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_NaCdCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50502221 _cell_length_b 3.50502221 _cell_length_c 7.52887505 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdCl2 _chemical_formula_sum 'Na1 Cd1 Cl2' _cell_volume 92.49359040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 3.76443752 1 Cl Cl1 1 1.75251110 1.75251110 5.82921999 1 Cl Cl2 1 1.75251110 1.75251110 1.69965506 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCl2Na
P4/mmm
123
tetragonal
4/mmm
3,703.843981
false
[CIF] data_Hf2HgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09469119 _cell_length_b 5.09469119 _cell_length_c 5.09469119 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2HgSb _chemical_formula_sum 'Hf2 Hg1 Sb1' _cell_volume 93.50581008 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.40373604 5.40373604 5.40373604 1 Hf Hf1 1 3.60249069 3.60249069 3.60249069 1 Hg Hg2 1 1.80124534 1.80124534 1.80124535 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2HgSb
F-43m
216
cubic
-43m
12,063.999051
false
[CIF] data_CsI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47136600 _cell_length_b 5.33121000 _cell_length_c 16.46941700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsI _chemical_formula_sum 'Cs4 I4' _cell_volume 480.39644313 _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 Cs Cs0 1 0.21175281 1.33280250 14.42019332 1 Cs Cs1 1 2.94743581 1.33280250 10.28393218 1 Cs Cs2 1 5.25961319 3.99840750 2.04922368 1 Cs Cs3 1 2.52393019 3.99840750 6.18548482 1 I I4 1 5.26647976 1.33280250 6.18131806 1 I I5 1 2.53079676 1.33280250 2.05339044 1 I I6 1 0.20488624 3.99840750 10.28809894 1 I I7 1 2.94056924 3.99840750 14.41602656 1 [/CIF]
Cs4I4
Pnma
62
orthorhombic
mmm
3,592.237464
false
[CIF] data_YHfCdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27291582 _cell_length_b 5.27291582 _cell_length_c 5.27291582 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfCdPb _chemical_formula_sum 'Y1 Hf1 Cd1 Pb1' _cell_volume 103.66628020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.59277179 5.59277179 5.59277179 1 Hf Hf1 1 3.72851453 3.72851453 3.72851453 1 Pb Pb2 1 1.86425726 1.86425726 1.86425726 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdHfPbY
F-43m
216
cubic
-43m
9,402.747015
false
[CIF] data_Al2FeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32746551 _cell_length_b 4.32746551 _cell_length_c 3.17584082 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2FeSe _chemical_formula_sum 'Al2 Fe1 Se1' _cell_volume 59.47383683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.16373275 0.00000000 1.58792041 1 Al Al1 1 0.00000000 2.16373275 1.58792041 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 2.16373275 2.16373275 0.00000000 1 [/CIF]
Al2FeSe
P4/mmm
123
tetragonal
4/mmm
5,270.498482
false
[CIF] data_AsSeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01631339 _cell_length_b 7.01631339 _cell_length_c 7.01631339 _cell_angle_alpha 148.81732750 _cell_angle_beta 148.81732750 _cell_angle_gamma 44.68026027 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsSeCl _chemical_formula_sum 'As1 Se1 Cl1' _cell_volume 92.31607179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61363411 1 Cl Cl1 1 0.00000000 -0.00000000 3.80596223 1 Se Se2 1 0.00000000 0.00000000 7.55979366 1 [/CIF]
AsClSe
I4mm
107
tetragonal
4mm
3,405.663758
false
[CIF] data_TbCeFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88856200 _cell_length_b 4.88856200 _cell_length_c 4.88856200 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbCeFe2 _chemical_formula_sum 'Tb1 Ce1 Fe2' _cell_volume 82.60919397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 1.72836767 1.72836767 1.72836767 1 Fe Fe2 1 5.18510301 5.18510301 5.18510301 1 Tb Tb3 1 3.45673534 3.45673534 3.45673534 1 [/CIF]
CeFe2Tb
Fm-3m
225
cubic
m-3m
8,256.168833
false
[CIF] data_Cd2TePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.36844207 _cell_length_b 10.36844207 _cell_length_c 10.36844207 _cell_angle_alpha 17.69496058 _cell_angle_beta 17.69496058 _cell_angle_gamma 17.69496058 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2TePt _chemical_formula_sum 'Cd2 Te1 Pt1' _cell_volume 89.88992567 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 7.23167195 1 Cd Cd1 1 0.00000000 0.00000000 23.37917442 1 Pt Pt2 1 0.00000000 0.00000000 15.30542319 1 Te Te3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2PtTe
R-3m
166
trigonal
-3m
10,114.093372
false
[CIF] data_Ca2HfRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13600613 _cell_length_b 4.13600613 _cell_length_c 5.29173117 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2HfRe _chemical_formula_sum 'Ca2 Hf1 Re1' _cell_volume 90.52324642 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.06800307 0.00000000 2.64586559 1 Ca Ca1 1 0.00000000 2.06800307 2.64586559 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 2.06800307 2.06800307 0.00000000 1 [/CIF]
Ca2HfRe
P4/mmm
123
tetragonal
4/mmm
8,160.288264
false
[CIF] data_BaCoCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23389485 _cell_length_b 4.23389485 _cell_length_c 5.87926435 _cell_angle_alpha 109.37915255 _cell_angle_beta 109.37915255 _cell_angle_gamma 58.20352593 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCoCu2 _chemical_formula_sum 'Ba1 Co1 Cu2' _cell_volume 82.86392119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.56860642 0.00000000 2.71462495 1 Co Co1 1 0.22941231 0.00000000 5.20792576 1 Cu Cu2 1 5.16825637 0.00000000 5.38920642 1 Cu Cu3 1 4.94893551 -0.00000000 0.28529270 1 [/CIF]
BaCoCu2
Cm
8
monoclinic
m
6,479.767604
false
[CIF] data_RbTeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39629800 _cell_length_b 4.39629800 _cell_length_c 4.39629800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbTeO3 _chemical_formula_sum 'Rb1 Te1 O3' _cell_volume 84.96916869 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 0.00000000 2.19814900 1 O O1 1 2.19814900 0.00000000 0.00000000 1 O O2 1 0.00000000 2.19814900 0.00000000 1 Rb Rb3 1 0.00000000 0.00000000 0.00000000 1 Te Te4 1 2.19814900 2.19814900 2.19814900 1 [/CIF]
O3RbTe
Pm-3m
221
cubic
m-3m
5,101.971676
false
[CIF] data_KIn2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21822051 _cell_length_b 4.51997459 _cell_length_c 7.97272921 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KIn2Br _chemical_formula_sum 'K1 In2 Br1' _cell_volume 152.01004447 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10911026 2.25998730 5.54603733 1 In In1 1 0.00000000 0.00000000 0.78218764 1 In In2 1 2.10911026 2.25998730 0.97554291 1 K K3 1 0.00000000 0.00000000 4.65532594 1 [/CIF]
BrIn2K
Pmm2
25
orthorhombic
mm2
3,808.481994
false
[CIF] data_Al2CoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24651968 _cell_length_b 4.24651968 _cell_length_c 4.24651968 _cell_angle_alpha 122.03379455 _cell_angle_beta 122.03379455 _cell_angle_gamma 86.51204267 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CoPd _chemical_formula_sum 'Al2 Co1 Pd1' _cell_volume 52.37804436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.05765817 1.54636793 1 Al Al1 1 2.05765817 -0.00000000 1.54636793 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 3.09273586 1 [/CIF]
Al2CoPd
I4/mmm
139
tetragonal
4/mmm
6,952.975094
false
[CIF] data_Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93006694 _cell_length_b 2.93006694 _cell_length_c 4.81701498 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag _chemical_formula_sum Ag2 _cell_volume 35.81489761 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 -0.00000000 1.69167494 1.20425374 1 Ag Ag1 1 1.46503347 0.84583747 3.61276124 1 [/CIF]
Ag2
P6_3/mmc
194
hexagonal
6/mmm
10,002.505774
false
[CIF] data_SrCu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82515917 _cell_length_b 4.93926427 _cell_length_c 4.95698114 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCu2Br _chemical_formula_sum 'Sr1 Cu2 Br1' _cell_volume 93.65458451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 0.00000000 2.46963213 1.28424431 1 Cu Cu2 1 0.00000000 2.46963213 3.67273682 1 Sr Sr3 1 1.91257959 0.00000000 2.47849057 1 [/CIF]
BrCu2Sr
Pmmm
47
orthorhombic
mmm
5,223.750814
false
[CIF] data_Na2ZrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32268213 _cell_length_b 6.32268213 _cell_length_c 2.82041877 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 123.85142095 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ZrAu _chemical_formula_sum 'Na2 Zr1 Au1' _cell_volume 93.63711452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.97555534 -0.00000000 0.00000000 1 Na Na1 1 1.48777767 -2.78937178 1.41020938 1 Na Na2 1 1.48777767 2.78937178 1.41020938 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuNa2Zr
Cmmm
65
orthorhombic
mmm
5,926.095879
false
[CIF] data_VInAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14725711 _cell_length_b 7.01728704 _cell_length_c 2.96138616 _cell_angle_alpha 80.40330942 _cell_angle_beta 75.48351034 _cell_angle_gamma 24.11318024 _symmetry_Int_Tables_number 1 _chemical_formula_structural VInAs _chemical_formula_sum 'V1 In1 As1' _cell_volume 58.01386118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86129541 2.30334266 13.11227738 1 In In1 1 1.86129541 2.30334266 9.26158047 1 V V2 1 1.86129541 2.30334266 4.68988819 1 [/CIF]
AsInV
Fmm2
42
orthorhombic
mm2
6,889.049635
false
[CIF] data_CaNbSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95894894 _cell_length_b 3.95894894 _cell_length_c 6.21620228 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNbSn2 _chemical_formula_sum 'Ca1 Nb1 Sn2' _cell_volume 97.42825817 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 3.09595089 1 Nb Nb1 1 1.97947447 1.97947447 4.87622572 1 Sn Sn2 1 0.00000000 0.00000000 6.03543369 1 Sn Sn3 1 1.97947447 1.97947447 1.53289540 1 [/CIF]
CaNbSn2
P4mm
99
tetragonal
4mm
6,313.071083
false
[CIF] data_Sc2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22988338 _cell_length_b 3.22988338 _cell_length_c 6.63398961 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Re _chemical_formula_sum 'Sc2 Re1' _cell_volume 59.93480581 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 Sc Sc1 1 0.00000000 1.86477404 1.92531056 1 Sc Sc2 1 1.61494169 0.93238702 4.70867905 1 [/CIF]
ReSc2
P-3m1
164
trigonal
-3m
7,650.080587
false
[CIF] data_KRhW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63542996 _cell_length_b 4.63542996 _cell_length_c 4.63542996 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRhW2 _chemical_formula_sum 'K1 Rh1 W2' _cell_volume 70.42957586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 1.63887198 1.63887198 1.63887198 1 W W2 1 3.27774396 3.27774396 3.27774396 1 W W3 1 4.91661594 4.91661594 4.91661594 1 [/CIF]
KRhW2
F-43m
216
cubic
-43m
12,016.966611
false
[CIF] data_NaMnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46517360 _cell_length_b 4.46517360 _cell_length_c 4.46517360 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMnCu _chemical_formula_sum 'Na1 Mn1 Cu1' _cell_volume 62.95062502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15735453 3.15735453 3.15735453 1 Mn Mn1 1 4.73603180 4.73603180 4.73603180 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuMnNa
F-43m
216
cubic
-43m
3,731.85803
false
[CIF] data_HfInCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91386672 _cell_length_b 4.91386672 _cell_length_c 4.91386672 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfInCoBi _chemical_formula_sum 'Hf1 In1 Co1 Bi1' _cell_volume 83.89867861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.47462848 3.47462848 3.47462848 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 5.21194272 5.21194272 5.21194272 1 In In3 1 1.73731424 1.73731424 1.73731424 1 [/CIF]
BiCoHfIn
F-43m
216
cubic
-43m
11,107.807643
false
[CIF] data_Hf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59905537 _cell_length_b 4.59905537 _cell_length_c 4.59905537 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf _chemical_formula_sum Hf2 _cell_volume 68.78455267 _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 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 1.62601162 1.62601162 1.62601162 1 [/CIF]
Hf2
Fd-3m
227
cubic
m-3m
8,617.912205
false
[CIF] data_ZnFe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49660975 _cell_length_b 4.49660975 _cell_length_c 4.49660975 _cell_angle_alpha 129.32956894 _cell_angle_beta 129.32956894 _cell_angle_gamma 74.48085830 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFe2Pd _chemical_formula_sum 'Zn1 Fe2 Pd1' _cell_volume 53.01475861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92415982 1.78988248 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.92415982 0.00000000 1.78988248 1 Zn Zn3 1 -0.00000000 0.00000000 3.57976497 1 [/CIF]
Fe2PdZn
I-4m2
119
tetragonal
-42m
8,879.531517
false
[CIF] data_SrTl2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64009514 _cell_length_b 6.64009514 _cell_length_c 6.64009514 _cell_angle_alpha 142.52959343 _cell_angle_beta 133.51079768 _cell_angle_gamma 61.17349998 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTl2Sb _chemical_formula_sum 'Sr1 Tl2 Sb1' _cell_volume 127.79211431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 5.71619046 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 0.00000000 2.62056188 2.57690668 1 Tl Tl3 1 2.13276475 0.00000000 3.13928378 1 [/CIF]
SbSrTl2
Immm
71
orthorhombic
mmm
8,032.237229
false
[CIF] data_NbSiRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47347313 _cell_length_b 4.47347313 _cell_length_c 4.47347313 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSiRuAu _chemical_formula_sum 'Nb1 Si1 Ru1 Au1' _cell_volume 63.30230154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16322318 3.16322318 3.16322318 1 Ru Ru1 1 1.58161159 1.58161159 1.58161159 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Au Au3 1 4.74483477 4.74483477 4.74483477 1 [/CIF]
AuNbRuSi
F-43m
216
cubic
-43m
10,991.908551
false
[CIF] data_KAlBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55852428 _cell_length_b 5.55852428 _cell_length_c 5.55852428 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAlBr _chemical_formula_sum 'K1 Al1 Br1' _cell_volume 121.44049329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 3.93047021 3.93047021 3.93047021 1 K K2 1 5.89570532 5.89570531 5.89570531 1 [/CIF]
AlBrK
F-43m
216
cubic
-43m
1,996.137042
false
[CIF] data_GaAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85016611 _cell_length_b 5.85016611 _cell_length_c 4.74765166 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAg3 _chemical_formula_sum 'Ga2 Ag6' _cell_volume 140.71677534 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.92508306 3.36740268 1.18691291 1 Ag Ag1 1 0.00000000 1.69898979 3.56073875 1 Ag Ag2 1 4.37879780 0.84949489 1.18691291 1 Ag Ag3 1 -1.45371474 4.21689758 3.56073875 1 Ag Ag4 1 1.45371474 4.21689758 3.56073875 1 Ag Ag5 1 1.47136832 0.84949489 1.18691291 1 Ga Ga6 1 0.00000000 3.37759498 1.18691291 1 Ga Ga7 1 2.92508306 1.68879749 3.56073875 1 [/CIF]
Ag6Ga2
P6_3/mmc
194
hexagonal
6/mmm
9,283.979929
false
[CIF] data_KCaPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05621784 _cell_length_b 5.05621784 _cell_length_c 5.05621784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaPt2 _chemical_formula_sum 'K1 Ca1 Pt2' _cell_volume 91.40339592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57528592 3.57528592 3.57528592 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 5.36292888 5.36292888 5.36292888 1 Pt Pt3 1 1.78764296 1.78764296 1.78764296 1 [/CIF]
CaKPt2
Fm-3m
225
cubic
m-3m
8,526.647593
false
[CIF] data_NaMgCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77665725 _cell_length_b 4.77665725 _cell_length_c 4.77665725 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgCoBi _chemical_formula_sum 'Na1 Mg1 Co1 Bi1' _cell_volume 77.06501009 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.06641010 5.06641010 5.06641010 1 Co Co1 1 3.37760673 3.37760673 3.37760673 1 Mg Mg2 1 1.68880337 1.68880337 1.68880337 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCoMgNa
F-43m
216
cubic
-43m
6,791.873542
false
[CIF] data_Ta2AsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04073134 _cell_length_b 3.04073134 _cell_length_c 7.15233621 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2AsPt _chemical_formula_sum 'Ta2 As1 Pt1' _cell_volume 66.13083734 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 3.57616810 1 Ta Ta2 1 1.52036567 1.52036567 5.49923391 1 Ta Ta3 1 1.52036567 1.52036567 1.65310230 1 [/CIF]
AsPtTa2
P4/mmm
123
tetragonal
4/mmm
15,866.983342
false
[CIF] data_Rb3PS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37220700 _cell_length_b 11.07093700 _cell_length_c 9.37853400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3PS4 _chemical_formula_sum 'Rb12 P4 S16' _cell_volume 973.10837141 _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 P P0 1 2.58968672 2.76773425 0.18041847 1 P P1 1 7.27579022 2.76773425 4.50884853 1 P P2 1 2.09641678 8.30320275 4.86968547 1 P P3 1 6.78252028 8.30320275 9.19811553 1 Rb Rb4 1 1.45078681 8.30320275 0.83739847 1 Rb Rb5 1 5.07011675 0.45904505 1.93035847 1 Rb Rb6 1 5.07011675 5.07642345 1.93035847 1 Rb Rb7 1 0.38401325 0.45904505 2.75890853 1 Rb Rb8 1 0.38401325 5.07642345 2.75890853 1 Rb Rb9 1 6.13689031 8.30320275 3.85186853 1 Rb Rb10 1 3.23531669 2.76773425 5.52666547 1 Rb Rb11 1 8.98819375 5.99451355 6.61962547 1 Rb Rb12 1 8.98819375 10.61189195 6.61962547 1 Rb Rb13 1 4.30209025 5.99451355 7.44817553 1 Rb Rb14 1 4.30209025 10.61189195 7.44817553 1 Rb Rb15 1 7.92142019 2.76773425 8.54113553 1 S S16 1 7.76721664 6.59952188 0.42163849 1 S S17 1 7.76721664 10.00688362 0.42163849 1 S S18 1 4.88930672 8.30320275 0.65289851 1 S S19 1 2.72295678 2.76773425 2.23576846 1 S S20 1 7.40906028 2.76773425 2.45349854 1 S S21 1 0.20320322 8.30320275 4.03636849 1 S S22 1 3.08111314 6.59952188 4.26762851 1 S S23 1 3.08111314 10.00688362 4.26762851 1 S S24 1 6.29109386 1.06405338 5.11090549 1 S S25 1 6.29109386 4.47141512 5.11090549 1 S S26 1 9.16900378 2.76773425 5.34216551 1 S S27 1 1.96314672 8.30320275 6.92503546 1 S S28 1 6.64925022 8.30320275 7.14276554 1 S S29 1 4.48290028 2.76773425 8.72563549 1 S S30 1 1.60499036 1.06405338 8.95689551 1 S S31 1 1.60499036 4.47141512 8.95689551 1 [/CIF]
P4Rb12S16
Pnma
62
orthorhombic
mmm
2,837.019043
false
[CIF] data_Nd2TeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29701468 _cell_length_b 5.29701468 _cell_length_c 5.29701468 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2TeW _chemical_formula_sum 'Nd2 Te1 W1' _cell_volume 105.09414750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd Nd0 1 5.61833250 5.61833250 5.61833250 1 Nd Nd1 1 1.87277750 1.87277750 1.87277750 1 Te Te2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.74555500 3.74555500 3.74555500 1 [/CIF]
Nd2TeW
Fm-3m
225
cubic
m-3m
9,479.09339
false
[CIF] data_TlCrBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89487403 _cell_length_b 3.89487403 _cell_length_c 8.32584567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCrBr2 _chemical_formula_sum 'Tl1 Cr1 Br2' _cell_volume 126.30344273 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.06854302 1 Br Br1 1 1.94743701 1.94743701 3.07893686 1 Cr Cr2 1 0.00000000 0.00000000 2.69862822 1 Tl Tl3 1 1.94743701 1.94743701 6.64266041 1 [/CIF]
Br2CrTl
P4mm
99
tetragonal
4mm
5,471.70704
false
[CIF] data_BaMgBePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04671258 _cell_length_b 5.04671258 _cell_length_c 5.04671258 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgBePd _chemical_formula_sum 'Ba1 Mg1 Be1 Pd1' _cell_volume 90.88887283 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78428235 1.78428235 1.78428235 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 3.56856469 3.56856469 3.56856469 1 Pd Pd3 1 5.35284704 5.35284704 5.35284704 1 [/CIF]
BaBeMgPd
F-43m
216
cubic
-43m
5,061.960654
false
[CIF] data_RbInTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91586935 _cell_length_b 4.91586935 _cell_length_c 4.91586935 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbInTc2 _chemical_formula_sum 'Rb1 In1 Tc2' _cell_volume 84.00129836 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.47604455 3.47604455 3.47604455 1 Rb Rb1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.73802228 1.73802228 1.73802228 1 Tc Tc3 1 5.21406683 5.21406683 5.21406683 1 [/CIF]
InRbTc2
Fm-3m
225
cubic
m-3m
7,869.611856
false
[CIF] data_MoCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09173211 _cell_length_b 3.09173211 _cell_length_c 3.09173211 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoCl _chemical_formula_sum 'Mo1 Cl1' _cell_volume 29.55327190 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 1.54586606 1.54586606 1.54586606 1 [/CIF]
ClMo
Pm-3m
221
cubic
m-3m
7,383.832867
false
[CIF] data_FePdBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72620592 _cell_length_b 3.63018516 _cell_length_c 7.00639036 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.80849051 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePdBr2 _chemical_formula_sum 'Fe1 Pd1 Br2' _cell_volume 93.89539038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.05151845 0.00000000 0.65939506 1 Br Br1 1 0.79655296 1.81509258 4.67932380 1 Fe Fe2 1 0.81136509 0.00000000 2.95021216 1 Pd Pd3 1 2.50201496 1.81509258 2.12320668 1 [/CIF]
Br2FePd
Pm
6
monoclinic
m
5,695.857876
false
[CIF] data_Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70499338 _cell_length_b 4.70499338 _cell_length_c 4.70499338 _cell_angle_alpha 146.76060167 _cell_angle_beta 146.76060167 _cell_angle_gamma 47.71838175 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rh _chemical_formula_sum Rh2 _cell_volume 31.16930139 _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 Rh Rh0 1 -0.00000000 0.00000000 1.22346876 1 Rh Rh1 1 0.00000000 0.00000000 7.38236206 1 [/CIF]
Rh4
I4/mmm
139
tetragonal
4/mmm
10,964.544977
false
[CIF] data_TaIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27388557 _cell_length_b 4.27388557 _cell_length_c 4.27388557 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaIrOs _chemical_formula_sum 'Ta1 Ir1 Os1' _cell_volume 55.20185513 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.51104674 1.51104674 1.51104674 1 Os Os1 1 4.53314021 4.53314021 4.53314021 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrOsTa
F-43m
216
cubic
-43m
16,947.604494
false
[CIF] data_SiAg2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00203943 _cell_length_b 4.00203943 _cell_length_c 4.27978079 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAg2Au _chemical_formula_sum 'Si1 Ag2 Au1' _cell_volume 68.54633695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 2.00101971 2.13989040 1 Ag Ag1 1 2.00101971 0.00000000 2.13989040 1 Au Au2 1 2.00101971 2.00101971 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2AuSi
P4/mmm
123
tetragonal
4/mmm
10,678.126731
false
[CIF] data_Ta2TcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18558407 _cell_length_b 3.18558407 _cell_length_c 6.06054322 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TcNi _chemical_formula_sum 'Ta2 Tc1 Ni1' _cell_volume 61.50206433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 1.59279203 1.59279203 1.48236645 1 Ta Ta2 1 1.59279203 1.59279203 4.57817677 1 Tc Tc3 1 0.00000000 0.00000000 3.03027161 1 [/CIF]
NiTa2Tc
P4/mmm
123
tetragonal
4/mmm
14,026.284936
false
[CIF] data_NaMnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19447653 _cell_length_b 3.19447653 _cell_length_c 8.26721805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMnSb2 _chemical_formula_sum 'Na1 Mn1 Sb2' _cell_volume 84.36431718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.13360903 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 1.59723827 1.59723827 2.53289514 1 Sb Sb3 1 1.59723827 1.59723827 5.73432291 1 [/CIF]
MnNaSb2
P4/mmm
123
tetragonal
4/mmm
6,327.042894
false
[CIF] data_La4MnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32532829 _cell_length_b 6.32532829 _cell_length_c 6.32532829 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4MnTe _chemical_formula_sum 'La4 Mn1 Te1' _cell_volume 178.95103522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 3.34805764 3.34805764 5.59730742 1 La La1 1 3.34805764 5.59730742 3.34805764 1 La La2 1 5.59730742 3.34805764 3.34805764 1 La La3 1 5.59730742 5.59730742 5.59730742 1 Mn Mn4 1 0.00000000 0.00000000 0.00000000 1 Te Te5 1 2.23634127 2.23634127 2.23634127 1 [/CIF]
La4MnTe
F-43m
216
cubic
-43m
6,849.602135
false
[CIF] data_K4IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16652357 _cell_length_b 6.16652357 _cell_length_c 6.16652357 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4IrRu _chemical_formula_sum 'K4 Ir1 Ru1' _cell_volume 165.80827031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18019532 2.18019532 2.18019532 1 K K1 1 5.44700684 3.27377442 3.27377442 1 K K2 1 3.27377442 3.27377442 5.44700684 1 K K3 1 3.27377442 5.44700684 3.27377442 1 K K4 1 5.44700684 5.44700684 5.44700684 1 Ru Ru5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrK4Ru
F-43m
216
cubic
-43m
4,503.463779
false
[CIF] data_CaMgC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15372929 _cell_length_b 4.15372929 _cell_length_c 4.15372929 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgC3 _chemical_formula_sum 'Ca1 Mg1 C3' _cell_volume 71.66623129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 2.07686465 0.00000000 1 C C1 1 0.00000000 0.00000000 2.07686465 1 C C2 1 2.07686465 0.00000000 0.00000000 1 Ca Ca3 1 2.07686465 2.07686465 2.07686465 1 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C3CaMg
Pm-3m
221
cubic
m-3m
2,326.663387
false
[CIF] data_NbNiMoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59327769 _cell_length_b 4.59327769 _cell_length_c 4.59327769 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbNiMoPb _chemical_formula_sum 'Nb1 Ni1 Mo1 Pb1' _cell_volume 68.52564098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.62396890 1.62396890 1.62396890 1 Nb Nb1 1 4.87190670 4.87190670 4.87190670 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.24793780 3.24793780 3.24793780 1 [/CIF]
MoNbNiPb
F-43m
216
cubic
-43m
11,019.90977
false
[CIF] data_AlV2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47515729 _cell_length_b 4.47515729 _cell_length_c 4.47515729 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlV2In _chemical_formula_sum 'Al1 V2 In1' _cell_volume 63.37382441 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.58220703 1.58220704 1.58220704 1 V V2 1 3.16441407 3.16441407 3.16441407 1 V V3 1 4.74662111 4.74662111 4.74662111 1 [/CIF]
AlInV2
F-43m
216
cubic
-43m
6,385.039548
false
[CIF] data_LiLaCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00952496 _cell_length_b 6.00952496 _cell_length_c 6.00952496 _cell_angle_alpha 142.68746388 _cell_angle_beta 142.68746388 _cell_angle_gamma 53.79459801 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaCd _chemical_formula_sum 'Li1 La1 Cd1' _cell_volume 79.22426021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 -0.00000000 0.22779937 1 La La1 1 0.00000000 0.00000000 3.61079813 1 Li Li2 1 0.00000000 0.00000000 6.88021786 1 [/CIF]
CdLaLi
I4mm
107
tetragonal
4mm
5,413.071918
false
[CIF] data_BaNbAlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29697889 _cell_length_b 5.29697889 _cell_length_c 5.29697889 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNbAlCd _chemical_formula_sum 'Ba1 Nb1 Al1 Cd1' _cell_volume 105.09201705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 5.61829454 5.61829454 5.61829454 1 Cd Cd2 1 1.87276485 1.87276485 1.87276485 1 Nb Nb3 1 3.74552969 3.74552969 3.74552969 1 [/CIF]
AlBaCdNb
F-43m
216
cubic
-43m
5,840.389167
false
[CIF] data_KAl2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14196287 _cell_length_b 5.14196287 _cell_length_c 5.14196287 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAl2Hg _chemical_formula_sum 'K1 Al2 Hg1' _cell_volume 96.13284850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.45387522 5.45387522 5.45387522 1 Al Al1 1 1.81795841 1.81795841 1.81795841 1 Hg Hg2 1 3.63591681 3.63591681 3.63591681 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2HgK
Fm-3m
225
cubic
m-3m
5,072.351349
false
[CIF] data_LaTlHgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53178527 _cell_length_b 5.53178527 _cell_length_c 5.53178527 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlHgPb _chemical_formula_sum 'La1 Tl1 Hg1 Pb1' _cell_volume 119.69636011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95578144 1.95578144 1.95578144 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.86734432 5.86734432 5.86734432 1 Tl Tl3 1 3.91156288 3.91156288 3.91156288 1 [/CIF]
HgLaPbTl
F-43m
216
cubic
-43m
10,419.662207
false
[CIF] data_YCr2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62598123 _cell_length_b 4.62598123 _cell_length_c 4.62598123 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCr2Ga _chemical_formula_sum 'Y1 Cr2 Ga1' _cell_volume 69.99976823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63553135 1.63553135 1.63553135 1 Cr Cr1 1 4.90659405 4.90659405 4.90659405 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.27106270 3.27106270 3.27106270 1 [/CIF]
Cr2GaY
Fm-3m
225
cubic
m-3m
6,229.913674
false
[CIF] data_Dy2TlAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27036524 _cell_length_b 5.27036524 _cell_length_c 5.27036524 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy2TlAg _chemical_formula_sum 'Dy2 Tl1 Ag1' _cell_volume 103.51591886 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.59006650 5.59006650 5.59006650 1 Dy Dy1 1 1.86335550 1.86335550 1.86335550 1 Tl Tl2 1 3.72671100 3.72671100 3.72671100 1 Ag Ag3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgDy2Tl
Fm-3m
225
cubic
m-3m
10,222.398861
false
[CIF] data_BeVTcIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21858050 _cell_length_b 4.21858050 _cell_length_c 4.21858050 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeVTcIr _chemical_formula_sum 'Be1 V1 Tc1 Ir1' _cell_volume 53.08649170 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 2.98298688 2.98298688 2.98298688 1 Tc Tc2 1 1.49149344 1.49149344 1.49149344 1 V V3 1 4.47448032 4.47448032 4.47448032 1 [/CIF]
BeIrTcV
F-43m
216
cubic
-43m
10,981.642584
false
[CIF] data_BaReMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91274731 _cell_length_b 2.91274731 _cell_length_c 10.03648193 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.58521580 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaReMo2 _chemical_formula_sum 'Ba1 Re1 Mo2' _cell_volume 79.71365127 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.54742040 1 Mo Mo1 1 1.65847634 -0.00000000 9.55658965 1 Mo Mo2 1 0.00000000 0.00000000 7.50861541 1 Re Re3 1 1.65847634 -0.00000000 5.47857936 1 [/CIF]
BaMo2Re
Cmm2
35
orthorhombic
mm2
10,737.577446
false
[CIF] data_Li2GdBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61035370 _cell_length_b 4.61035370 _cell_length_c 4.61035370 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2GdBe _chemical_formula_sum 'Li2 Gd1 Be1' _cell_volume 69.29274034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Gd Gd1 1 3.26001236 3.26001236 3.26001236 1 Li Li2 1 1.63000618 1.63000618 1.63000618 1 Li Li3 1 4.89001854 4.89001854 4.89001854 1 [/CIF]
BeGdLi2
Fm-3m
225
cubic
m-3m
4,316.995552
false
[CIF] data_KTaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07397036 _cell_length_b 5.07397036 _cell_length_c 5.07397036 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaAu _chemical_formula_sum 'K1 Ta1 Au1' _cell_volume 92.36953988 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.79391942 1.79391942 1.79391942 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 5.38175827 5.38175828 5.38175828 1 [/CIF]
AuKTa
F-43m
216
cubic
-43m
7,496.691679
false
[CIF] data_Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59278831 _cell_length_b 3.59278831 _cell_length_c 3.59278831 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni _chemical_formula_sum Ni2 _cell_volume 32.79290497 _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 Ni Ni0 1 1.27024249 1.27024249 1.27024249 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2
Fd-3m
227
cubic
m-3m
5,944.132351
false
[CIF] data_MnCrIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56879215 _cell_length_b 4.56879215 _cell_length_c 4.56879215 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCrIrPb _chemical_formula_sum 'Mn1 Cr1 Ir1 Pb1' _cell_volume 67.43559656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.23062391 3.23062391 3.23062391 1 Ir Ir2 1 1.61531195 1.61531195 1.61531195 1 Pb Pb3 1 4.84593586 4.84593586 4.84593586 1 [/CIF]
CrIrMnPb
F-43m
216
cubic
-43m
12,468.427663
false
[CIF] data_CuRuW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68893920 _cell_length_b 4.68893920 _cell_length_c 4.78490150 _cell_angle_alpha 99.54247487 _cell_angle_beta 99.54247487 _cell_angle_gamma 34.44702630 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRuW2 _chemical_formula_sum 'Cu1 Ru1 W2' _cell_volume 58.60350533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.03616071 0.00000000 2.39048312 1 Ru Ru1 1 6.51319141 -0.00000000 1.16677359 1 W W2 1 0.02539317 -0.00000000 0.08320682 1 W W3 1 1.61555908 0.00000000 3.42795794 1 [/CIF]
CuRuW2
Cm
8
monoclinic
m
15,082.686573
false
[CIF] data_TeP2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85127923 _cell_length_b 3.85127923 _cell_length_c 6.38101650 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeP2Cl _chemical_formula_sum 'Te1 P2 Cl1' _cell_volume 94.64548098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 1.92563962 1.92563962 2.11402260 1 P P2 1 1.92563962 1.92563962 4.26699390 1 Te Te3 1 0.00000000 0.00000000 3.19050825 1 [/CIF]
ClP2Te
P4/mmm
123
tetragonal
4/mmm
3,947.596401
false
[CIF] data_Y2HfRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41331407 _cell_length_b 3.41331407 _cell_length_c 8.51871839 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2HfRe _chemical_formula_sum 'Y2 Hf1 Re1' _cell_volume 99.24914229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 4.77986797 1 Re Re1 1 1.70665703 1.70665703 6.14964892 1 Y Y2 1 0.00000000 0.00000000 7.97189981 1 Y Y3 1 1.70665703 1.70665703 2.39537928 1 [/CIF]
HfReY2
P4mm
99
tetragonal
4mm
9,076.728486
false
[CIF] data_CoSnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46292090 _cell_length_b 4.46292090 _cell_length_c 4.46292090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSnBr _chemical_formula_sum 'Co1 Sn1 Br1' _cell_volume 62.85539644 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.73364245 4.73364245 4.73364245 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.57788082 1.57788082 1.57788082 1 [/CIF]
BrCoSn
F-43m
216
cubic
-43m
6,803.985068
false
[CIF] data_HfCoSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62292032 _cell_length_b 5.62292032 _cell_length_c 5.32825419 _cell_angle_alpha 117.54968278 _cell_angle_beta 117.54968278 _cell_angle_gamma 32.09236304 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoSn2 _chemical_formula_sum 'Hf1 Co1 Sn2' _cell_volume 78.45582278 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 4.12168734 0.00000000 2.33530297 1 Sn Sn2 1 7.17452355 -0.00000000 1.01294677 1 Sn Sn3 1 1.06885112 0.00000000 3.65765917 1 [/CIF]
CoHfSn2
C2/m
12
monoclinic
2/m
10,050.186817
false
[CIF] data_BaSrCoHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37049054 _cell_length_b 5.37049054 _cell_length_c 5.37049054 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrCoHg _chemical_formula_sum 'Ba1 Sr1 Co1 Hg1' _cell_volume 109.52843196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89875514 1.89875514 1.89875514 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 5.69626542 5.69626542 5.69626542 1 Sr Sr3 1 3.79751028 3.79751028 3.79751028 1 [/CIF]
BaCoHgSr
F-43m
216
cubic
-43m
7,344.95757
false
[CIF] data_TbGdHo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62929547 _cell_length_b 5.62929547 _cell_length_c 5.62929547 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbGdHo2 _chemical_formula_sum 'Tb1 Gd1 Ho2' _cell_volume 126.13834704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 -0.00000000 0.00000000 0.00000000 1 Ho Ho1 1 5.97076950 5.97076950 5.97076950 1 Ho Ho2 1 1.99025650 1.99025650 1.99025650 1 Tb Tb3 1 3.98051300 3.98051300 3.98051300 1 [/CIF]
GdHo2Tb
Fm-3m
225
cubic
m-3m
8,504.693656
false
[CIF] data_Hg4MoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91483302 _cell_length_b 5.91483302 _cell_length_c 5.91483302 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg4MoPb _chemical_formula_sum 'Hg4 Mo1 Pb1' _cell_volume 146.32295692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.13258236 3.13258236 5.23225472 1 Hg Hg1 1 3.13258236 5.23225472 3.13258236 1 Hg Hg2 1 5.23225472 3.13258236 3.13258236 1 Hg Hg3 1 5.23225472 5.23225472 5.23225472 1 Mo Mo4 1 0.00000000 0.00000000 0.00000000 1 Pb Pb5 1 2.09120927 2.09120927 2.09120927 1 [/CIF]
Hg4MoPb
F-43m
216
cubic
-43m
12,545.940757
false
[CIF] data_La4AlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44876208 _cell_length_b 6.44876208 _cell_length_c 6.44876208 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4AlSn _chemical_formula_sum 'La4 Al1 Sn1' _cell_volume 189.63306576 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 5.69927393 5.69927393 3.42065287 1 La La2 1 5.69927393 3.42065287 5.69927393 1 La La3 1 3.42065287 5.69927393 5.69927393 1 La La4 1 3.42065287 3.42065287 3.42065287 1 Sn Sn5 1 6.83994510 6.83994510 6.83994510 1 [/CIF]
AlLa4Sn
F-43m
216
cubic
-43m
6,141.114287
false
[CIF] data_CaLaScPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30477963 _cell_length_b 5.30477963 _cell_length_c 5.30477963 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaScPd _chemical_formula_sum 'Ca1 La1 Sc1 Pd1' _cell_volume 105.55700132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 3.75104565 3.75104565 3.75104565 1 Pd Pd2 1 1.87552283 1.87552283 1.87552283 1 Sc Sc3 1 5.62656848 5.62656848 5.62656848 1 [/CIF]
CaLaPdSc
F-43m
216
cubic
-43m
5,196.951912
false
[CIF] data_ScTlAgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74627980 _cell_length_b 4.74627980 _cell_length_c 4.74627980 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTlAgOs _chemical_formula_sum 'Sc1 Tl1 Ag1 Os1' _cell_volume 75.60404156 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35612663 3.35612663 3.35612663 1 Os Os1 1 1.67806331 1.67806331 1.67806331 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 5.03418994 5.03418994 5.03418994 1 [/CIF]
AgOsScTl
F-43m
216
cubic
-43m
12,023.711834
false
[CIF] data_NaGaReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77523534 _cell_length_b 4.77523534 _cell_length_c 4.77523534 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGaReBi _chemical_formula_sum 'Na1 Ga1 Re1 Bi1' _cell_volume 76.99620885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.06490193 5.06490193 5.06490193 1 Ga Ga1 1 1.68830065 1.68830065 1.68830064 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 3.37660129 3.37660129 3.37660129 1 [/CIF]
BiGaNaRe
F-43m
216
cubic
-43m
10,522.301083
false
[CIF] data_LiTiBeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17698353 _cell_length_b 4.17698353 _cell_length_c 4.17698353 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiBeRu _chemical_formula_sum 'Li1 Ti1 Be1 Ru1' _cell_volume 51.53156014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47678669 1.47678669 1.47678669 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 2.95357338 2.95357338 2.95357338 1 Ti Ti3 1 4.43036007 4.43036007 4.43036007 1 [/CIF]
BeLiRuTi
F-43m
216
cubic
-43m
5,313.37666
false
[CIF] data_CaLa2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03500237 _cell_length_b 5.03500237 _cell_length_c 4.50099748 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.27106747 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLa2Ge _chemical_formula_sum 'Ca1 La2 Ge1' _cell_volume 114.07783016 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 -0.00000000 -0.00000000 0.00000000 1 Ge Ge1 1 3.52057488 0.00000000 0.00000000 1 La La2 1 1.76028744 -1.79977786 2.25049874 1 La La3 1 1.76028744 1.79977786 2.25049874 1 [/CIF]
CaGeLa2
Cmmm
65
orthorhombic
mmm
5,684.615149
false
[CIF] data_Tl2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86825431 _cell_length_b 5.22117983 _cell_length_c 9.93126718 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2Hg _chemical_formula_sum 'Tl8 Hg4' _cell_volume 356.13912292 _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 Hg Hg0 1 1.38633598 1.30529496 8.83401013 1 Hg Hg1 1 2.04779118 3.91588487 3.86837654 1 Hg Hg2 1 4.82046313 1.30529496 6.06289064 1 Hg Hg3 1 5.48191833 3.91588487 1.09725705 1 Tl Tl4 1 3.69317772 1.30529496 2.80591895 1 Tl Tl5 1 6.60920374 3.91588487 7.77155254 1 Tl Tl6 1 0.25905057 1.30529496 2.15971464 1 Tl Tl7 1 3.17507659 3.91588487 7.12534823 1 Tl Tl8 1 4.63177708 1.30529496 9.31602647 1 Tl Tl9 1 5.67060439 3.91588487 4.35039288 1 Tl Tl10 1 1.19764992 1.30529496 5.58087430 1 Tl Tl11 1 2.23647723 3.91588487 0.61524071 1 [/CIF]
Hg4Tl8
Pnma
62
orthorhombic
mmm
11,364.77713
false
[CIF] data_MgBeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54557720 _cell_length_b 4.54557720 _cell_length_c 4.54557720 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBeTe _chemical_formula_sum 'Mg1 Be1 Te1' _cell_volume 66.41284962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 4.82131269 4.82131269 4.82131269 1 Te Te2 1 1.60710423 1.60710423 1.60710423 1 [/CIF]
BeMgTe
F-43m
216
cubic
-43m
4,023.457339
false
[CIF] data_TlCo2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55895714 _cell_length_b 4.55895714 _cell_length_c 3.14999956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCo2Cl _chemical_formula_sum 'Tl1 Co2 Cl1' _cell_volume 65.46987500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 0.00000000 2.27947857 1.57499978 1 Co Co2 1 2.27947857 0.00000000 1.57499978 1 Tl Tl3 1 2.27947857 2.27947857 0.00000000 1 [/CIF]
ClCo2Tl
P4/mmm
123
tetragonal
4/mmm
9,072.558806
false
[CIF] data_BAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51846726 _cell_length_b 4.51846726 _cell_length_c 4.51846726 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BAs3 _chemical_formula_sum 'B1 As3' _cell_volume 65.23165866 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59751942 1.59751942 1.59751942 1 As As1 1 3.19503884 3.19503884 3.19503884 1 As As2 1 4.79255826 4.79255826 4.79255826 1 B B3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As3B
Fm-3m
225
cubic
m-3m
5,996.824657
false
[CIF] data_AlZnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48296495 _cell_length_b 3.57813541 _cell_length_c 5.25616822 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZnP2 _chemical_formula_sum 'Al1 Zn1 P2' _cell_volume 65.50510272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.74148248 0.00000000 2.62808411 1 P P2 1 1.74148248 1.78906770 0.00000000 1 Zn Zn3 1 0.00000000 1.78906770 2.62808411 1 [/CIF]
AlP2Zn
Pmmm
47
orthorhombic
mmm
3,911.698725
false
[CIF] data_AgAs2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36261426 _cell_length_b 8.36261426 _cell_length_c 8.36261426 _cell_angle_alpha 21.68617572 _cell_angle_beta 21.68617572 _cell_angle_gamma 21.68617572 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgAs2Rh _chemical_formula_sum 'Ag1 As2 Rh1' _cell_volume 69.98271388 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.24439985 1 As As1 1 -0.00000000 -0.00000000 6.35767271 1 As As2 1 0.00000000 -0.00000000 18.13112699 1 Rh Rh3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
AgAs2Rh
R-3m
166
trigonal
-3m
8,556.662312
false
[CIF] data_ZrAg4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38565124 _cell_length_b 5.38565124 _cell_length_c 5.38565124 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAg4Pd _chemical_formula_sum 'Zr1 Ag4 Pd1' _cell_volume 110.45863700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.75815322 4.75815322 2.85830780 1 Ag Ag1 1 4.75815322 2.85830780 4.75815322 1 Ag Ag2 1 2.85830780 4.75815322 4.75815322 1 Ag Ag3 1 2.85830780 2.85830780 2.85830780 1 Pd Pd4 1 5.71234577 5.71234577 5.71234577 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag4PdZr
F-43m
216
cubic
-43m
9,457.594736
false
[CIF] data_LaTi2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27471790 _cell_length_b 5.27471790 _cell_length_c 5.27471790 _cell_angle_alpha 130.71440489 _cell_angle_beta 130.71440489 _cell_angle_gamma 72.26722428 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTi2Ga _chemical_formula_sum 'La1 Ti2 Ga1' _cell_volume 82.42637086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 -0.00000000 0.00000000 4.26009478 1 Ti Ti2 1 0.00000000 2.19934552 2.13004739 1 Ti Ti3 1 2.19934552 -0.00000000 2.13004739 1 [/CIF]
GaLaTi2
I4/mmm
139
tetragonal
4/mmm
6,131.602867
false
[CIF] data_CaMg2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50394897 _cell_length_b 5.50394897 _cell_length_c 5.90247596 _cell_angle_alpha 101.21391410 _cell_angle_beta 101.21391410 _cell_angle_gamma 37.20970413 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg2Cd _chemical_formula_sum 'Ca1 Mg2 Cd1' _cell_volume 105.82939196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.56838385 -0.00000000 2.82396078 1 Cd Cd1 1 7.46910104 -0.00000000 1.33776159 1 Mg Mg2 1 -1.15467947 -0.00000000 5.74813061 1 Mg Mg3 1 1.73824701 0.00000000 4.53233906 1 [/CIF]
CaCdMg2
Cm
8
monoclinic
m
3,155.387549
false
[CIF] data_NaSrMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11552022 _cell_length_b 5.11552022 _cell_length_c 5.11552022 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrMoPd _chemical_formula_sum 'Na1 Sr1 Mo1 Pd1' _cell_volume 94.65736706 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 3.61721904 3.61721904 3.61721904 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 5.42582856 5.42582856 5.42582856 1 Sr Sr3 1 1.80860952 1.80860952 1.80860952 1 [/CIF]
MoNaPdSr
F-43m
216
cubic
-43m
5,490.663384
false
[CIF] data_Li2VGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33540362 _cell_length_b 4.33540362 _cell_length_c 4.33540362 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2VGe _chemical_formula_sum 'Li2 V1 Ge1' _cell_volume 57.62004729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06559330 3.06559330 3.06559330 1 Li Li1 1 1.53279665 1.53279665 1.53279665 1 Li Li2 1 4.59838995 4.59838995 4.59838995 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeLi2V
Fm-3m
225
cubic
m-3m
3,961.529411
false
[CIF] data_InIrBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15405378 _cell_length_b 5.15405378 _cell_length_c 5.15405378 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InIrBr3 _chemical_formula_sum 'In1 Ir1 Br3' _cell_volume 136.91367810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.57702689 2.57702689 2.57702689 1 Br Br1 1 2.57702689 0.00000000 2.57702689 1 Br Br2 1 2.57702689 2.57702689 0.00000000 1 Br Br3 1 0.00000000 2.57702689 2.57702689 1 In In4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br3InIr
Pm-3m
221
cubic
m-3m
6,631.147199
false
[CIF] data_Na2CuCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04982605 _cell_length_b 4.04982605 _cell_length_c 6.01703113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CuCl _chemical_formula_sum 'Na2 Cu1 Cl1' _cell_volume 98.68587533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 2.23506328 1 Cu Cu1 1 2.02491303 2.02491303 5.17518223 1 Na Na2 1 0.00000000 0.00000000 5.42935336 1 Na Na3 1 2.02491303 2.02491303 2.20297890 1 [/CIF]
ClCuNa2
P4mm
99
tetragonal
4mm
2,439.483121
false
[CIF] data_ZrTe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98802577 _cell_length_b 4.98802577 _cell_length_c 4.98802577 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTe2Ir _chemical_formula_sum 'Zr1 Te2 Ir1' _cell_volume 87.75483804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 5.29060028 5.29060028 5.29060028 1 Te Te1 1 1.76353343 1.76353343 1.76353342 1 Te Te2 1 3.52706685 3.52706685 3.52706685 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrTe2Zr
F-43m
216
cubic
-43m
10,192.42293
false
[CIF] data_BiP2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17314035 _cell_length_b 4.03190840 _cell_length_c 4.67141348 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.46154746 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiP2Os _chemical_formula_sum 'Bi1 P2 Os1' _cell_volume 77.03247686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62244133 0.00000000 2.28912874 1 Os Os1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 0.22285447 2.01595420 4.02984418 1 P P3 1 3.02202819 2.01595420 0.54841330 1 [/CIF]
BiOsP2
P2/m
10
monoclinic
2/m
9,940.881818
false
[CIF] data_LaTi2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19838352 _cell_length_b 3.19838352 _cell_length_c 7.92415203 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTi2V _chemical_formula_sum 'La1 Ti2 V1' _cell_volume 81.06135840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 3.96207602 1 Ti Ti1 1 1.59919176 1.59919176 6.48497942 1 Ti Ti2 1 1.59919176 1.59919176 1.43917261 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaTi2V
P4/mmm
123
tetragonal
4/mmm
5,850.116094
false
[CIF] data_BaMnIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90843512 _cell_length_b 3.27014040 _cell_length_c 7.85975991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnIr2 _chemical_formula_sum 'Ba1 Mn1 Ir2' _cell_volume 74.75410723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.92987996 1 Ir Ir1 1 1.45421756 1.63507020 6.51017924 1 Ir Ir2 1 1.45421756 1.63507020 1.34958067 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaIr2Mn
Pmmm
47
orthorhombic
mmm
12,810.417104
false
[CIF] data_LaNbSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63220015 _cell_length_b 3.63220015 _cell_length_c 7.45400432 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbSn2 _chemical_formula_sum 'La1 Nb1 Sn2' _cell_volume 98.33976908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 3.72700216 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.81610008 1.81610008 1.50974350 1 Sn Sn3 1 1.81610008 1.81610008 5.94426082 1 [/CIF]
LaNbSn2
P4/mmm
123
tetragonal
4/mmm
7,923.323651
false
[CIF] data_GaMoCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21123229 _cell_length_b 5.21123229 _cell_length_c 6.95860047 _cell_angle_alpha 111.71252826 _cell_angle_beta 111.71252826 _cell_angle_gamma 34.59944067 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaMoCl2 _chemical_formula_sum 'Ga1 Mo1 Cl2' _cell_volume 98.92344967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.47639315 0.00000000 5.91477193 1 Cl Cl1 1 6.46888616 0.00000000 2.11042860 1 Ga Ga2 1 3.96168294 0.00000000 3.99776317 1 Mo Mo3 1 1.22970570 -0.00000000 4.01450038 1 [/CIF]
Cl2GaMo
Cm
8
monoclinic
m
3,971.406967
false
[CIF] data_BaOs2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95966763 _cell_length_b 4.74206083 _cell_length_c 5.34504163 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaOs2Ru _chemical_formula_sum 'Ba1 Os2 Ru1' _cell_volume 75.01725272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47983382 2.37103041 0.00000000 1 Os Os1 1 1.47983382 0.00000000 2.67252081 1 Os Os2 1 0.00000000 2.37103041 2.67252081 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaOs2Ru
Pmmm
47
orthorhombic
mmm
13,698.665145
false
[CIF] data_PtPb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87739865 _cell_length_b 4.87739865 _cell_length_c 4.87739865 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PtPb2W _chemical_formula_sum 'Pt1 Pb2 W1' _cell_volume 82.04455492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 1.72442083 1.72442083 1.72442083 1 Pb Pb1 1 5.17326249 5.17326249 5.17326249 1 Pt Pt2 1 3.44884166 3.44884166 3.44884166 1 W W3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Pb2PtW
Fm-3m
225
cubic
m-3m
16,056.464634
false
[CIF] data_Cu2AgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97048185 _cell_length_b 4.97048185 _cell_length_c 4.97048185 _cell_angle_alpha 131.09887445 _cell_angle_beta 131.09887445 _cell_angle_gamma 71.65603533 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2AgPb _chemical_formula_sum 'Cu2 Ag1 Pb1' _cell_volume 68.22833238 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 2.05732188 -0.00000000 2.01497787 1 Cu Cu2 1 0.00000000 2.05732188 2.01497786 1 Pb Pb3 1 0.00000000 -0.00000000 4.02995573 1 [/CIF]
AgCu2Pb
I4/mmm
139
tetragonal
4/mmm
10,761.281423
false
[CIF] data_H4AuI3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77660970 _cell_length_b 8.83930225 _cell_length_c 14.55376134 _cell_angle_alpha 88.28259776 _cell_angle_beta 81.43993574 _cell_angle_gamma 87.37268399 _symmetry_Int_Tables_number 1 _chemical_formula_structural H4AuI3N _chemical_formula_sum 'H16 Au4 I12 N4' _cell_volume 987.96711166 _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 I I0 1 3.82490403 0.80318794 1.49307816 1 I I1 1 6.26457387 0.68638794 12.39828611 1 I I2 1 1.61763417 7.46040403 5.64859335 1 I I3 1 1.69236420 2.40377520 8.45036081 1 I I4 1 2.10307412 5.32786122 1.34170065 1 I I5 1 8.73823332 4.63266433 13.05407640 1 I I6 1 3.97681256 3.21849877 5.66609078 1 I I7 1 7.34648067 6.64529645 8.51809227 1 I I8 1 8.10049339 1.02511275 2.82483123 1 I I9 1 2.21743710 0.34484737 11.60369772 1 I I10 1 5.22749647 7.55084538 4.51582112 1 I I11 1 5.76910596 2.48152444 9.12801681 1 Au Au12 1 3.03213180 4.25265127 3.50094079 1 Au Au13 1 8.00946753 5.63767097 10.79326905 1 Au Au14 1 2.95492725 8.59765920 3.61822760 1 Au Au15 1 7.86756251 1.43419962 10.38342729 1 N N16 1 6.86934553 7.46357064 0.44372265 1 N N17 1 4.16100921 8.32735646 8.09653790 1 N N18 1 7.60251749 3.52111143 5.48740959 1 N N19 1 4.91985909 4.18650065 12.55989666 1 H H20 1 7.56780732 7.42164757 1.20181994 1 H H21 1 9.42321499 8.33404500 14.02771748 1 H H22 1 6.01331510 7.95528074 0.79220756 1 H H23 1 6.64617554 6.50316453 0.10569148 1 H H24 1 4.15994845 7.70926140 8.91580744 1 H H25 1 5.10418227 8.73339295 8.00323858 1 H H26 1 3.06823375 0.27140787 8.23803860 1 H H27 1 3.90677441 7.80026044 7.23954870 1 H H28 1 7.98873520 3.18808866 6.39802389 1 H H29 1 8.04877720 4.41924788 5.24561380 1 H H30 1 6.56464109 3.62680982 5.56441789 1 H H31 1 7.81723513 2.81612630 4.74613634 1 H H32 1 4.81271443 4.45170348 13.57296196 1 H H33 1 5.76335285 4.65087318 12.16962288 1 H H34 1 4.06939379 4.47987117 12.05773615 1 H H35 1 5.04814197 3.15703068 12.46575019 1 [/CIF]
Au4H16I12N4
P1
1
triclinic
1
4,005.047249
false
[CIF] data_Os2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25741566 _cell_length_b 5.25741566 _cell_length_c 16.66335306 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Os2Au _chemical_formula_sum 'Os16 Au8' _cell_volume 398.87577104 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45704259 1 Au Au1 1 0.00000000 0.00000000 15.20631047 1 Au Au2 1 0.00000000 0.00000000 9.78871912 1 Au Au3 1 0.00000000 0.00000000 6.87463394 1 Au Au4 1 2.62870783 1.51768517 14.07508125 1 Au Au5 1 -0.00000000 3.03537035 2.58827181 1 Au Au6 1 0.00000000 3.03537035 5.74340472 1 Au Au7 1 2.62870783 1.51768517 10.91994834 1 Os Os8 1 2.62870783 1.51768517 2.24419523 1 Os Os9 1 -0.00000000 3.03537035 14.41915783 1 Os Os10 1 0.00000000 3.03537035 10.57587176 1 Os Os11 1 2.62870783 1.51768517 6.08748130 1 Os Os12 1 -1.31435392 2.27652776 0.00000000 1 Os Os13 1 1.31435392 2.27652776 0.00000000 1 Os Os14 1 2.62870783 0.00000000 0.00000000 1 Os Os15 1 -1.31435392 2.27652776 8.33167653 1 Os Os16 1 1.31435392 2.27652776 8.33167653 1 Os Os17 1 2.62870783 0.00000000 8.33167653 1 Os Os18 1 1.23238337 0.71151687 4.16583826 1 Os Os19 1 4.02503229 0.71151687 4.16583826 1 Os Os20 1 2.62870783 3.13002178 4.16583826 1 Os Os21 1 1.39632446 3.84153865 12.49751479 1 Os Os22 1 -1.39632446 3.84153865 12.49751479 1 Os Os23 1 -0.00000000 1.42303374 12.49751479 1 [/CIF]
Au8Os16
P6_3/mmc
194
hexagonal
6/mmm
19,230.837178
false
[CIF] data_Al2VSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46615486 _cell_length_b 5.46615486 _cell_length_c 6.54551293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2VSi3 _chemical_formula_sum 'Al4 V2 Si6' _cell_volume 169.37065975 _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 Al Al0 1 0.00000000 0.00000000 0.00000000 1 Al Al1 1 2.73307743 0.00000000 0.00000000 1 Al Al2 1 -1.36653871 2.36691448 0.00000000 1 Al Al3 1 1.36653871 2.36691448 0.00000000 1 Si Si4 1 -1.43373785 3.98365491 4.43588665 1 Si Si5 1 -0.00000000 1.50034812 4.43588665 1 Si Si6 1 1.43373785 3.98365491 4.43588665 1 Si Si7 1 4.16681528 0.75017406 2.10962628 1 Si Si8 1 1.29933958 0.75017406 2.10962628 1 Si Si9 1 2.73307743 3.23348085 2.10962628 1 V V10 1 -0.00000000 3.15588598 2.55229330 1 V V11 1 2.73307743 1.57794299 3.99321963 1 [/CIF]
Al4Si6V2
P-3m1
164
trigonal
-3m
3,709.091896
false
[CIF] data_AsPt3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03848287 _cell_length_b 5.03848287 _cell_length_c 5.03848287 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsPt3Pb _chemical_formula_sum 'As1 Pt3 Pb1' _cell_volume 127.90848621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.51924144 2.51924144 2.51924144 1 As As1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 2.51924144 0.00000000 2.51924144 1 Pt Pt3 1 2.51924144 2.51924144 0.00000000 1 Pt Pt4 1 0.00000000 2.51924144 2.51924144 1 [/CIF]
AsPbPt3
Pm-3m
221
cubic
m-3m
11,260.454961
false