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_BaBeZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10119436 _cell_length_b 5.10119436 _cell_length_c 5.10119436 _cell_angle_alpha 126.78333477 _cell_angle_beta 117.80822889 _cell_angle_gamma 86.25567175 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeZn2 _chemical_formula_sum 'Ba1 Be1 Zn2' _cell_volume 89.64263551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28476946 -0.00000000 3.66907227 1 Be Be1 1 0.00000000 0.00000000 1.57394743 1 Zn Zn2 1 2.28476946 0.00000000 0.05913690 1 Zn Zn3 1 -0.00000000 0.00000000 5.86686101 1 [/CIF]
BaBeZn2
Imm2
44
orthorhombic
mm2
5,132.981805
false
[CIF] data_TaCd2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12909718 _cell_length_b 3.12909718 _cell_length_c 10.17196774 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.88081388 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCd2Te _chemical_formula_sum 'Ta1 Cd2 Te1' _cell_volume 95.79497925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88573588 0.00000000 9.86809739 1 Cd Cd1 1 0.00000000 0.00000000 7.37654205 1 Ta Ta2 1 1.88573588 0.00000000 5.12826416 1 Te Te3 1 0.00000000 0.00000000 3.05701564 1 [/CIF]
Cd2TaTe
Cmm2
35
orthorhombic
mm2
9,245.59439
false
[CIF] data_Ti2SnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.02409288 _cell_length_b 9.02409288 _cell_length_c 9.02409288 _cell_angle_alpha 20.41086026 _cell_angle_beta 20.41086026 _cell_angle_gamma 20.41086026 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2SnBr _chemical_formula_sum 'Ti2 Sn1 Br1' _cell_volume 78.22333628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 -0.00000000 -0.00000000 13.24982654 1 Ti Ti2 1 0.00000000 0.00000000 19.75324182 1 Ti Ti3 1 0.00000000 0.00000000 6.74641127 1 [/CIF]
BrSnTi2
R-3m
166
trigonal
-3m
6,248.472331
false
[CIF] data_Be3RhCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30722707 _cell_length_b 4.30722707 _cell_length_c 4.30722707 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be3RhCl _chemical_formula_sum 'Be3 Rh1 Cl1' _cell_volume 79.90855972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15361353 0.00000000 2.15361353 1 Be Be1 1 2.15361353 2.15361353 0.00000000 1 Be Be2 1 0.00000000 2.15361353 2.15361353 1 Rh Rh3 1 2.15361353 2.15361353 2.15361353 1 Cl Cl4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be3ClRh
Pm-3m
221
cubic
m-3m
3,436.990183
false
[CIF] data_HgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53636127 _cell_length_b 5.53636127 _cell_length_c 6.98503501 _cell_angle_alpha 107.10637446 _cell_angle_beta 107.10637446 _cell_angle_gamma 31.15399395 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgRh _chemical_formula_sum 'Hg3 Rh3' _cell_volume 105.47224477 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.23830786 0.00000000 0.07381441 1 Hg Hg1 1 3.38743142 -0.00000000 1.77551244 1 Hg Hg2 1 2.15798517 0.00000000 4.44946248 1 Rh Rh3 1 6.20680635 0.00000000 2.36876797 1 Rh Rh4 1 -0.68171144 0.00000000 4.04407969 1 Rh Rh5 1 5.75749667 0.00000000 6.13400515 1 [/CIF]
Hg3Rh3
Cm
8
monoclinic
m
14,334.561724
false
[CIF] data_Sn2HgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90282368 _cell_length_b 3.90282368 _cell_length_c 7.37751655 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2HgTe _chemical_formula_sum 'Sn2 Hg1 Te1' _cell_volume 112.37457317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.68875828 1 Sn Sn1 1 1.95141184 1.95141184 5.59178402 1 Sn Sn2 1 1.95141184 1.95141184 1.78573253 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgSn2Te
P4/mmm
123
tetragonal
4/mmm
8,357.918299
false
[CIF] data_Li2TiCoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16098718 _cell_length_b 2.97364457 _cell_length_c 5.16938200 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.51447536 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiCoO4 _chemical_formula_sum 'Li2 Ti1 Co1 O4' _cell_volume 74.77701872 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 -0.86340311 1.48682229 2.43621893 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 2.58049359 1.48682229 0.00000000 1 Co Co3 1 1.71709048 0.00000000 2.43621893 1 O O4 1 2.43241050 1.48682229 3.70745258 1 O O5 1 1.00177046 1.48682229 1.16498527 1 O O6 1 3.39061276 0.00000000 1.08715782 1 O O7 1 0.04356821 0.00000000 3.78528003 1 [/CIF]
Co2Li4O8Ti2
P2/m
10
monoclinic
2/m
4,101.099772
false
[CIF] data_K2LiGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53614742 _cell_length_b 6.53614742 _cell_length_c 6.53614742 _cell_angle_alpha 133.89461705 _cell_angle_beta 131.39824295 _cell_angle_gamma 69.22965984 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LiGa _chemical_formula_sum 'K2 Li1 Ga1' _cell_volume 148.12801316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.37917982 1 K K1 1 -0.00000000 2.68980985 2.63115857 1 K K2 1 2.55940824 -0.00000000 2.74802125 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaK2Li
Immm
71
orthorhombic
mmm
1,736.018432
false
[CIF] data_NbRuPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89916734 _cell_length_b 4.89916734 _cell_length_c 2.79888753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.84654311 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRuPt2 _chemical_formula_sum 'Nb1 Ru1 Pt2' _cell_volume 62.35395435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 1.37250815 2.02896071 1.39944376 1 Pt Pt2 1 1.37250815 -2.02896070 1.39944376 1 Ru Ru3 1 2.74501629 -0.00000000 0.00000000 1 [/CIF]
NbPt2Ru
Cmmm
65
orthorhombic
mmm
15,556.26381
false
[CIF] data_NaMn2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68266457 _cell_length_b 4.68266457 _cell_length_c 4.68266457 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMn2Ag _chemical_formula_sum 'Na1 Mn2 Ag1' _cell_volume 72.60460211 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31114387 3.31114387 3.31114387 1 Mn Mn1 1 4.96671580 4.96671580 4.96671580 1 Mn Mn2 1 1.65557193 1.65557193 1.65557194 1 Na Na3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
AgMn2Na
Fm-3m
225
cubic
m-3m
5,505.826056
false
[CIF] data_ReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24558577 _cell_length_b 5.24558577 _cell_length_c 5.24558577 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSn _chemical_formula_sum 'Re4 Sn4' _cell_volume 144.33843017 _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 Re Re0 1 0.58207747 3.20487036 4.66350830 1 Re Re1 1 2.04071541 2.04071541 2.04071541 1 Re Re2 1 4.66350830 0.58207747 3.20487036 1 Re Re3 1 3.20487036 4.66350830 0.58207747 1 Sn Sn4 1 2.12879320 4.75158609 3.11679257 1 Sn Sn5 1 0.49399968 0.49399968 0.49399968 1 Sn Sn6 1 3.11679257 2.12879320 4.75158609 1 Sn Sn7 1 4.75158609 3.11679257 2.12879320 1 [/CIF]
Re4Sn4
P2_13
198
cubic
23
14,031.650198
false
[CIF] data_YTi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43355412 _cell_length_b 3.43355412 _cell_length_c 7.61366284 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTi2Br _chemical_formula_sum 'Y1 Ti2 Br1' _cell_volume 89.75970884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.90842575 1 Ti Ti1 1 1.71677706 1.71677706 0.32277728 1 Ti Ti2 1 0.00000000 0.00000000 1.59335591 1 Y Y3 1 1.71677706 1.71677706 3.59593532 1 [/CIF]
BrTi2Y
P4mm
99
tetragonal
4mm
4,894.015404
false
[CIF] data_CoHgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42508050 _cell_length_b 4.42508050 _cell_length_c 4.42508050 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoHgOs2 _chemical_formula_sum 'Co1 Hg1 Os2' _cell_volume 61.27009161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 4.69350665 4.69350665 4.69350664 1 Os Os2 1 3.12900443 3.12900443 3.12900443 1 Os Os3 1 1.56450222 1.56450222 1.56450222 1 [/CIF]
CoHgOs2
F-43m
216
cubic
-43m
17,344.793671
false
[CIF] data_AlAsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23299302 _cell_length_b 4.23299302 _cell_length_c 4.23299302 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAsW _chemical_formula_sum 'Al1 As1 W1' _cell_volume 53.63245284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49658903 1.49658903 1.49658903 1 W W2 1 2.99317807 2.99317807 2.99317807 1 [/CIF]
AlAsW
F-43m
216
cubic
-43m
8,847.02488
false
[CIF] data_CrCo2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07017329 _cell_length_b 3.07017329 _cell_length_c 6.09975719 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCo2Br _chemical_formula_sum 'Cr1 Co2 Br1' _cell_volume 57.49609187 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.53508665 1.53508665 4.60795684 1 Co Co1 1 0.00000000 0.00000000 0.38509127 1 Co Co2 1 1.53508665 1.53508665 1.40340176 1 Cr Cr3 1 0.00000000 0.00000000 2.75318586 1 [/CIF]
BrCo2Cr
P4mm
99
tetragonal
4mm
7,213.481833
false
[CIF] data_Na2SiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30861592 _cell_length_b 5.30861592 _cell_length_c 5.30861592 _cell_angle_alpha 139.62570367 _cell_angle_beta 139.62570367 _cell_angle_gamma 58.42205750 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2SiB _chemical_formula_sum 'Na2 Si1 B1' _cell_volume 62.20016855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 1.83193795 0.00000000 2.31675472 1 Na Na2 1 0.00000000 1.83193795 2.31675472 1 Si Si3 1 0.00000000 -0.00000000 4.63350943 1 [/CIF]
BNa2Si
I4/mmm
139
tetragonal
4/mmm
2,265.909902
false
[CIF] data_GaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93089451 _cell_length_b 2.93089451 _cell_length_c 3.90202884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRu _chemical_formula_sum 'Ga1 Ru1' _cell_volume 29.02829182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 -0.00000000 1.69215273 1.95101442 1 [/CIF]
GaRu
P-6m2
187
hexagonal
-6m2
9,770.070212
false
[CIF] data_TiAlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29990109 _cell_length_b 7.29990109 _cell_length_c 2.76693202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlNi _chemical_formula_sum 'Ti3 Al3 Ni3' _cell_volume 127.69181845 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.38814333 0.00000000 0.00000000 1 Al Al1 1 -1.19407167 2.06819279 0.00000000 1 Al Al2 1 2.45587888 4.25370699 0.00000000 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 Ni Ni4 1 0.00000000 4.21459986 0.00000000 1 Ni Ni5 1 3.64995054 2.10729993 0.00000000 1 Ti Ti6 1 4.80762554 0.00000000 1.38346601 1 Ti Ti7 1 -2.40381277 4.16352585 1.38346601 1 Ti Ti8 1 1.24613777 2.15837394 1.38346601 1 [/CIF]
Al3Ni3Ti3
P-62m
189
hexagonal
-6m2
5,209.826899
false
[CIF] data_TcAs4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34485880 _cell_length_b 5.34485880 _cell_length_c 5.34485880 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAs4Pd _chemical_formula_sum 'Tc1 As4 Pd1' _cell_volume 107.96766551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72623734 4.72623734 2.83253446 1 As As1 1 4.72623734 2.83253446 4.72623734 1 As As2 1 2.83253446 4.72623734 4.72623734 1 As As3 1 2.83253446 2.83253446 2.83253446 1 Pd Pd4 1 5.66907885 5.66907885 5.66907885 1 Tc Tc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As4PdTc
F-43m
216
cubic
-43m
7,767.076814
false
[CIF] data_VCoIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60818917 _cell_length_b 4.60818917 _cell_length_c 4.54502738 _cell_angle_alpha 100.16131453 _cell_angle_beta 100.16131453 _cell_angle_gamma 34.11819431 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCoIr2 _chemical_formula_sum 'V1 Co1 Ir2' _cell_volume 53.20595854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.57054902 -0.00000000 3.34798881 1 Ir Ir1 1 7.96775896 -0.00000000 4.40725129 1 Ir Ir2 1 6.39594581 -0.00000000 1.13924724 1 V V3 1 3.99611039 -0.00000000 2.27293028 1 [/CIF]
CoIr2V
Cm
8
monoclinic
m
15,427.198788
false
[CIF] data_YMgCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71909110 _cell_length_b 4.71909110 _cell_length_c 3.36363885 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMgCu2 _chemical_formula_sum 'Y1 Mg1 Cu2' _cell_volume 74.90763446 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35954555 0.00000000 1.68181943 1 Cu Cu1 1 0.00000000 2.35954555 1.68181943 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 2.35954555 2.35954555 0.00000000 1 [/CIF]
Cu2MgY
P4/mmm
123
tetragonal
4/mmm
5,326.990675
false
[CIF] data_LaBeRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11767800 _cell_length_b 3.11767800 _cell_length_c 7.19595869 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeRe2 _chemical_formula_sum 'La1 Be1 Re2' _cell_volume 69.94411481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.59797935 1 Re Re2 1 1.55883900 1.55883900 6.03493372 1 Re Re3 1 1.55883900 1.55883900 1.16102497 1 [/CIF]
BeLaRe2
P4/mmm
123
tetragonal
4/mmm
12,353.16278
false
[CIF] data_Sr2BSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57311103 _cell_length_b 4.57311103 _cell_length_c 6.48184910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2BSb _chemical_formula_sum 'Sr2 B1 Sb1' _cell_volume 135.55714318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 2.28655551 2.28655551 3.24092455 1 Sr Sr2 1 0.00000000 0.00000000 3.24092455 1 Sr Sr3 1 2.28655551 2.28655551 0.00000000 1 [/CIF]
BSbSr2
P4/mmm
123
tetragonal
4/mmm
3,770.603147
false
[CIF] data_SrCaLaBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66881397 _cell_length_b 5.66881397 _cell_length_c 5.66881397 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaLaBe _chemical_formula_sum 'Sr1 Ca1 La1 Be1' _cell_volume 128.81357043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.00845680 4.00845680 4.00845680 1 La La2 1 2.00422840 2.00422840 2.00422840 1 Sr Sr3 1 6.01268520 6.01268520 6.01268520 1 [/CIF]
BeCaLaSr
F-43m
216
cubic
-43m
3,552.968495
false
[CIF] data_NaSr2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75168386 _cell_length_b 5.75168386 _cell_length_c 4.40646061 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSr2Te _chemical_formula_sum 'Na1 Sr2 Te1' _cell_volume 145.77394458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 0.00000000 2.87584193 2.20323030 1 Sr Sr2 1 2.87584193 0.00000000 2.20323030 1 Te Te3 1 2.87584193 2.87584193 0.00000000 1 [/CIF]
NaSr2Te
P4/mmm
123
tetragonal
4/mmm
3,711.590195
false
[CIF] data_Ta2CdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31916172 _cell_length_b 5.31916172 _cell_length_c 5.20542981 _cell_angle_alpha 99.64712024 _cell_angle_beta 99.64712024 _cell_angle_gamma 32.95801735 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2CdIn _chemical_formula_sum 'Ta2 Cd1 In1' _cell_volume 78.89077157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 4.64582516 0.00000000 2.56266282 1 Ta Ta2 1 1.85171944 0.00000000 3.85926831 1 Ta Ta3 1 7.43993088 -0.00000000 1.26605732 1 [/CIF]
CdInTa2
C2/m
12
monoclinic
2/m
12,400.242254
false
[CIF] data_NaGe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05445330 _cell_length_b 9.05445330 _cell_length_c 9.05445330 _cell_angle_alpha 19.99885608 _cell_angle_beta 19.99885608 _cell_angle_gamma 19.99885608 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGe2Pd _chemical_formula_sum 'Na1 Ge2 Pd1' _cell_volume 75.95544214 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.34612074 1 Ge Ge1 1 -0.00000000 0.00000000 20.26565026 1 Na Na2 1 -0.00000000 -0.00000000 -0.00000000 1 Pd Pd3 1 -0.00000000 -0.00000000 13.30588550 1 [/CIF]
Ge2NaPd
R-3m
166
trigonal
-3m
6,005.272038
false
[CIF] data_V2SbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74844962 _cell_length_b 4.74844962 _cell_length_c 4.74844962 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2SbCl _chemical_formula_sum 'V2 Sb1 Cl1' _cell_volume 75.70777909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 3.35766093 3.35766093 3.35766093 1 V V2 1 5.03649139 5.03649139 5.03649139 1 V V3 1 1.67883046 1.67883046 1.67883046 1 [/CIF]
ClSbV2
Fm-3m
225
cubic
m-3m
5,682.89385
false
[CIF] data_Ca2TlIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34235938 _cell_length_b 6.34235938 _cell_length_c 5.71435105 _cell_angle_alpha 106.64646603 _cell_angle_beta 106.64646603 _cell_angle_gamma 33.49633160 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TlIn _chemical_formula_sum 'Ca2 Tl1 In1' _cell_volume 121.04796786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.13444408 -0.00000000 0.29247757 1 Ca Ca1 1 1.61270740 -0.00000000 3.79363858 1 In In2 1 4.91582803 -0.00000000 2.92554024 1 Tl Tl3 1 8.99276217 -0.00000000 1.16733187 1 [/CIF]
Ca2InTl
Cm
8
monoclinic
m
5,478.393482
false
[CIF] data_TlSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62833874 _cell_length_b 4.23753148 _cell_length_c 7.54171067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSn3 _chemical_formula_sum 'Tl1 Sn3' _cell_volume 115.95530711 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 1.81416937 2.11876574 1.66148147 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.81416937 2.11876574 5.88022920 1 Tl Tl3 1 0.00000000 0.00000000 3.77085533 1 [/CIF]
Sn3Tl
Pmmm
47
orthorhombic
mmm
8,026.835987
false
[CIF] data_Mg2TlRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24748967 _cell_length_b 3.29453863 _cell_length_c 7.10119239 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.27289987 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TlRh _chemical_formula_sum 'Mg2 Tl1 Rh1' _cell_volume 75.91574391 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.37247041 1.64726931 5.68741145 1 Mg Mg1 1 1.59339178 1.64726931 1.40819418 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 -0.14081374 0.00000000 3.54780282 1 [/CIF]
Mg2RhTl
P2/m
10
monoclinic
2/m
7,784.733847
false
[CIF] data_Sr2AlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44293314 _cell_length_b 5.44293314 _cell_length_c 5.44293314 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AlZn _chemical_formula_sum 'Sr2 Al1 Zn1' _cell_volume 114.02077796 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 3.84873493 3.84873493 3.84873493 1 Sr Sr2 1 5.77310240 5.77310240 5.77310240 1 Zn Zn3 1 1.92436747 1.92436747 1.92436746 1 [/CIF]
AlSr2Zn
F-43m
216
cubic
-43m
3,897.209062
false
[CIF] data_YGaTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39671572 _cell_length_b 6.13865624 _cell_length_c 6.13865624 _cell_angle_alpha 40.44983505 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGaTe2 _chemical_formula_sum 'Y1 Ga1 Te2' _cell_volume 107.49142684 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07743081 1 Te Te1 1 0.00000000 0.00000000 0.36037416 1 Te Te2 1 2.19835786 0.00000000 8.61299108 1 Y Y3 1 2.19835786 0.00000000 5.22969500 1 [/CIF]
GaTe2Y
Amm2
38
orthorhombic
mm2
6,392.872374
false
[CIF] data_LaTlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91489410 _cell_length_b 4.91489410 _cell_length_c 4.91489410 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlPt _chemical_formula_sum 'La1 Tl1 Pt1' _cell_volume 83.95131384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 1.73767748 1.73767748 1.73767747 1 Tl Tl2 1 3.47535495 3.47535495 3.47535495 1 [/CIF]
LaPtTl
F-43m
216
cubic
-43m
10,648.898464
false
[CIF] data_Sr3BiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87548122 _cell_length_b 5.87548122 _cell_length_c 5.87548122 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3BiAs _chemical_formula_sum 'Sr3 Bi1 As1' _cell_volume 202.82912978 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 2.93774061 0.00000000 1 Sr Sr1 1 0.00000000 0.00000000 2.93774061 1 Sr Sr2 1 2.93774061 0.00000000 0.00000000 1 As As3 1 0.00000000 0.00000000 0.00000000 1 Bi Bi4 1 2.93774061 2.93774061 2.93774061 1 [/CIF]
AsBiSr3
Pm-3m
221
cubic
m-3m
4,476.278442
false
[CIF] data_Cr2CuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43387468 _cell_length_b 4.43387468 _cell_length_c 4.43387468 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2CuSn _chemical_formula_sum 'Cr2 Cu1 Sn1' _cell_volume 61.63611330 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56761143 1.56761143 1.56761143 1 Cr Cr1 1 4.70283428 4.70283428 4.70283428 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.13522285 3.13522285 3.13522285 1 [/CIF]
Cr2CuSn
Fm-3m
225
cubic
m-3m
7,711.815256
false
[CIF] data_BeV4Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00684774 _cell_length_b 5.00684774 _cell_length_c 5.00684774 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeV4Br _chemical_formula_sum 'Be1 V4 Br1' _cell_volume 88.75200154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 1.77018799 1.77018799 1.77018799 1 V V2 1 2.62917779 2.62917779 4.45157419 1 V V3 1 2.62917779 4.45157419 2.62917779 1 V V4 1 4.45157419 2.62917779 2.62917779 1 V V5 1 4.45157419 4.45157419 4.45157419 1 [/CIF]
BeBrV4
F-43m
216
cubic
-43m
5,476.047738
false
[CIF] data_SrBi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69109268 _cell_length_b 6.69109268 _cell_length_c 6.69109268 _cell_angle_alpha 125.58195928 _cell_angle_beta 125.58195928 _cell_angle_gamma 80.57631140 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBi4 _chemical_formula_sum 'Sr1 Bi4' _cell_volume 191.09419485 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.05942148 0.00000000 2.55198951 1 Bi Bi1 1 -0.00000000 3.05942148 2.55198951 1 Bi Bi2 1 -0.00000000 0.00000000 6.67392324 1 Bi Bi3 1 -0.00000000 0.00000000 3.53403478 1 Sr Sr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi4Sr
I4/mmm
139
tetragonal
4/mmm
8,025.240681
false
[CIF] data_Ag2HgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37833313 _cell_length_b 4.48320213 _cell_length_c 4.61449453 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2HgBi _chemical_formula_sum 'Ag2 Hg1 Bi1' _cell_volume 90.57769355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ag Ag1 1 0.00000000 2.24160106 2.30724726 1 Bi Bi2 1 2.18916656 2.24160106 0.00000000 1 Hg Hg3 1 2.18916656 0.00000000 2.30724726 1 [/CIF]
Ag2BiHg
Pmmm
47
orthorhombic
mmm
11,463.599142
false
[CIF] data_SnSb2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19978857 _cell_length_b 3.19978857 _cell_length_c 9.25389122 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnSb2Ir _chemical_formula_sum 'Sn1 Sb2 Ir1' _cell_volume 94.74732459 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59989429 1.59989429 7.00543098 1 Sb Sb1 1 0.00000000 0.00000000 8.63156278 1 Sb Sb2 1 1.59989429 1.59989429 2.37987567 1 Sn Sn3 1 0.00000000 0.00000000 5.11785852 1 [/CIF]
IrSb2Sn
P4mm
99
tetragonal
4mm
9,717.223234
false
[CIF] data_Zn2HgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20081233 _cell_length_b 4.43447424 _cell_length_c 4.71259125 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2HgW _chemical_formula_sum 'Zn2 Hg1 W1' _cell_volume 66.89014237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.21723712 2.35629563 1 W W1 1 1.60040617 2.21723712 0.00000000 1 Zn Zn2 1 1.60040617 0.00000000 2.35629563 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgWZn2
Pmmm
47
orthorhombic
mmm
12,789.524606
false
[CIF] data_ZrTaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65357516 _cell_length_b 5.65357516 _cell_length_c 5.65357516 _cell_angle_alpha 146.36801579 _cell_angle_beta 146.36801579 _cell_angle_gamma 48.30045829 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaIr _chemical_formula_sum 'Zr1 Ta1 Ir1' _cell_volume 55.20071612 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.22131347 1 Ta Ta1 1 0.00000000 -0.00000000 3.58476726 1 Zr Zr2 1 0.00000000 -0.00000000 6.82892263 1 [/CIF]
IrTaZr
I4mm
107
tetragonal
4mm
13,969.671619
false
[CIF] data_MnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23531710 _cell_length_b 2.67127387 _cell_length_c 4.66810112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPt _chemical_formula_sum 'Mn2 Pt2' _cell_volume 52.81345770 _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 Mn Mn0 1 3.17648782 0.00000000 3.04534210 1 Mn Mn1 1 1.05882927 0.00000000 1.62275901 1 Pt Pt2 1 1.05882927 1.33563693 3.84697438 1 Pt Pt3 1 3.17648782 1.33563693 0.82112674 1 [/CIF]
Mn2Pt2
Pmma
51
orthorhombic
mmm
15,722.302505
false
[CIF] data_FeAs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12336128 _cell_length_b 3.12336128 _cell_length_c 6.20325696 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAs2Pt _chemical_formula_sum 'Fe1 As2 Pt1' _cell_volume 60.51516396 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56168064 1.56168064 4.78890532 1 As As1 1 1.56168064 1.56168064 1.41435164 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 3.10162848 1 [/CIF]
As2FePt
P4/mmm
123
tetragonal
4/mmm
10,997.376208
false
[CIF] data_ScVSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71224258 _cell_length_b 4.71224258 _cell_length_c 4.71224258 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScVSb _chemical_formula_sum 'Sc1 V1 Sb1' _cell_volume 73.98912968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66602934 1.66602934 1.66602934 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 4.99808802 4.99808802 4.99808802 1 [/CIF]
SbScV
F-43m
216
cubic
-43m
4,884.888325
false
[CIF] data_NaFeAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37552623 _cell_length_b 4.37552623 _cell_length_c 4.37552623 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFeAgRu _chemical_formula_sum 'Na1 Fe1 Ag1 Ru1' _cell_volume 59.23465697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.64094640 4.64094640 4.64094640 1 Fe Fe1 1 3.09396427 3.09396427 3.09396427 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 1.54698213 1.54698213 1.54698213 1 [/CIF]
AgFeNaRu
F-43m
216
cubic
-43m
8,067.207312
false
[CIF] data_Sn5Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68012589 _cell_length_b 8.98455852 _cell_length_c 8.98455852 _cell_angle_alpha 21.90130897 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn5Bi _chemical_formula_sum 'Sn5 Bi1' _cell_volume 171.02938404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.84006295 -0.00000000 17.63829523 1 Sn Sn1 1 2.84006295 -0.00000000 5.84981478 1 Sn Sn2 1 2.84006295 -0.00000000 11.80097393 1 Sn Sn3 1 0.00000000 -0.00000000 7.81936192 1 Sn Sn4 1 0.00000000 -0.00000000 13.73455219 1 Sn Sn5 1 0.00000000 -0.00000000 1.97498261 1 [/CIF]
BiSn5
Amm2
38
orthorhombic
mm2
7,791.836992
false
[CIF] data_SrHf4Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08727032 _cell_length_b 6.08727032 _cell_length_c 6.08727032 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHf4Sb _chemical_formula_sum 'Sr1 Hf4 Sb1' _cell_volume 159.49709070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.39070984 5.39070984 3.21799040 1 Hf Hf1 1 5.39070984 3.21799040 5.39070984 1 Hf Hf2 1 3.21799040 5.39070984 5.39070984 1 Hf Hf3 1 3.21799040 3.21799040 3.21799040 1 Sb Sb4 1 6.45652518 6.45652518 6.45652518 1 Sr Sr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf4SbSr
F-43m
216
cubic
-43m
9,612.978738
false
[CIF] data_Cd2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51933872 _cell_length_b 5.51933872 _cell_length_c 5.51933872 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2C _chemical_formula_sum 'Cd4 C2' _cell_volume 118.89022405 _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 0.00000000 0.00000000 1 C C1 1 1.95138092 1.95138092 1.95138092 1 Cd Cd2 1 2.92707138 2.92707138 4.87845230 1 Cd Cd3 1 4.87845230 2.92707138 2.92707138 1 Cd Cd4 1 2.92707138 4.87845230 2.92707138 1 Cd Cd5 1 4.87845230 4.87845230 4.87845230 1 [/CIF]
C2Cd4
Fd-3m
227
cubic
m-3m
6,615.681882
false
[CIF] data_MgGe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60354987 _cell_length_b 4.60354987 _cell_length_c 4.60354987 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGe2Mo _chemical_formula_sum 'Mg1 Ge2 Mo1' _cell_volume 68.98641212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25520133 3.25520133 3.25520133 1 Ge Ge1 1 4.88280199 4.88280199 4.88280200 1 Mg Mg2 1 -0.00000000 -0.00000000 0.00000000 1 Mo Mo3 1 1.62760066 1.62760066 1.62760067 1 [/CIF]
Ge2MgMo
F-43m
216
cubic
-43m
6,391.807211
false
[CIF] data_TiGaPdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41232929 _cell_length_b 4.41232929 _cell_length_c 4.41232929 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGaPdRh _chemical_formula_sum 'Ti1 Ga1 Pd1 Rh1' _cell_volume 60.74195279 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.67998194 4.67998194 4.67998194 1 Pd Pd1 1 1.55999398 1.55999398 1.55999398 1 Rh Rh2 1 3.11998796 3.11998796 3.11998796 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaPdRhTi
F-43m
216
cubic
-43m
8,937.084409
false
[CIF] data_Cu2Ag5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13481866 _cell_length_b 6.13481866 _cell_length_c 6.72035713 _cell_angle_alpha 111.41671403 _cell_angle_beta 111.41671403 _cell_angle_gamma 25.84193276 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2Ag5 _chemical_formula_sum 'Cu2 Ag5' _cell_volume 102.21937600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.40593380 0.00000000 1.78026609 1 Ag Ag1 1 0.62941911 0.00000000 2.67039914 1 Ag Ag2 1 8.81186760 -0.00000000 3.56053219 1 Ag Ag3 1 5.03535291 0.00000000 4.45066524 1 Ag Ag4 1 0.00000000 0.00000000 0.00000000 1 Cu Cu5 1 1.25883823 0.00000000 5.34079828 1 Cu Cu6 1 8.18244848 -0.00000000 0.89013305 1 [/CIF]
Ag5Cu2
C2/m
12
monoclinic
2/m
10,826.108269
false
[CIF] data_Rb3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28719783 _cell_length_b 8.91108833 _cell_length_c 11.94856352 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3C _chemical_formula_sum 'Rb6 C2' _cell_volume 456.47812398 _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 0.00000000 3.55843289 1 C C1 1 2.14359892 4.45554417 8.39013063 1 Rb Rb2 1 2.14359892 0.00000000 5.79585494 1 Rb Rb3 1 0.00000000 4.45554417 6.15270858 1 Rb Rb4 1 0.00000000 2.51399481 9.65223744 1 Rb Rb5 1 0.00000000 6.39709352 9.65223744 1 Rb Rb6 1 2.14359892 6.96953898 2.29632608 1 Rb Rb7 1 2.14359892 1.94154935 2.29632608 1 [/CIF]
C2Rb6
Pmmn
59
orthorhombic
mmm
1,952.830051
false
[CIF] data_Sr2FeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38797553 _cell_length_b 3.38797553 _cell_length_c 8.55177861 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2FeCo _chemical_formula_sum 'Sr2 Fe1 Co1' _cell_volume 98.16054910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.69398777 1.69398777 5.08660023 1 Fe Fe1 1 0.00000000 0.00000000 5.58969768 1 Sr Sr2 1 1.69398777 1.69398777 7.78273623 1 Sr Sr3 1 0.00000000 0.00000000 2.92041238 1 [/CIF]
CoFeSr2
P4mm
99
tetragonal
4mm
4,906.141834
false
[CIF] data_LaVCdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86068792 _cell_length_b 4.86068792 _cell_length_c 4.86068792 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaVCdRh _chemical_formula_sum 'La1 V1 Cd1 Rh1' _cell_volume 81.20414851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.43702539 3.43702539 3.43702539 1 La La1 1 1.71851270 1.71851270 1.71851269 1 Rh Rh2 1 5.15553809 5.15553809 5.15553809 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdLaRhV
F-43m
216
cubic
-43m
8,285.165015
false
[CIF] data_SrVCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.08022874 _cell_length_b 9.08022874 _cell_length_c 9.08022874 _cell_angle_alpha 19.39086024 _cell_angle_beta 19.39086024 _cell_angle_gamma 19.39086024 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrVCu2 _chemical_formula_sum 'Sr1 V1 Cu2' _cell_volume 72.15221548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.06052174 1 Cu Cu1 1 -0.00000000 0.00000000 19.62823169 1 Sr Sr2 1 0.00000000 0.00000000 13.28038404 1 V V3 1 0.00000000 -0.00000000 7.11184079 1 [/CIF]
Cu2SrV
R3m
160
trigonal
3m
6,113.85266
false
[CIF] data_Ca4NbNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35940349 _cell_length_b 6.35940349 _cell_length_c 6.35940349 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4NbNi _chemical_formula_sum 'Ca4 Nb1 Ni1' _cell_volume 181.85872594 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.62047726 5.62047726 3.37307740 1 Ca Ca1 1 5.62047726 3.37307740 5.62047726 1 Ca Ca2 1 3.37307740 5.62047726 5.62047726 1 Ca Ca3 1 3.37307740 3.37307740 3.37307740 1 Nb Nb4 1 6.74516600 6.74516600 6.74516599 1 Ni Ni5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca4NbNi
F-43m
216
cubic
-43m
2,848.044235
false
[CIF] data_KTe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55023711 _cell_length_b 5.55023711 _cell_length_c 5.55023711 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTe2Se _chemical_formula_sum 'K1 Te2 Se1' _cell_volume 120.89813839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 3.92461030 3.92461030 3.92461030 1 Te Te2 1 1.96230515 1.96230515 1.96230515 1 Te Te3 1 5.88691545 5.88691545 5.88691545 1 [/CIF]
KSeTe2
Fm-3m
225
cubic
m-3m
5,126.712432
false
[CIF] data_CuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17718734 _cell_length_b 5.17718734 _cell_length_c 5.17718734 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSn _chemical_formula_sum 'Cu3 Sn3' _cell_volume 138.76554366 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 2.58859367 0.00000000 2.58859367 1 Cu Cu1 1 2.58859367 2.58859367 0.00000000 1 Cu Cu2 1 0.00000000 2.58859367 2.58859367 1 Sn Sn3 1 0.00000000 2.58859367 0.00000000 1 Sn Sn4 1 0.00000000 0.00000000 2.58859367 1 Sn Sn5 1 2.58859367 0.00000000 0.00000000 1 [/CIF]
Cu3Sn3
Pm-3m
221
cubic
m-3m
6,542.903954
false
[CIF] data_FeRhCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55595850 _cell_length_b 4.55595850 _cell_length_c 4.55595850 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRhCl2 _chemical_formula_sum 'Fe1 Rh1 Cl2' _cell_volume 66.86891561 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 4.83232373 4.83232373 4.83232373 1 Fe Fe2 1 3.22154915 3.22154915 3.22154915 1 Rh Rh3 1 1.61077457 1.61077457 1.61077457 1 [/CIF]
Cl2FeRh
F-43m
216
cubic
-43m
5,703.002459
false
[CIF] data_Y2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66198364 _cell_length_b 7.66198364 _cell_length_c 4.24884116 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Os _chemical_formula_sum 'Y6 Os3' _cell_volume 216.01482987 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 -0.00000000 4.42364831 2.12442058 1 Os Os2 1 3.83099182 2.21182416 2.12442058 1 Y Y3 1 -0.98482548 1.70576777 2.12442058 1 Y Y4 1 -2.25862363 3.91205089 0.00000000 1 Y Y5 1 1.96965096 0.00000000 2.12442058 1 Y Y6 1 2.84616634 4.92970470 2.12442058 1 Y Y7 1 4.51724727 0.00000000 0.00000000 1 Y Y8 1 1.57236818 2.72342158 0.00000000 1 [/CIF]
Os3Y6
P-62m
189
hexagonal
-6m2
8,487.578669
false
[CIF] data_Cr3Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64788785 _cell_length_b 4.64788785 _cell_length_c 4.64788785 _cell_angle_alpha 131.76251039 _cell_angle_beta 131.76251039 _cell_angle_gamma 70.60437550 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3Hg _chemical_formula_sum 'Cr3 Hg1' _cell_volume 54.73146722 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89926213 0.00000000 1.89660672 1 Cr Cr1 1 0.00000000 1.89926214 1.89660671 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 0.00000000 0.00000000 3.79321343 1 [/CIF]
Cr3Hg
I4/mmm
139
tetragonal
4/mmm
10,818.496698
false
[CIF] data_CdNi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61955384 _cell_length_b 4.61955384 _cell_length_c 4.61955384 _cell_angle_alpha 128.26035421 _cell_angle_beta 128.26035421 _cell_angle_gamma 76.20364268 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdNi2Ag _chemical_formula_sum 'Cd1 Ni2 Ag1' _cell_volume 59.07642226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 0.00000000 -0.00000000 3.63519809 1 Ni Ni2 1 2.01564041 -0.00000000 1.81759905 1 Ni Ni3 1 0.00000000 2.01564041 1.81759905 1 [/CIF]
AgCdNi2
I4/mmm
139
tetragonal
4/mmm
9,491.280546
false
[CIF] data_K2AlP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90596120 _cell_length_b 6.88834801 _cell_length_c 6.88834801 _cell_angle_alpha 44.41653939 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AlP _chemical_formula_sum 'K2 Al1 P1' _cell_volume 129.71051629 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.38973686 1 K K1 1 1.95298060 -0.00000000 12.30392726 1 K K2 1 0.00000000 -0.00000000 3.45711425 1 P P3 1 1.95298060 -0.00000000 8.78675910 1 [/CIF]
AlK2P
Amm2
38
orthorhombic
mm2
1,743.001161
false
[CIF] data_Al2InGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86363649 _cell_length_b 4.86363649 _cell_length_c 4.86363649 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2InGa _chemical_formula_sum 'Al2 In1 Ga1' _cell_volume 81.35201705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.15866551 5.15866551 5.15866551 1 Ga Ga2 1 3.43911034 3.43911034 3.43911034 1 In In3 1 1.71955517 1.71955517 1.71955517 1 [/CIF]
Al2GaIn
F-43m
216
cubic
-43m
4,868.291557
false
[CIF] data_HgPbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21471800 _cell_length_b 4.21471800 _cell_length_c 4.21471800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgPbO3 _chemical_formula_sum 'Hg1 Pb1 O3' _cell_volume 74.86960915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 O O1 1 2.10735900 2.10735900 0.00000000 1 O O2 1 0.00000000 2.10735900 2.10735900 1 O O3 1 2.10735900 0.00000000 2.10735900 1 Pb Pb4 1 2.10735900 2.10735900 2.10735900 1 [/CIF]
HgO3Pb
Pm-3m
221
cubic
m-3m
10,108.963046
false
[CIF] data_LiReMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.58855690 _cell_length_b 4.34301386 _cell_length_c 5.34611482 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiReMo2 _chemical_formula_sum 'Li1 Re1 Mo2' _cell_volume 60.10176321 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 1.29427845 2.17150693 1.31679716 1 Mo Mo2 1 1.29427845 2.17150693 4.02931766 1 Re Re3 1 0.00000000 0.00000000 2.67305741 1 [/CIF]
LiMo2Re
Pmmm
47
orthorhombic
mmm
10,638.96337
false
[CIF] data_MgTiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09123942 _cell_length_b 5.09123942 _cell_length_c 5.09123942 _cell_angle_alpha 147.96350875 _cell_angle_beta 131.66053122 _cell_angle_gamma 59.17442072 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiMo _chemical_formula_sum 'Mg1 Ti1 Mo1' _cell_volume 51.86379108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 -0.00000000 -0.00000000 0.02103319 1 Mo Mo1 1 -0.00000000 -0.00000000 5.96764309 1 Ti Ti2 1 0.00000000 0.00000000 2.86605993 1 [/CIF]
MgMoTi
Imm2
44
orthorhombic
mm2
5,383.134332
false
[CIF] data_YbSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08319713 _cell_length_b 5.08319713 _cell_length_c 5.08319713 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbSb _chemical_formula_sum 'Yb1 Sb1' _cell_volume 92.87436528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Yb Yb1 1 5.39154474 5.39154474 5.39154474 1 [/CIF]
SbYb
F-43m
216
cubic
-43m
5,271.10105
false
[CIF] data_HfNbAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54164427 _cell_length_b 3.54164427 _cell_length_c 5.90494536 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNbAl2 _chemical_formula_sum 'Hf1 Nb1 Al2' _cell_volume 74.06717126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77082213 1.77082213 5.89917954 1 Al Al1 1 0.00000000 0.00000000 1.42198613 1 Hf Hf2 1 1.77082213 1.77082213 3.04152670 1 Nb Nb3 1 0.00000000 0.00000000 4.39967104 1 [/CIF]
Al2HfNb
P4mm
99
tetragonal
4mm
7,294.352953
false
[CIF] data_Tl2GaBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88633041 _cell_length_b 3.88633041 _cell_length_c 7.75451577 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2GaBr _chemical_formula_sum 'Tl2 Ga1 Br1' _cell_volume 117.12082565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.87725789 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.94316520 1.94316520 1.84464724 1 Tl Tl3 1 1.94316520 1.94316520 5.90986853 1 [/CIF]
BrGaTl2
P4/mmm
123
tetragonal
4/mmm
7,916.904463
false
[CIF] data_IrWAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93058395 _cell_length_b 4.93058395 _cell_length_c 4.93058395 _cell_angle_alpha 132.00920043 _cell_angle_beta 132.00920043 _cell_angle_gamma 70.21449619 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrWAu2 _chemical_formula_sum 'Ir1 W1 Au2' _cell_volume 64.86630794 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00508751 -0.00000000 2.01679859 1 Au Au1 1 0.00000000 -0.00000000 4.03359718 1 Ir Ir2 1 0.00000000 2.00508751 2.01679859 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2IrW
I-4m2
119
tetragonal
-42m
19,711.291511
false
[CIF] data_AgClO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32492128 _cell_length_b 4.32492128 _cell_length_c 4.32492128 _cell_angle_alpha 78.85145981 _cell_angle_beta 78.85145981 _cell_angle_gamma 78.85145981 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgClO3 _chemical_formula_sum 'Ag1 Cl1 O3' _cell_volume 76.84405762 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.20586197 1 Cl Cl1 1 0.00000000 -0.00000000 4.45901075 1 O O2 1 1.21374632 0.70075676 5.03158761 1 O O3 1 -1.21374632 0.70075676 5.03158761 1 O O4 1 -0.00000000 -1.40151353 5.03158761 1 [/CIF]
AgClO3
R3m
160
trigonal
3m
4,134.260285
false
[CIF] data_AlCd2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19178258 _cell_length_b 3.19178258 _cell_length_c 7.03074233 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCd2Ru _chemical_formula_sum 'Al1 Cd2 Ru1' _cell_volume 71.62551914 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.87315185 1 Cd Cd1 1 1.59589129 1.59589129 6.88450324 1 Cd Cd2 1 0.00000000 0.00000000 1.96843152 1 Ru Ru3 1 1.59589129 1.59589129 3.85076921 1 [/CIF]
AlCd2Ru
P4mm
99
tetragonal
4mm
8,180.887553
false
[CIF] data_TlNi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96237229 _cell_length_b 5.96237229 _cell_length_c 5.96237229 _cell_angle_alpha 39.66226416 _cell_angle_beta 39.66226416 _cell_angle_gamma 39.66226416 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNi2Se _chemical_formula_sum 'Tl1 Ni2 Se1' _cell_volume 77.75185882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.03283782 1 Ni Ni1 1 0.00000000 -0.00000000 11.42473600 1 Se Se2 1 -0.00000000 -0.00000000 -0.00000000 1 Tl Tl3 1 -0.00000000 0.00000000 8.22878691 1 [/CIF]
Ni2SeTl
R-3m
166
trigonal
-3m
8,558.354694
false
[CIF] data_MnRu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85432907 _cell_length_b 2.85432907 _cell_length_c 7.10640282 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnRu2Br _chemical_formula_sum 'Mn1 Ru2 Br1' _cell_volume 57.89724554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.42716454 1.42716454 3.70311943 1 Mn Mn1 1 0.00000000 0.00000000 5.37626221 1 Ru Ru2 1 1.42716454 1.42716454 7.01092069 1 Ru Ru3 1 0.00000000 0.00000000 1.67570471 1 [/CIF]
BrMnRu2
P4mm
99
tetragonal
4mm
9,664.913162
false
[CIF] data_SrLi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84801993 _cell_length_b 4.43580372 _cell_length_c 6.58016947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLi2W _chemical_formula_sum 'Sr1 Li2 W1' _cell_volume 83.12897465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42400996 2.21790186 4.51400856 1 Li Li1 1 1.42400996 2.21790186 2.06616091 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.29008473 1 [/CIF]
Li2SrW
Pmmm
47
orthorhombic
mmm
5,699.836192
false
[CIF] data_ZrTiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45791088 _cell_length_b 4.45791088 _cell_length_c 3.02420422 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiOs _chemical_formula_sum 'Zr1 Ti1 Os1' _cell_volume 52.04805573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 2.22895546 1.28688801 0.04388904 1 Ti Ti1 1 0.00000000 0.00000000 0.90681250 1 Zr Zr2 1 0.00000002 2.57377603 2.07350268 1 [/CIF]
OsTiZr
P3m1
156
trigonal
3m
10,506.643876
false
[CIF] data_TiAlCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75122604 _cell_length_b 4.75122604 _cell_length_c 4.75122604 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlCd2 _chemical_formula_sum 'Ti1 Al1 Cd2' _cell_volume 75.84065567 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.67981208 1.67981208 1.67981208 1 Cd Cd2 1 5.03943623 5.03943623 5.03943623 1 Ti Ti3 1 3.35962415 3.35962415 3.35962415 1 [/CIF]
AlCd2Ti
Fm-3m
225
cubic
m-3m
6,561.3177
false
[CIF] data_ScTaGaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50148265 _cell_length_b 4.50148265 _cell_length_c 4.50148265 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaGaCo _chemical_formula_sum 'Sc1 Ta1 Ga1 Co1' _cell_volume 64.49881640 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 4.77454337 4.77454337 4.77454337 1 Ga Ga1 1 1.59151446 1.59151446 1.59151445 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.18302891 3.18302891 3.18302891 1 [/CIF]
CoGaScTa
F-43m
216
cubic
-43m
9,128.240528
false
[CIF] data_NbCoSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85383676 _cell_length_b 2.85383676 _cell_length_c 6.43055151 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCoSi2 _chemical_formula_sum 'Nb1 Co1 Si2' _cell_volume 52.37288245 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 0.00000000 3.21527575 1 Si Si2 1 1.42691838 1.42691838 5.11567266 1 Si Si3 1 1.42691838 1.42691838 1.31487885 1 [/CIF]
CoNbSi2
P4/mmm
123
tetragonal
4/mmm
6,595.200987
false
[CIF] data_Li13AlAs(Se3Br)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.70236345 _cell_length_b 10.70438037 _cell_length_c 10.76816002 _cell_angle_alpha 92.35916428 _cell_angle_beta 93.19368491 _cell_angle_gamma 92.69108658 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li13AlAs(Se3Br)3 _chemical_formula_sum 'Li26 Al2 As2 Se18 Br6' _cell_volume 1229.16359053 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 -0.22396376 2.97376306 7.23932476 1 Li Li1 1 -0.24245952 2.87098019 3.10075287 1 Li Li2 1 -0.39354098 7.65796987 2.76608241 1 Li Li3 1 3.78305069 0.34981391 3.34151541 1 Li Li4 1 7.40114037 0.10877621 3.74534855 1 Li Li5 1 6.23988848 10.26629415 7.38214259 1 Li Li6 1 5.58888867 6.96110676 10.64982361 1 Li Li7 1 7.40299063 3.20546851 0.24169535 1 Li Li8 1 4.87431336 7.35366956 6.55088311 1 Li Li9 1 4.53869176 8.09985960 3.25909661 1 Li Li10 1 4.54624193 2.38024186 8.54445151 1 Li Li11 1 7.48800088 4.91257423 2.70811828 1 Li Li12 1 0.35677655 6.36568462 6.92787930 1 Li Li13 1 2.84508090 2.90224750 0.31922665 1 Li Li14 1 2.48984973 8.48453607 0.44941393 1 Li Li15 1 9.40260990 8.25255643 8.99437158 1 Li Li16 1 2.89890378 5.67666740 8.84841879 1 Li Li17 1 6.76988221 4.79688883 8.22448674 1 Li Li18 1 2.18990627 5.79829553 3.60612598 1 Li Li19 1 7.81758053 2.95543768 5.13563120 1 Li Li20 1 2.28815184 8.36948977 5.47063507 1 Li Li21 1 8.86021992 0.96422179 9.24991127 1 Li Li22 1 2.28709956 -0.36517914 8.91870475 1 Li Li23 1 0.83960841 10.49126936 2.22962393 1 Li Li24 1 8.17711529 0.45526300 1.05428255 1 Li Li25 1 7.89006115 6.94783498 5.29735606 1 Br Br26 1 9.90871525 10.47786669 0.09089095 1 Br Br27 1 4.81398116 4.44583727 10.28602655 1 Br Br28 1 9.67330730 4.95768905 5.34810964 1 Br Br29 1 4.64538028 9.81649545 5.43790126 1 Br Br30 1 1.96482860 2.25006355 8.48951413 1 Br Br31 1 7.25954458 7.41399038 7.75549437 1 As As32 1 10.39791376 5.42254481 0.09655450 1 As As33 1 -0.07947476 -0.21636205 5.52229069 1 Al Al34 1 4.36681745 9.77657719 10.72439578 1 Al Al35 1 4.45228205 4.47860105 5.19046526 1 Se Se36 1 8.78264656 3.52641309 9.22428514 1 Se Se37 1 1.21951186 4.36982018 1.62628733 1 Se Se38 1 8.64103918 6.65559588 1.10887816 1 Se Se39 1 0.44331617 6.48500202 9.58090540 1 Se Se40 1 1.68999531 1.56938842 4.31584666 1 Se Se41 1 8.78925859 9.10597106 4.09120642 1 Se Se42 1 8.84296931 1.00148064 6.65442189 1 Se Se43 1 0.43226225 8.99785616 7.16760461 1 Se Se44 1 6.18497791 9.22698265 1.75364442 1 Se Se45 1 6.23785476 0.70539691 9.58433251 1 Se Se46 1 3.39366879 0.48396179 0.71071606 1 Se Se47 1 3.72355725 8.10646818 9.12681661 1 Se Se48 1 5.79832890 6.12570186 4.10077752 1 Se Se49 1 3.43625789 3.16878546 3.33063069 1 Se Se50 1 2.76507222 5.86945770 6.24946709 1 Se Se51 1 5.79047888 3.16844874 6.59545517 1 Se Se52 1 8.01259732 2.44100763 2.64415325 1 Se Se53 1 2.00248781 8.26438516 2.95841443 1 [/CIF]
Al2As2Br6Li26Se18
P1
1
triclinic
1
3,086.889657
true
[CIF] data_KSr2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62484569 _cell_length_b 6.62484569 _cell_length_c 4.44083824 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSr2Cl _chemical_formula_sum 'K1 Sr2 Cl1' _cell_volume 194.90208621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 3.31242284 3.31242284 0.00000000 1 Sr Sr2 1 3.31242284 0.00000000 2.22041912 1 Sr Sr3 1 0.00000000 3.31242284 2.22041912 1 [/CIF]
ClKSr2
P4/mmm
123
tetragonal
4/mmm
2,128.187646
false
[CIF] data_ZnPbBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80502408 _cell_length_b 3.80502408 _cell_length_c 9.34312141 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnPbBr2 _chemical_formula_sum 'Zn1 Pb1 Br2' _cell_volume 135.27165747 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.90251204 1.90251204 2.89634465 1 Br Br1 1 1.90251204 1.90251204 6.44677676 1 Pb Pb2 1 0.00000000 0.00000000 4.67156071 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2PbZn
P4/mmm
123
tetragonal
4/mmm
5,307.816725
false
[CIF] data_CuNi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.58450338 _cell_length_b 4.08591560 _cell_length_c 4.84418393 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.77714708 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuNi2Pd _chemical_formula_sum 'Cu1 Ni2 Pd1' _cell_volume 50.41189752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.01556602 0.00000000 3.64089033 1 Ni Ni1 1 2.57524129 2.04295780 0.02189100 1 Ni Ni2 1 1.78119609 0.00000000 1.11619776 1 Pd Pd3 1 0.88645395 2.04295780 2.38175926 1 [/CIF]
CuNi2Pd
Pm
6
monoclinic
m
9,465.236853
false
[CIF] data_ThCo2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51470480 _cell_length_b 4.51470480 _cell_length_c 4.51470480 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThCo2Tc _chemical_formula_sum 'Th1 Co2 Tc1' _cell_volume 65.06884221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.59618919 1.59618919 1.59618919 1 Co Co1 1 4.78856757 4.78856757 4.78856757 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 Th Th3 1 3.19237838 3.19237838 3.19237838 1 [/CIF]
Co2TcTh
Fm-3m
225
cubic
m-3m
11,453.525105
false
[CIF] data_Te3AsF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34635934 _cell_length_b 5.34635934 _cell_length_c 5.34635934 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te3AsF _chemical_formula_sum 'Te3 As1 F1' _cell_volume 152.81797331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.67317967 2.67317967 2.67317967 1 Te Te1 1 2.67317967 0.00000000 2.67317967 1 Te Te2 1 2.67317967 2.67317967 0.00000000 1 Te Te3 1 0.00000000 2.67317967 2.67317967 1 F F4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsFTe3
Pm-3m
221
cubic
m-3m
5,180.098728
false
[CIF] data_InSiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73608309 _cell_length_b 4.73608309 _cell_length_c 4.73608309 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSiHg _chemical_formula_sum 'In1 Si1 Hg1' _cell_volume 75.11781410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.02337471 5.02337471 5.02337471 1 In In1 1 3.34891647 3.34891647 3.34891647 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgInSi
F-43m
216
cubic
-43m
7,593.197202
false
[CIF] data_SbMoBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65475664 _cell_length_b 4.65475664 _cell_length_c 4.56330005 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbMoBr2 _chemical_formula_sum 'Sb1 Mo1 Br2' _cell_volume 98.87192415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32737832 0.00000000 2.28165002 1 Br Br1 1 0.00000000 2.32737832 2.28165002 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 2.32737832 2.32737832 0.00000000 1 [/CIF]
Br2MoSb
P4/mmm
123
tetragonal
4/mmm
6,340.525868
false
[CIF] data_MnCd2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48856389 _cell_length_b 6.48856389 _cell_length_c 6.48856389 _cell_angle_alpha 152.24519563 _cell_angle_beta 137.54817419 _cell_angle_gamma 51.47956630 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCd2Se _chemical_formula_sum 'Mn1 Cd2 Se1' _cell_volume 85.47071956 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.51109886 1 Cd Cd1 1 1.55625069 0.00000000 3.65398807 1 Mn Mn2 1 -0.00000000 -0.00000000 6.09586752 1 Se Se3 1 -0.00000000 2.34915984 2.11800800 1 [/CIF]
Cd2MnSe
Imm2
44
orthorhombic
mm2
6,969.271486
false
[CIF] data_CuAs2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94799413 _cell_length_b 2.94799413 _cell_length_c 8.44690550 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.62143911 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAs2Os _chemical_formula_sum 'Cu1 As2 Os1' _cell_volume 63.81540990 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48242314 -0.00000000 6.29133622 1 As As1 1 1.48242314 -0.00000000 2.15556928 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 0.00000000 4.22345275 1 [/CIF]
As2CuOs
Cmmm
65
orthorhombic
mmm
10,502.56436
false
[CIF] data_VCoW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10453730 _cell_length_b 3.10453730 _cell_length_c 5.91216195 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCoW2 _chemical_formula_sum 'V1 Co1 W2' _cell_volume 56.98231444 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.55226865 1.55226865 2.99347682 1 V V1 1 0.00000000 0.00000000 4.38740374 1 W W2 1 1.55226865 1.55226865 5.86855940 1 W W3 1 0.00000000 0.00000000 1.53096498 1 [/CIF]
CoVW2
P4mm
99
tetragonal
4mm
13,916.597302
false
[CIF] data_Sr(H8O5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29798400 _cell_length_b 6.35956002 _cell_length_c 7.01353221 _cell_angle_alpha 89.82861530 _cell_angle_beta 89.17738671 _cell_angle_gamma 89.20966192 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr(H8O5)2 _chemical_formula_sum 'Sr1 H16 O10' _cell_volume 280.85207909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 6.23525491 0.01147490 0.07858524 1 H H1 1 4.25668085 2.13630259 1.40854532 1 H H2 1 4.59936648 0.94039620 2.42029340 1 H H3 1 2.20013902 4.31516109 1.33369088 1 H H4 1 1.92861549 5.73638553 2.04540410 1 H H5 1 0.69938895 1.84345292 2.05471006 1 H H6 1 2.10092568 2.11360776 1.29939136 1 H H7 1 4.35498065 4.20395846 1.37565537 1 H H8 1 5.75535515 4.48609862 2.10390473 1 H H9 1 1.91977338 5.75631702 4.99845154 1 H H10 1 2.23444487 4.33491961 5.69520649 1 H H11 1 4.28170417 2.05419918 5.67296195 1 H H12 1 4.56578234 0.60019709 5.00093406 1 H H13 1 4.40814596 4.24831015 5.68820072 1 H H14 1 5.81337151 4.62563693 4.97772877 1 H H15 1 2.12602882 2.12419041 5.69735942 1 H H16 1 0.72390100 1.79342288 4.96212533 1 O O17 1 3.19952559 3.15458617 0.75254865 1 O O18 1 3.28957617 3.17633401 6.26541580 1 O O19 1 5.00984362 1.55984908 1.79494259 1 O O20 1 1.48336263 4.94662924 1.67911948 1 O O21 1 1.47523175 1.39121446 1.65784270 1 O O22 1 4.96958981 4.92589222 1.72219900 1 O O23 1 1.50011750 4.95545124 5.37176997 1 O O24 1 4.99921151 1.42495003 5.30695083 1 O O25 1 4.99679497 5.00980839 5.36067575 1 O O26 1 1.51197255 1.38420674 5.37470833 1 [/CIF]
H16O10Sr
P1
1
triclinic
1
1,559.369978
false
[CIF] data_NbTl2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.46238362 _cell_length_b 9.46238362 _cell_length_c 9.46238362 _cell_angle_alpha 20.64478113 _cell_angle_beta 20.64478113 _cell_angle_gamma 20.64478113 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTl2Cl _chemical_formula_sum 'Nb1 Tl2 Cl1' _cell_volume 92.19401925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 13.88643527 1 Tl Tl2 1 0.00000000 0.00000000 6.90884621 1 Tl Tl3 1 -0.00000000 0.00000000 20.86402434 1 [/CIF]
ClNbTl2
R-3m
166
trigonal
-3m
9,674.365866
false
[CIF] data_NbAl2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36465606 _cell_length_b 5.36465606 _cell_length_c 5.36465606 _cell_angle_alpha 135.11479658 _cell_angle_beta 135.11479658 _cell_angle_gamma 65.35188378 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAl2Te _chemical_formula_sum 'Nb1 Al2 Te1' _cell_volume 75.75965221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04799880 0.00000000 2.25781623 1 Nb Nb2 1 0.00000000 0.00000000 4.51563245 1 Te Te3 1 -0.00000000 2.04799880 2.25781623 1 [/CIF]
Al2NbTe
I-4m2
119
tetragonal
-42m
6,015.96289
false
[CIF] data_TiZn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40509646 _cell_length_b 4.40509646 _cell_length_c 4.40509646 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZn2W _chemical_formula_sum 'Ti1 Zn2 W1' _cell_volume 60.44373196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 3.11487358 3.11487358 3.11487358 1 Zn Zn2 1 4.67231037 4.67231037 4.67231037 1 Zn Zn3 1 1.55743679 1.55743679 1.55743679 1 [/CIF]
TiWZn2
Fm-3m
225
cubic
m-3m
9,957.866504
false
[CIF] data_MnNbCuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42142073 _cell_length_b 4.42142073 _cell_length_c 4.42142073 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbCuPd _chemical_formula_sum 'Mn1 Nb1 Cu1 Pd1' _cell_volume 61.11819662 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.56320829 1.56320829 1.56320829 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 3.12641658 3.12641658 3.12641658 1 Pd Pd3 1 4.68962487 4.68962487 4.68962487 1 [/CIF]
CuMnNbPd
F-43m
216
cubic
-43m
8,634.689106
false
[CIF] data_Hf2GePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28149385 _cell_length_b 3.28149385 _cell_length_c 8.19997028 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.94475751 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2GePb _chemical_formula_sum 'Hf2 Ge1 Pb1' _cell_volume 86.05495061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 2.04401576 0.00000000 1.79092025 1 Hf Hf2 1 2.04401576 0.00000000 6.40905003 1 Pb Pb3 1 0.00000000 0.00000000 4.09998514 1 [/CIF]
GeHf2Pb
Cmmm
65
orthorhombic
mmm
12,288.246997
false
[CIF] data_Mn2CuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88740378 _cell_length_b 4.88740378 _cell_length_c 4.88740378 _cell_angle_alpha 146.83632112 _cell_angle_beta 128.28321139 _cell_angle_gamma 62.82818745 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CuIr _chemical_formula_sum 'Mn2 Cu1 Ir1' _cell_volume 49.60479636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.04766204 1 Ir Ir1 1 0.00000000 2.13163360 2.25025034 1 Mn Mn2 1 0.00000000 0.00000000 0.21055922 1 Mn Mn3 1 1.39478978 0.00000000 1.83357019 1 [/CIF]
CuIrMn2
Imm2
44
orthorhombic
mm2
12,239.904965
false
[CIF] data_BeZnTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04002433 _cell_length_b 4.04002433 _cell_length_c 4.04002433 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeZnTc _chemical_formula_sum 'Be1 Zn1 Tc1' _cell_volume 46.62694312 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 1.42836430 1.42836430 1.42836430 1 Zn Zn2 1 2.85672860 2.85672860 2.85672860 1 [/CIF]
BeTcZn
F-43m
216
cubic
-43m
6,171.726351
false