5,822.54248
false
[CIF] data_MgAlW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49681902 _cell_length_b 4.49681902 _cell_length_c 4.49681902 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAlW2 _chemical_formula_sum 'Mg1 Al1 W2' _cell_volume 64.29855731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58986561 1.58986561 1.58986561 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.76959683 4.76959683 4.76959683 1 W W3 1 3.17973122 3.17973122 3.17973122 1 [/CIF]
AlMgW2
F-43m
216
cubic
-43m
10,819.998675
false
[CIF] data_BaTiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05400200 _cell_length_b 7.05400200 _cell_length_c 7.05400200 _cell_angle_alpha 152.79168324 _cell_angle_beta 152.79168324 _cell_angle_gamma 38.85829520 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiRu _chemical_formula_sum 'Ba1 Ti1 Ru1' _cell_volume 73.25283773 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 -0.00000000 0.00000000 13.12538758 1 Ru Ru1 1 -0.00000000 0.00000000 3.92177851 1 Ti Ti2 1 0.00000000 0.00000000 9.56204080 1 [/CIF]
BaRuTi
I4mm
107
tetragonal
4mm
6,489.628186
false
[CIF] data_K2NaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04434819 _cell_length_b 5.04434819 _cell_length_c 5.16597149 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NaAs _chemical_formula_sum 'K2 Na1 As1' _cell_volume 131.45046234 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.52217410 2.52217410 0.00000000 1 K K1 1 2.52217410 0.00000000 2.58298575 1 K K2 1 0.00000000 2.52217410 2.58298575 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsK2Na
P4/mmm
123
tetragonal
4/mmm
2,224.672
false
[CIF] data_SrTi2Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94053901 _cell_length_b 4.94053901 _cell_length_c 4.94053901 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTi2Nb _chemical_formula_sum 'Sr1 Ti2 Nb1' _cell_volume 85.27230484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.49348864 3.49348864 3.49348864 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.74674432 1.74674432 1.74674432 1 Ti Ti3 1 5.24023296 5.24023296 5.24023296 1 [/CIF]
NbSrTi2
Fm-3m
225
cubic
m-3m
5,379.720349
false
[CIF] data_Sr4TiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89696102 _cell_length_b 6.89696102 _cell_length_c 6.89696102 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4TiPd _chemical_formula_sum 'Sr4 Ti1 Pd1' _cell_volume 231.98415218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 2.43844396 2.43844396 2.43844396 1 Sr Sr1 1 3.65421485 3.65421485 6.09956097 1 Sr Sr2 1 3.65421485 6.09956097 3.65421485 1 Sr Sr3 1 6.09956097 3.65421485 3.65421485 1 Sr Sr4 1 6.09956097 6.09956097 6.09956097 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdSr4Ti
F-43m
216
cubic
-43m
3,613.114582
false
[CIF] data_TlBRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01111553 _cell_length_b 3.01111553 _cell_length_c 6.71487299 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBRu2 _chemical_formula_sum 'Tl1 B1 Ru2' _cell_volume 60.88252280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.94264534 1 Ru Ru1 1 1.50555777 1.50555777 6.18053818 1 Ru Ru2 1 0.00000000 0.00000000 1.34068845 1 Tl Tl3 1 1.50555777 1.50555777 3.32331050 1 [/CIF]
BRu2Tl
P4mm
99
tetragonal
4mm
11,382.575444
false
[CIF] data_TaBe2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07638444 _cell_length_b 4.07638444 _cell_length_c 3.22083834 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBe2Au _chemical_formula_sum 'Ta1 Be2 Au1' _cell_volume 53.52038115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03819222 2.03819222 0.00000000 1 Be Be1 1 2.03819222 0.00000000 1.61041917 1 Be Be2 1 0.00000000 2.03819222 1.61041917 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBe2Ta
P4/mmm
123
tetragonal
4/mmm
12,284.513915
false
[CIF] data_VPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80717275 _cell_length_b 4.30881898 _cell_length_c 5.49669435 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPt _chemical_formula_sum 'V4 Pt4' _cell_volume 113.85433381 _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 Pt Pt0 1 0.43926195 1.07720474 0.68880731 1 Pt Pt1 1 1.96432443 3.23161424 3.43715449 1 Pt Pt2 1 2.84284832 1.07720474 2.05953986 1 Pt Pt3 1 4.36791080 3.23161424 4.80788704 1 V V4 1 0.42228859 1.07720474 3.42267735 1 V V5 1 1.98129779 3.23161424 0.67433018 1 V V6 1 2.82587496 1.07720474 4.82236417 1 V V7 1 4.38488416 3.23161424 2.07401700 1 [/CIF]
Pt4V4
Pnma
62
orthorhombic
mmm
14,352.899551
false
[CIF] data_AlFe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76083308 _cell_length_b 4.76083308 _cell_length_c 4.76083308 _cell_angle_alpha 136.42116387 _cell_angle_beta 136.42116387 _cell_angle_gamma 63.32987706 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFe2W _chemical_formula_sum 'Al1 Fe2 W1' _cell_volume 50.61898370 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 -0.00000000 1 Fe Fe1 1 1.76720385 0.00000000 2.02604989 1 Fe Fe2 1 0.00000000 0.00000000 4.05209979 1 W W3 1 0.00000000 1.76720385 2.02604990 1 [/CIF]
AlFe2W
I-4m2
119
tetragonal
-42m
10,579.884661
false
[CIF] data_TlCr2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71429850 _cell_length_b 4.71429850 _cell_length_c 4.71429850 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCr2Au _chemical_formula_sum 'Tl1 Cr2 Au1' _cell_volume 74.08601516 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33351244 3.33351244 3.33351244 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Cr Cr2 1 1.66675622 1.66675622 1.66675622 1 Tl Tl3 1 5.00026866 5.00026866 5.00026866 1 [/CIF]
AuCr2Tl
F-43m
216
cubic
-43m
11,326.567447
false
[CIF] data_Y2MnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67118780 _cell_length_b 4.67118780 _cell_length_c 4.67118780 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MnB _chemical_formula_sum 'Y2 Mn1 B1' _cell_volume 72.07206851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 3.30302857 3.30302857 3.30302857 1 Y Y2 1 4.95454286 4.95454286 4.95454286 1 Y Y3 1 1.65151429 1.65151429 1.65151429 1 [/CIF]
BMnY2
Fm-3m
225
cubic
m-3m
5,611.637094
false
[CIF] data_HgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.83283754 _cell_length_b 7.83283754 _cell_length_c 3.56707813 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 159.23179023 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgIr _chemical_formula_sum 'Hg2 Ir2' _cell_volume 77.60240297 _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 1.41183978 -1.24403264 2.67530860 1 Hg Hg1 1 1.41183978 1.24403264 0.89176953 1 Ir Ir2 1 1.41183978 -4.46426145 2.67530860 1 Ir Ir3 1 1.41183978 4.46426145 0.89176953 1 [/CIF]
Hg2Ir2
Cmcm
63
orthorhombic
mmm
16,810.597201
false
[CIF] data_Ca2PdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33923935 _cell_length_b 5.33923935 _cell_length_c 5.33923935 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2PdPb _chemical_formula_sum 'Ca2 Pd1 Pb1' _cell_volume 107.62748007 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88770617 1.88770617 1.88770617 1 Ca Ca1 1 5.66311852 5.66311852 5.66311852 1 Pb Pb2 1 3.77541235 3.77541235 3.77541235 1 Pd Pd3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Ca2PbPd
Fm-3m
225
cubic
m-3m
6,075.404079
false
[CIF] data_CuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59398421 _cell_length_b 4.59398421 _cell_length_c 4.59398421 _cell_angle_alpha 34.79409944 _cell_angle_beta 34.79409944 _cell_angle_gamma 34.79409944 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPt _chemical_formula_sum 'Cu1 Pt1' _cell_volume 28.17845779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 -0.00000000 -0.00000000 6.46726597 1 [/CIF]
CuPt
R-3m
166
trigonal
-3m
15,240.905729
false
[CIF] data_Zr2HgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07816591 _cell_length_b 5.07816591 _cell_length_c 3.12764109 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.56387976 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2HgIr _chemical_formula_sum 'Zr2 Hg1 Ir1' _cell_volume 78.06327417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10670211 0.00000000 0.00000000 1 Ir Ir1 1 -0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.55335106 2.00849266 1.56382055 1 Zr Zr3 1 1.55335106 -2.00849266 1.56382055 1 [/CIF]
HgIrZr2
Cmmm
65
orthorhombic
mmm
12,236.857048
false
[CIF] data_La2HfAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38504810 _cell_length_b 5.38504810 _cell_length_c 5.38504810 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2HfAl _chemical_formula_sum 'La2 Hf1 Al1' _cell_volume 110.42153026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.80780402 3.80780402 3.80780402 1 La La2 1 5.71170604 5.71170604 5.71170604 1 La La3 1 1.90390201 1.90390201 1.90390201 1 [/CIF]
AlHfLa2
Fm-3m
225
cubic
m-3m
7,267.689861
false
[CIF] data_Sc2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69216782 _cell_length_b 6.69216782 _cell_length_c 6.65871592 _cell_angle_alpha 99.92259833 _cell_angle_beta 99.92259833 _cell_angle_gamma 119.21120782 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Se3 _chemical_formula_sum 'Sc4 Se6' _cell_volume 244.72542364 _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 Sc Sc0 1 1.68501557 -4.75500575 4.69546620 1 Sc Sc1 1 2.81893739 4.75500575 1.56515540 1 Sc Sc2 1 2.81893739 -2.85179932 1.56515540 1 Sc Sc3 1 1.68501557 2.85179932 4.69546620 1 Se Se4 1 0.48533670 1.00798530 3.14430329 1 Se Se5 1 4.01861627 -1.00798530 3.11631831 1 Se Se6 1 0.55902733 -2.88620871 3.13031080 1 Se Se7 1 2.88469444 1.00798530 6.24662911 1 Se Se8 1 1.61925852 -1.00798530 0.01399249 1 Se Se9 1 1.69294915 2.88620871 0.00000000 1 [/CIF]
Sc4Se6
C2/c
15
monoclinic
2/m
4,434.772178
false
[CIF] data_PmCu2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77056520 _cell_length_b 4.77056520 _cell_length_c 4.77056520 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmCu2Sn _chemical_formula_sum 'Pm1 Cu2 Sn1' _cell_volume 76.77052461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pm Pm0 1 3.37329900 3.37329900 3.37329900 1 Cu Cu1 1 5.05994850 5.05994850 5.05994850 1 Cu Cu2 1 1.68664950 1.68664950 1.68664950 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2PmSn
Fm-3m
225
cubic
m-3m
8,453.009688
false
[CIF] data_TePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96094259 _cell_length_b 5.96094259 _cell_length_c 5.52146112 _cell_angle_alpha 99.78913376 _cell_angle_beta 99.78913376 _cell_angle_gamma 37.51751746 _symmetry_Int_Tables_number 1 _chemical_formula_structural TePt2 _chemical_formula_sum 'Te2 Pt4' _cell_volume 117.54046052 _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 Pt Pt0 1 1.07422034 0.00000000 3.71580848 1 Pt Pt1 1 5.54170958 -0.00000000 1.42454403 1 Pt Pt2 1 4.75545933 -0.00000000 4.00717621 1 Pt Pt3 1 9.22294857 -0.00000000 1.71591176 1 Te Te4 1 8.61996934 -0.00000000 4.41557509 1 Te Te5 1 1.67719957 -0.00000000 1.01614515 1 [/CIF]
Pt4Te2
C2/m
12
monoclinic
2/m
14,629.413354
false
[CIF] data_NaCdTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99330551 _cell_length_b 2.99330551 _cell_length_c 8.71591038 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdTc2 _chemical_formula_sum 'Na1 Cd1 Tc2' _cell_volume 78.09349258 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.49665275 1.49665275 3.99412921 1 Na Na1 1 0.00000000 0.00000000 6.72173728 1 Tc Tc2 1 1.49665275 1.49665275 0.50041737 1 Tc Tc3 1 0.00000000 0.00000000 1.85758171 1 [/CIF]
CdNaTc2
P4mm
99
tetragonal
4mm
7,085.270063
false
[CIF] data_Zn2CrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77891179 _cell_length_b 2.77891179 _cell_length_c 7.13510298 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CrIr _chemical_formula_sum 'Zn2 Cr1 Ir1' _cell_volume 55.09976775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.63590342 1 Ir Ir1 1 1.38945589 1.38945589 5.22817707 1 Zn Zn2 1 0.00000000 0.00000000 7.09813444 1 Zn Zn3 1 1.38945589 1.38945589 1.87554259 1 [/CIF]
CrIrZn2
P4mm
99
tetragonal
4mm
11,300.546388
false
[CIF] data_Fe3Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.22303619 _cell_length_b 8.22303619 _cell_length_c 8.22303619 _cell_angle_alpha 155.75866760 _cell_angle_beta 155.75866760 _cell_angle_gamma 34.54830878 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3Co _chemical_formula_sum 'Fe6 Co2' _cell_volume 93.63360092 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 -0.00000000 0.00000000 5.88990490 1 Co Co1 1 -0.00000000 -0.00000000 9.81436484 1 Fe Fe2 1 -0.00000000 1.72660101 0.00000000 1 Fe Fe3 1 0.00000000 0.00000000 1.95790525 1 Fe Fe4 1 0.00000000 -0.00000000 13.74636449 1 Fe Fe5 1 0.00000000 1.72660101 3.92606744 1 Fe Fe6 1 1.72660101 -0.00000000 3.92606744 1 Fe Fe7 1 1.72660101 0.00000000 -0.00000000 1 [/CIF]
Co2Fe6
I4/mmm
139
tetragonal
4/mmm
8,032.571245
false
[CIF] data_Cs2CaBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84599431 _cell_length_b 6.84599431 _cell_length_c 6.84599431 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2CaBe _chemical_formula_sum 'Cs2 Ca1 Be1' _cell_volume 226.87915894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 4.84084900 4.84084900 4.84084900 1 Cs Cs2 1 2.42042450 2.42042450 2.42042450 1 Cs Cs3 1 7.26127350 7.26127350 7.26127350 1 [/CIF]
BeCaCs2
Fm-3m
225
cubic
m-3m
2,304.775624
false
[CIF] data_BeCo2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67070602 _cell_length_b 4.67070602 _cell_length_c 4.67070602 _cell_angle_alpha 146.60075407 _cell_angle_beta 130.39143932 _cell_angle_gamma 61.12755993 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCo2Rh _chemical_formula_sum 'Be1 Co2 Rh1' _cell_volume 42.30707347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 0.00000000 1.95945411 2.21615714 1 Co Co2 1 1.34214707 -0.00000000 1.80561803 1 Rh Rh3 1 -0.00000000 0.00000000 4.02177517 1 [/CIF]
BeCo2Rh
Immm
71
orthorhombic
mmm
9,018.959418
false
[CIF] data_CdIn2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18598461 _cell_length_b 3.18598461 _cell_length_c 8.55436969 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdIn2Cu _chemical_formula_sum 'Cd1 In2 Cu1' _cell_volume 86.83111187 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.59299231 1.59299231 4.65289926 1 Cu Cu1 1 0.00000000 0.00000000 6.38334158 1 In In2 1 1.59299231 1.59299231 8.12002610 1 In In3 1 0.00000000 0.00000000 2.22965720 1 [/CIF]
CdCuIn2
P4mm
99
tetragonal
4mm
7,756.471236
false
[CIF] data_YTlHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22616155 _cell_length_b 5.22616155 _cell_length_c 5.22616155 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTlHg2 _chemical_formula_sum 'Y1 Tl1 Hg2' _cell_volume 100.93307228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.54318141 5.54318141 5.54318141 1 Hg Hg1 1 3.69545427 3.69545427 3.69545427 1 Tl Tl2 1 1.84772714 1.84772713 1.84772713 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2TlY
F-43m
216
cubic
-43m
11,425.325
false
[CIF] data_Hf2Sc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.34692478 _cell_length_b 13.34692478 _cell_length_c 13.34692478 _cell_angle_alpha 13.73492735 _cell_angle_beta 13.73492735 _cell_angle_gamma 13.73492735 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Sc3 _chemical_formula_sum 'Hf2 Sc3' _cell_volume 116.63299145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 15.87005573 1 Hf Hf1 1 -0.00000000 0.00000000 23.78722096 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 -0.00000000 -0.00000000 8.03705949 1 Sc Sc4 1 -0.00000000 0.00000000 31.62021720 1 [/CIF]
Hf2Sc3
R-3m
166
trigonal
-3m
7,002.584542
false
[CIF] data_Te2PSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.98704989 _cell_length_b 6.98704989 _cell_length_c 4.32180923 _cell_angle_alpha 103.62554598 _cell_angle_beta 103.62554598 _cell_angle_gamma 32.38617579 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2PSe _chemical_formula_sum 'Te2 P1 Se1' _cell_volume 109.55592563 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.53504062 -0.00000000 2.15003513 1 Se Se1 1 10.49945566 0.00000000 0.78378067 1 Te Te2 1 13.29630198 0.00000000 0.05940079 1 Te Te3 1 1.62821875 -0.00000000 3.29142013 1 [/CIF]
PSeTe2
Cm
8
monoclinic
m
5,534.332104
false
[CIF] data_ZrTc2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14725087 _cell_length_b 4.14725087 _cell_length_c 4.02955927 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTc2Hg _chemical_formula_sum 'Zr1 Tc2 Hg1' _cell_volume 69.30716939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07362543 2.07362543 0.00000000 1 Tc Tc1 1 2.07362543 0.00000000 2.01477964 1 Tc Tc2 1 0.00000000 2.07362543 2.01477964 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgTc2Zr
P4/mmm
123
tetragonal
4/mmm
11,731.019639
false