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_ScRe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15315636 _cell_length_b 7.19036977 _cell_length_c 7.19036977 _cell_angle_alpha 25.71711369 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScRe2Se _chemical_formula_sum 'Sc1 Re2 Se1' _cell_volume 70.74012786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32972021 1 Re Re1 1 1.57657818 -0.00000000 8.01217198 1 Sc Sc2 1 0.00000000 0.00000000 13.03709202 1 Se Se3 1 1.57657818 0.00000000 4.46056923 1 [/CIF]
Re2ScSe
Amm2
38
orthorhombic
mm2
11,650.815966
false
[CIF] data_TaCuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30728536 _cell_length_b 4.30728536 _cell_length_c 4.30728536 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCuSn _chemical_formula_sum 'Ta1 Cu1 Sn1' _cell_volume 56.50617869 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 1.52285535 1.52285535 1.52285535 1 Ta Ta2 1 4.56856604 4.56856604 4.56856604 1 [/CIF]
CuSnTa
F-43m
216
cubic
-43m
10,673.420958
false
[CIF] data_SmTh2Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57289380 _cell_length_b 5.57289380 _cell_length_c 5.57289380 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmTh2Sc _chemical_formula_sum 'Sm1 Th2 Sc1' _cell_volume 122.38474976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 -0.00000000 0.00000000 0.00000000 1 Sm Sm1 1 3.94063100 3.94063100 3.94063100 1 Th Th2 1 5.91094650 5.91094650 5.91094650 1 Th Th3 1 1.97031550 1.97031550 1.97031550 1 [/CIF]
ScSmTh2
Fm-3m
225
cubic
m-3m
8,946.753835
false
[CIF] data_ZrHgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81788646 _cell_length_b 7.68634827 _cell_length_c 3.21592833 _cell_angle_alpha 80.33162179 _cell_angle_beta 75.74513444 _cell_angle_gamma 23.92324377 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrHgSb _chemical_formula_sum 'Zr1 Hg1 Sb1' _cell_volume 75.14490494 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 2.03749799 2.48813122 14.52770976 1 Sb Sb1 1 2.03749799 2.48813122 10.17455812 1 Zr Zr2 1 2.03749799 2.48813122 4.94325149 1 [/CIF]
HgSbZr
Fmm2
42
orthorhombic
mm2
9,139.086468
false
[CIF] data_VTcOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33094968 _cell_length_b 4.33094968 _cell_length_c 4.33094968 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTcOs2 _chemical_formula_sum 'V1 Tc1 Os2' _cell_volume 57.44264334 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53122194 1.53122194 1.53122194 1 Os Os1 1 3.06244389 3.06244389 3.06244389 1 Tc Tc2 1 4.59366583 4.59366583 4.59366583 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2TcV
F-43m
216
cubic
-43m
15,330.016204
false
[CIF] data_SrMgTlCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03454880 _cell_length_b 5.03454880 _cell_length_c 5.03454880 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgTlCo _chemical_formula_sum 'Sr1 Mg1 Tl1 Co1' _cell_volume 90.23326411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.55996360 3.55996360 3.55996360 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 5.33994540 5.33994540 5.33994540 1 Tl Tl3 1 1.77998180 1.77998180 1.77998180 1 [/CIF]
CoMgSrTl
F-43m
216
cubic
-43m
6,905.470704
false
[CIF] data_CrAg2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47667149 _cell_length_b 4.47667149 _cell_length_c 4.47667149 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAg2Os _chemical_formula_sum 'Cr1 Ag2 Os1' _cell_volume 63.43817501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16548477 3.16548477 3.16548477 1 Ag Ag1 1 1.58274239 1.58274239 1.58274238 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 4.74822716 4.74822716 4.74822716 1 [/CIF]
Ag2CrOs
F-43m
216
cubic
-43m
11,987.492107
false
[CIF] data_MoP2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45592585 _cell_length_b 4.45592585 _cell_length_c 3.09405806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoP2Se _chemical_formula_sum 'Mo1 P2 Se1' _cell_volume 61.43337421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22796292 2.22796292 0.00000000 1 P P1 1 2.22796292 0.00000000 1.54702903 1 P P2 1 0.00000000 2.22796292 1.54702903 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoP2Se
P4/mmm
123
tetragonal
4/mmm
6,402.509748
false
[CIF] data_NaNb2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77984141 _cell_length_b 2.77984141 _cell_length_c 9.73810387 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.54833623 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNb2Fe _chemical_formula_sum 'Na1 Nb2 Fe1' _cell_volume 70.46361284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.58353702 0.00000000 5.17247713 1 Na Na1 1 0.00000000 0.00000000 2.66445857 1 Nb Nb2 1 1.58353702 0.00000000 9.46489776 1 Nb Nb3 1 0.00000000 0.00000000 7.04342621 1 [/CIF]
FeNaNb2
Cmm2
35
orthorhombic
mm2
6,236.659512
false
[CIF] data_NbCr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35104601 _cell_length_b 4.35104601 _cell_length_c 4.35104601 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCr2Rh _chemical_formula_sum 'Nb1 Cr2 Rh1' _cell_volume 58.24598981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.53832707 1.53832707 1.53832707 1 Nb Nb2 1 3.07665414 3.07665414 3.07665414 1 Rh Rh3 1 4.61498121 4.61498121 4.61498121 1 [/CIF]
Cr2NbRh
F-43m
216
cubic
-43m
8,547.135843
false
[CIF] data_Nb2ZnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43571667 _cell_length_b 3.43571667 _cell_length_c 5.55429244 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2ZnIr _chemical_formula_sum 'Nb2 Zn1 Ir1' _cell_volume 65.56369575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.77714622 1 Nb Nb1 1 1.71785834 1.71785834 4.12829356 1 Nb Nb2 1 1.71785834 1.71785834 1.42599888 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrNb2Zn
P4/mmm
123
tetragonal
4/mmm
11,230.288661
false
[CIF] data_Be3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.61169682 _cell_length_b 3.53478101 _cell_length_c 4.43898283 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.33193593 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be3Rh _chemical_formula_sum 'Be3 Rh1' _cell_volume 39.87531402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97354443 1.76739051 1.06661344 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Be Be2 1 -0.38544216 1.76739051 3.25274100 1 Rh Rh3 1 0.79405114 0.00000000 2.15967722 1 [/CIF]
Be3Rh
P2/m
10
monoclinic
2/m
5,411.213657
false
[CIF] data_Ta5Mo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35668927 _cell_length_b 5.35668927 _cell_length_c 6.51572855 _cell_angle_alpha 107.70337023 _cell_angle_beta 107.70337023 _cell_angle_gamma 51.52725177 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta5Mo3 _chemical_formula_sum 'Ta5 Mo3' _cell_volume 137.77769495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.28643008 0.00000000 1.52004838 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 3.16192482 0.00000000 4.61301435 1 Ta Ta3 1 6.93953601 0.00000000 0.73645799 1 Ta Ta4 1 0.50881889 0.00000000 5.39660474 1 Ta Ta5 1 5.79643726 0.00000000 3.83071613 1 Ta Ta6 1 -1.10002956 0.00000000 3.06653137 1 Ta Ta7 1 1.65191764 0.00000000 2.30234660 1 [/CIF]
Mo3Ta5
C2/m
12
monoclinic
2/m
14,373.815051
false
[CIF] data_ScNiPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95517331 _cell_length_b 5.95517331 _cell_length_c 5.95517331 _cell_angle_alpha 143.36171329 _cell_angle_beta 134.22526268 _cell_angle_gamma 60.00661478 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNiPb2 _chemical_formula_sum 'Sc1 Ni1 Pb2' _cell_volume 89.42898877 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87176847 -0.00000000 2.62687025 1 Pb Pb1 1 0.00000000 0.00000000 0.20403590 1 Pb Pb2 1 -0.00000000 2.31609111 2.53999150 1 Sc Sc3 1 -0.00000000 -0.00000000 4.94342131 1 [/CIF]
NiPb2Sc
Imm2
44
orthorhombic
mm2
9,619.264769
false
[CIF] data_Sc2MnTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29252718 _cell_length_b 3.29252718 _cell_length_c 7.19490630 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2MnTl _chemical_formula_sum 'Sc2 Mn1 Tl1' _cell_volume 77.99807442 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 1.64626359 1.64626359 1.45658166 1 Sc Sc2 1 1.64626359 1.64626359 5.73832464 1 Tl Tl3 1 0.00000000 0.00000000 3.59745315 1 [/CIF]
MnSc2Tl
P4/mmm
123
tetragonal
4/mmm
7,435.025423
false
[CIF] data_SnBiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82068055 _cell_length_b 3.82068055 _cell_length_c 8.42657946 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnBiBr2 _chemical_formula_sum 'Sn1 Bi1 Br2' _cell_volume 123.00783519 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91034028 1.91034028 6.25745673 1 Br Br1 1 0.00000000 0.00000000 7.98810223 1 Br Br2 1 1.91034028 1.91034028 2.58857308 1 Sn Sn3 1 0.00000000 0.00000000 4.23231661 1 [/CIF]
BiBr2Sn
P4mm
99
tetragonal
4mm
6,580.964024
false
[CIF] data_MgTaTcHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63854279 _cell_length_b 4.63854279 _cell_length_c 4.63854279 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaTcHg _chemical_formula_sum 'Mg1 Ta1 Tc1 Hg1' _cell_volume 70.57155766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63997253 1.63997253 1.63997253 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 3.27994506 3.27994506 3.27994506 1 Tc Tc3 1 4.91991759 4.91991759 4.91991759 1 [/CIF]
HgMgTaTc
F-43m
216
cubic
-43m
11,876.676581
false
[CIF] data_Li2GeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66916981 _cell_length_b 3.66916981 _cell_length_c 4.28578354 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2GeMo _chemical_formula_sum 'Li2 Ge1 Mo1' _cell_volume 57.69867705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 0.00000000 1.83458491 2.14289177 1 Li Li2 1 1.83458491 0.00000000 2.14289177 1 Mo Mo3 1 1.83458491 1.83458491 0.00000000 1 [/CIF]
GeLi2Mo
P4/mmm
123
tetragonal
4/mmm
5,251.740689
false
[CIF] data_Na2AgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81996082 _cell_length_b 4.81996082 _cell_length_c 4.81996082 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2AgRu _chemical_formula_sum 'Na2 Ag1 Ru1' _cell_volume 79.18000518 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40822698 3.40822698 3.40822698 1 Na Na1 1 5.11234047 5.11234047 5.11234047 1 Na Na2 1 1.70411349 1.70411349 1.70411349 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgNa2Ru
Fm-3m
225
cubic
m-3m
5,346.057539
false
[CIF] data_AgRh3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37145518 _cell_length_b 4.37145518 _cell_length_c 4.37145518 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgRh3S _chemical_formula_sum 'Ag1 Rh3 S1' _cell_volume 83.53684904 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S S0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 0.00000000 2.18572759 0.00000000 1 Rh Rh2 1 0.00000000 0.00000000 2.18572759 1 Rh Rh3 1 2.18572759 0.00000000 0.00000000 1 Ag Ag4 1 2.18572759 2.18572759 2.18572759 1 [/CIF]
AgRh3S
Pm-3m
221
cubic
m-3m
8,918.224264
false
[CIF] data_Ba2NaB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93038700 _cell_length_b 7.93038700 _cell_length_c 7.93038700 _cell_angle_alpha 152.59854952 _cell_angle_beta 140.71639390 _cell_angle_gamma 48.56078265 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NaB _chemical_formula_sum 'Ba2 Na1 B1' _cell_volume 144.78169472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.96333053 1 Ba Ba1 1 -0.00000000 2.66571082 6.02198405 1 Ba Ba2 1 0.00000000 -0.00000000 3.40567933 1 Na Na3 1 -0.00000000 2.66571082 1.29569755 1 [/CIF]
BBa2Na
Imm2
44
orthorhombic
mm2
3,537.748302
false
[CIF] data_BeAgCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61787846 _cell_length_b 3.66528126 _cell_length_c 6.94971691 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAgCl2 _chemical_formula_sum 'Be1 Ag1 Cl2' _cell_volume 92.15701381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83264063 3.47485846 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Cl Cl2 1 1.80893923 0.00000000 3.47485846 1 Cl Cl3 1 1.80893923 1.83264063 0.00000000 1 [/CIF]
AgBeCl2
Pmmm
47
orthorhombic
mmm
3,383.645049
false
[CIF] data_Sr2H6Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47411994 _cell_length_b 7.47411994 _cell_length_c 5.65357400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 44.43747029 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2H6Pt _chemical_formula_sum 'Sr4 H12 Pt2' _cell_volume 221.11701747 _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 Sr Sr0 1 4.89743931 -0.00000000 0.00000000 1 Sr Sr1 1 8.94084869 -0.00000000 0.00000000 1 Sr Sr2 1 2.02170469 -0.00000000 2.82678700 1 Sr Sr3 1 11.81658331 -0.00000000 2.82678700 1 H H4 1 1.66830249 -0.00000000 0.00000000 1 H H5 1 12.16998551 -0.00000000 0.00000000 1 H H6 1 5.25084151 -0.00000000 2.82678700 1 H H7 1 8.58744649 -0.00000000 2.82678700 1 H H8 1 10.37871600 -1.40975345 1.41339350 1 H H9 1 3.45957200 1.40975345 4.24018050 1 H H10 1 10.37871600 1.40975345 4.24018050 1 H H11 1 3.45957200 -1.40975345 1.41339350 1 H H12 1 6.91914400 -1.62028379 1.20485012 1 H H13 1 6.91914400 1.62028379 4.44872388 1 H H14 1 6.91914400 -1.20600621 4.03163712 1 H H15 1 6.91914400 1.20600621 1.62193688 1 Pt Pt16 1 0.00000000 0.00000000 0.00000000 1 Pt Pt17 1 6.91914400 -0.00000000 2.82678700 1 [/CIF]
H12Pt2Sr4
Cmce
64
orthorhombic
mmm
5,652.932723
false
[CIF] data_Cu2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80356310 _cell_length_b 2.80356310 _cell_length_c 9.13488311 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2C _chemical_formula_sum 'Cu4 C2' _cell_volume 62.18051231 _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 6.85116233 1 C C1 1 0.00000000 0.00000000 2.28372078 1 Cu Cu2 1 0.00000000 1.61863791 8.09418132 1 Cu Cu3 1 1.40178155 0.80931895 3.52673977 1 Cu Cu4 1 1.40178155 0.80931895 1.04070179 1 Cu Cu5 1 -0.00000000 1.61863791 5.60814334 1 [/CIF]
C2Cu4
P6_3/mmc
194
hexagonal
6/mmm
7,429.513176
false
[CIF] data_Mg2GeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26205982 _cell_length_b 4.35710020 _cell_length_c 6.78801124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2GeBi _chemical_formula_sum 'Mg2 Ge1 Bi1' _cell_volume 96.47882846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63102991 2.17855010 3.19743086 1 Ge Ge1 1 0.00000000 0.00000000 5.60231646 1 Mg Mg2 1 1.63102991 2.17855010 6.52504348 1 Mg Mg3 1 0.00000000 0.00000000 1.64523730 1 [/CIF]
BiGeMg2
Pmm2
25
orthorhombic
mm2
5,683.739002
false
[CIF] data_NbSnRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64689766 _cell_length_b 4.64689766 _cell_length_c 4.64689766 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSnRuAu _chemical_formula_sum 'Nb1 Sn1 Ru1 Au1' _cell_volume 70.95358236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.28585285 3.28585285 3.28585285 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.64292642 1.64292642 1.64292643 1 Sn Sn3 1 4.92877928 4.92877928 4.92877928 1 [/CIF]
AuNbRuSn
F-43m
216
cubic
-43m
11,927.496879
false
[CIF] data_Ag2GePbS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.28345700 _cell_length_b 6.29483693 _cell_length_c 6.29483693 _cell_angle_alpha 113.29791046 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2GePbS4 _chemical_formula_sum 'Ag4 Ge2 Pb2 S8' _cell_volume 374.25596627 _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 9.25790840 -1.22675676 3.27552013 1 Ag Ag1 1 6.16727710 -1.22675676 3.27552013 1 Ag Ag2 1 4.11617990 1.22675676 3.27552013 1 Ag Ag3 1 1.02554860 1.22675676 3.27552013 1 Ge Ge4 1 7.71259275 2.10949118 3.63501021 1 Ge Ge5 1 2.57086425 -2.10949118 3.63501021 1 Pb Pb6 1 0.00000000 0.00000000 6.82522421 1 Pb Pb7 1 5.14172850 0.00000000 6.82522421 1 S S8 1 9.57648990 2.08256925 4.90826219 1 S S9 1 7.71259275 -1.23881905 5.92682086 1 S S10 1 7.71259275 0.40796193 2.16445708 1 S S11 1 5.84869560 2.08256925 4.90826219 1 S S12 1 4.43476140 -2.08256925 4.90826219 1 S S13 1 2.57086425 1.23881905 5.92682086 1 S S14 1 2.57086425 -0.40796193 2.16445708 1 S S15 1 0.70696710 -2.08256925 4.90826219 1 [/CIF]
Ag8Ge4Pb4S16
Ama2
40
orthorhombic
mm2
5,535.80868
false
[CIF] data_VCuPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40060397 _cell_length_b 4.40060397 _cell_length_c 4.40060397 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCuPtAu _chemical_formula_sum 'V1 Cu1 Pt1 Au1' _cell_volume 60.25899184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.11169691 3.11169691 3.11169691 1 Cu Cu1 1 1.55584846 1.55584846 1.55584846 1 Pt Pt2 1 4.66754537 4.66754537 4.66754537 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCuPtV
F-43m
216
cubic
-43m
13,958.518498
false
[CIF] data_CrNi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.58248977 _cell_length_b 2.58248977 _cell_length_c 7.28812151 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.13542123 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrNi2Pd _chemical_formula_sum 'Cr1 Ni2 Pd1' _cell_volume 48.57257466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68440142 1 Ni Ni1 1 1.79175152 0.00000000 0.02579711 1 Ni Ni2 1 0.00000000 0.00000000 5.59230033 1 Pd Pd3 1 1.79175152 0.00000000 3.62968340 1 [/CIF]
CrNi2Pd
Cmm2
35
orthorhombic
mm2
9,428.808197
false
[CIF] data_SbMo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18902853 _cell_length_b 3.18902853 _cell_length_c 6.56604734 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbMo2Os _chemical_formula_sum 'Sb1 Mo2 Os1' _cell_volume 66.77606431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59451427 1.59451427 0.08116002 1 Mo Mo1 1 0.00000000 0.00000000 1.62582739 1 Os Os2 1 1.59451427 1.59451427 3.19842823 1 Sb Sb3 1 0.00000000 0.00000000 4.94365538 1 [/CIF]
Mo2OsSb
P4mm
99
tetragonal
4mm
12,530.870899
false
[CIF] data_Ba2CrP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40597245 _cell_length_b 6.40597245 _cell_length_c 6.40597245 _cell_angle_alpha 136.47809086 _cell_angle_beta 136.47809086 _cell_angle_gamma 63.24205898 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CrP _chemical_formula_sum 'Ba2 Cr1 P1' _cell_volume 123.06786758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37491828 -0.00000000 2.72745345 1 Ba Ba1 1 -0.00000000 0.00000000 5.45490691 1 Cr Cr2 1 -0.00000000 2.37491828 2.72745346 1 P P3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
Ba2CrP
I-4m2
119
tetragonal
-42m
4,825.373233
false
[CIF] data_Sc2CrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98682478 _cell_length_b 2.98682478 _cell_length_c 8.14202400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CrOs _chemical_formula_sum 'Sc2 Cr1 Os1' _cell_volume 72.63599160 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 4.40938084 1 Os Os1 1 1.49341239 1.49341239 5.75434249 1 Sc Sc2 1 0.00000000 0.00000000 7.67630666 1 Sc Sc3 1 1.49341239 1.49341239 2.51503001 1 [/CIF]
CrOsSc2
P4mm
99
tetragonal
4mm
7,593.040119
false
[CIF] data_SrBeAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28832973 _cell_length_b 4.01405861 _cell_length_c 6.08465274 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeAg2 _chemical_formula_sum 'Sr1 Be1 Ag2' _cell_volume 80.31466752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.27213555 1 Ag Ag1 1 1.64416487 2.00702931 1.64149182 1 Be Be2 1 0.00000000 0.00000000 2.72971663 1 Sr Sr3 1 1.64416487 2.00702931 4.48363512 1 [/CIF]
Ag2BeSr
Pmm2
25
orthorhombic
mm2
6,458.350008
false
[CIF] data_TlRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10058501 _cell_length_b 5.10058501 _cell_length_c 5.10058501 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlRh3 _chemical_formula_sum 'Tl1 Rh3' _cell_volume 132.69665357 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.55029250 0.00000000 0.00000000 1 Rh Rh1 1 0.00000000 2.55029250 0.00000000 1 Rh Rh2 1 0.00000000 0.00000000 2.55029250 1 Tl Tl3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Rh3Tl
Pm-3m
221
cubic
m-3m
6,420.827052
false
[CIF] data_LiFeF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73206900 _cell_length_b 8.73206900 _cell_length_c 6.21044400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFeF3 _chemical_formula_sum 'Li8 Fe8 F24' _cell_volume 473.54032479 _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 Li Li0 1 8.36197772 7.41794501 1.01827061 1 Li Li1 1 7.41794501 0.37009128 5.19217339 1 Li Li2 1 1.31412399 8.36197772 5.19217339 1 Li Li3 1 0.37009128 1.31412399 1.01827061 1 Li Li4 1 3.99594322 3.05191051 2.08695139 1 Li Li5 1 3.05191051 4.73612578 4.12349261 1 Li Li6 1 5.68015849 3.99594322 4.12349261 1 Li Li7 1 4.73612578 5.68015849 2.08695139 1 Fe Fe8 1 4.52680935 7.05056940 5.56947650 1 Fe Fe9 1 2.68453490 8.57129415 2.46425450 1 Fe Fe10 1 6.04753410 0.16077485 2.46425450 1 Fe Fe11 1 4.20525965 1.68149960 5.56947650 1 Fe Fe12 1 0.16077485 2.68453490 3.74618950 1 Fe Fe13 1 7.05056940 4.20525965 0.64096750 1 Fe Fe14 1 1.68149960 4.52680935 0.64096750 1 Fe Fe15 1 8.57129415 6.04753410 3.74618950 1 F F16 1 7.22398829 7.26649600 2.72734753 1 F F17 1 8.32586188 7.34404551 5.32380375 1 F F18 1 4.23090573 7.50313507 1.66352953 1 F F19 1 1.46557300 7.22398829 3.48309647 1 F F20 1 5.59496843 8.59694023 4.76875153 1 F F21 1 1.38802349 8.32586188 0.88664025 1 F F22 1 7.34404551 0.40620712 0.88664025 1 F F23 1 3.13710057 0.13512877 4.76875153 1 F F24 1 7.26649600 1.50808071 3.48309647 1 F F25 1 4.50116327 1.22893393 1.66352953 1 F F26 1 0.40620712 1.38802349 5.32380375 1 F F27 1 1.50808071 1.46557300 2.72734753 1 F F28 1 2.85795379 2.90046150 0.37787447 1 F F29 1 3.95982738 2.97801101 3.99186225 1 F F30 1 8.59694023 3.13710057 1.44169247 1 F F31 1 5.83160750 2.85795379 5.83256953 1 F F32 1 1.22893393 4.23090573 4.54691447 1 F F33 1 5.75405799 3.95982738 2.21858175 1 F F34 1 2.97801101 4.77224162 2.21858175 1 F F35 1 7.50313507 4.50116327 4.54691447 1 F F36 1 2.90046150 5.87411521 5.83256953 1 F F37 1 0.13512877 5.59496843 1.44169247 1 F F38 1 4.77224162 5.75405799 3.99186225 1 F F39 1 5.87411521 5.83160750 0.37787447 1 [/CIF]
F24Fe8Li8
P4_2/n
86
tetragonal
4/m
3,360.243976
false
[CIF] data_CdSnIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08235906 _cell_length_b 3.08235906 _cell_length_c 7.29237067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSnIr2 _chemical_formula_sum 'Cd1 Sn1 Ir2' _cell_volume 69.28435705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.54117953 1.54117953 1.96980780 1 Ir Ir2 1 1.54117953 1.54117953 5.32256287 1 Sn Sn3 1 0.00000000 0.00000000 3.64618534 1 [/CIF]
CdIr2Sn
P4/mmm
123
tetragonal
4/mmm
14,753.541371
false
[CIF] data_BaTeBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10515514 _cell_length_b 6.10515514 _cell_length_c 6.10515514 _cell_angle_alpha 129.39503861 _cell_angle_beta 129.39503861 _cell_angle_gamma 74.37576500 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTeBr2 _chemical_formula_sum 'Ba1 Te1 Br2' _cell_volume 132.46003053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 4.86371926 1 Br Br1 1 0.00000000 2.60932503 2.43185963 1 Br Br2 1 2.60932503 -0.00000000 2.43185963 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBr2Te
I4/mmm
139
tetragonal
4/mmm
5,324.542487
false
[CIF] data_Ti2RuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82273226 _cell_length_b 4.82273226 _cell_length_c 3.14195776 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.42308966 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2RuPb _chemical_formula_sum 'Ti2 Ru1 Pb1' _cell_volume 69.72516132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.85433783 -0.00000000 0.00000000 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.42716892 1.94367577 1.57097888 1 Ti Ti3 1 1.42716892 -1.94367577 1.57097888 1 [/CIF]
PbRuTi2
Cmmm
65
orthorhombic
mmm
9,621.554291
false
[CIF] data_GeOs2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87408421 _cell_length_b 2.87408421 _cell_length_c 8.12099497 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeOs2Cl _chemical_formula_sum 'Ge1 Os2 Cl1' _cell_volume 67.08234239 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.65610312 1 Ge Ge1 1 1.43704211 1.43704211 6.37189402 1 Os Os2 1 0.00000000 0.00000000 0.24338435 1 Os Os3 1 1.43704211 1.43704211 1.91011097 1 [/CIF]
ClGeOs2
P4mm
99
tetragonal
4mm
12,093.62056
false
[CIF] data_HfTlBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31050268 _cell_length_b 3.31050268 _cell_length_c 9.68390472 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTlBr2 _chemical_formula_sum 'Hf1 Tl1 Br2' _cell_volume 106.13005648 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65525134 1.65525134 8.04794266 1 Br Br1 1 1.65525134 1.65525134 1.63596206 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 4.84195236 1 [/CIF]
Br2HfTl
P4/mmm
123
tetragonal
4/mmm
8,490.935831
false
[CIF] data_Zr2TlMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75448593 _cell_length_b 4.75448593 _cell_length_c 3.65709577 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.99686968 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TlMo _chemical_formula_sum 'Zr2 Tl1 Mo1' _cell_volume 82.65663669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 -0.00000000 -0.00000000 0.00000000 1 Tl Tl1 1 3.33255587 -0.00000000 0.00000000 1 Zr Zr2 1 1.66627794 -1.69552410 1.82854788 1 Zr Zr3 1 1.66627793 1.69552409 1.82854788 1 [/CIF]
MoTlZr2
Cmmm
65
orthorhombic
mmm
9,699.085841
false
[CIF] data_Mg2ScSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39774693 _cell_length_b 5.39774693 _cell_length_c 5.37756361 _cell_angle_alpha 110.22470247 _cell_angle_beta 110.22470247 _cell_angle_gamma 34.52993897 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ScSi _chemical_formula_sum 'Mg2 Sc1 Si1' _cell_volume 82.78753244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.92945723 0.00000000 0.15813368 1 Mg Mg1 1 7.22422177 0.00000000 1.09401688 1 Sc Sc2 1 4.30293132 0.00000000 2.89541620 1 Si Si3 1 1.39594553 0.00000000 3.37165905 1 [/CIF]
Mg2ScSi
Cm
8
monoclinic
m
2,440.064539
false
[CIF] data_LaMg2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59666323 _cell_length_b 3.59666323 _cell_length_c 7.60362095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMg2Ge _chemical_formula_sum 'La1 Mg2 Ge1' _cell_volume 98.36033712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.47043053 1 La La1 1 1.79833161 1.79833161 5.52341549 1 Mg Mg2 1 0.00000000 0.00000000 0.35039721 1 Mg Mg3 1 1.79833161 1.79833161 2.06118827 1 [/CIF]
GeLaMg2
P4mm
99
tetragonal
4mm
4,391.99716
false
[CIF] data_LaSb2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87359147 _cell_length_b 3.87359147 _cell_length_c 6.70140342 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSb2Pt _chemical_formula_sum 'La1 Sb2 Pt1' _cell_volume 100.55262078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32760291 1 Pt Pt1 1 1.93679574 1.93679574 5.40894234 1 Sb Sb2 1 0.00000000 0.00000000 6.50380309 1 Sb Sb3 1 1.93679574 1.93679574 1.51316021 1 [/CIF]
LaPtSb2
P4mm
99
tetragonal
4mm
9,537.066551
false
[CIF] data_FeSiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59405949 _cell_length_b 4.59405949 _cell_length_c 4.59405949 _cell_angle_alpha 130.22176433 _cell_angle_beta 130.22176433 _cell_angle_gamma 73.05248621 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSiPd2 _chemical_formula_sum 'Fe1 Si1 Pd2' _cell_volume 55.20315315 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 -0.00000000 0.00000000 3.69171422 1 Pd Pd1 1 -0.00000000 1.93347210 1.84585711 1 Pd Pd2 1 1.93347210 -0.00000000 1.84585711 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FePd2Si
I4/mmm
139
tetragonal
4/mmm
8,927.008349
false
[CIF] data_BeFeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31798837 _cell_length_b 4.31798837 _cell_length_c 4.59724710 _cell_angle_alpha 100.20894226 _cell_angle_beta 100.20894226 _cell_angle_gamma 36.05713815 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeFeIr2 _chemical_formula_sum 'Be1 Fe1 Ir2' _cell_volume 49.56748269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 3.67754552 -0.00000000 2.25834225 1 Ir Ir2 1 5.93896945 -0.00000000 1.11054256 1 Ir Ir3 1 1.41612159 -0.00000000 3.40614194 1 [/CIF]
BeFeIr2
C2/m
12
monoclinic
2/m
15,051.511988
false
[CIF] data_NaLi2Y _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71635152 _cell_length_b 5.71635152 _cell_length_c 3.34541734 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.03133905 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLi2Y _chemical_formula_sum 'Na1 Li2 Y1' _cell_volume 107.96186923 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85564222 -2.17388147 1.67270867 1 Li Li1 1 1.85564221 2.17388147 1.67270867 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.71128443 0.00000000 0.00000000 1 [/CIF]
Li2NaY
Cmmm
65
orthorhombic
mmm
1,934.559414
false
[CIF] data_BiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47600042 _cell_length_b 3.47600042 _cell_length_c 7.88417271 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.84866820 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiPt _chemical_formula_sum 'Bi2 Pt2' _cell_volume 95.14342335 _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 Bi Bi0 1 2.39604852 1.25911978 1.67372724 1 Bi Bi1 1 2.39604852 -1.25911978 6.21044547 1 Pt Pt2 1 2.39604852 1.25911978 4.73081450 1 Pt Pt3 1 2.39604852 -1.25911978 3.15335821 1 [/CIF]
Bi2Pt2
Cmme
67
orthorhombic
mmm
14,104.279581
false
[CIF] data_NaCaSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06428006 _cell_length_b 4.55079964 _cell_length_c 6.43707132 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaSi2 _chemical_formula_sum 'Na1 Ca1 Si2' _cell_volume 89.76447416 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.21853566 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.53214003 2.27539982 1.96299475 1 Si Si3 1 1.53214003 2.27539982 4.47407657 1 [/CIF]
CaNaSi2
Pmmm
47
orthorhombic
mmm
2,205.779474
false
[CIF] data_KTl2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84295685 _cell_length_b 3.84295685 _cell_length_c 8.55440261 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTl2Ir _chemical_formula_sum 'K1 Tl2 Ir1' _cell_volume 126.33413249 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92147843 1.92147843 3.13317186 1 K K1 1 0.00000000 0.00000000 6.26640727 1 Tl Tl2 1 1.92147843 1.92147843 0.44100024 1 Tl Tl3 1 0.00000000 0.00000000 2.99102455 1 [/CIF]
IrKTl2
P4mm
99
tetragonal
4mm
8,413.252854
false
[CIF] data_TiBr2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10714038 _cell_length_b 5.10714038 _cell_length_c 5.10714038 _cell_angle_alpha 125.43761243 _cell_angle_beta 125.43761243 _cell_angle_gamma 80.81444611 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBr2Cl _chemical_formula_sum 'Ti1 Br2 Cl1' _cell_volume 85.24087422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.88886573 1 Br Br1 1 -0.00000000 2.34089793 1.94443287 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 2.34089793 -0.00000000 1.94443287 1 [/CIF]
Br2ClTi
I-4m2
119
tetragonal
-42m
4,736.26703
false
[CIF] data_SnB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13822030 _cell_length_b 3.13822030 _cell_length_c 4.43045354 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnB2 _chemical_formula_sum 'Sn1 B2' _cell_volume 37.78728368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81185234 2.21522677 1 B B1 1 1.56911015 0.90592617 2.21522677 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2Sn
P6/mmm
191
hexagonal
6/mmm
6,166.803893
false
[CIF] data_AcY _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84744232 _cell_length_b 3.84744232 _cell_length_c 5.09218397 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcY _chemical_formula_sum 'Ac1 Y1' _cell_volume 75.37864392 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 1.92372116 1.92372116 2.54609198 1 Y Y1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AcY
P4/mmm
123
tetragonal
4/mmm
6,959.186024
false
[CIF] data_LiMg2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22795685 _cell_length_b 5.22795685 _cell_length_c 4.69488571 _cell_angle_alpha 107.62579940 _cell_angle_beta 107.62579940 _cell_angle_gamma 33.93109746 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMg2Pt _chemical_formula_sum 'Li1 Mg2 Pt1' _cell_volume 67.94279151 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.39182086 -0.00000000 1.09691978 1 Mg Mg1 1 0.00432847 0.00000000 0.15052125 1 Mg Mg2 1 1.24846556 -0.00000000 3.07686574 1 Pt Pt3 1 4.12726486 0.00000000 2.35581395 1 [/CIF]
LiMg2Pt
Cm
8
monoclinic
m
6,125.583004
false
[CIF] data_MnTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98402826 _cell_length_b 2.98402826 _cell_length_c 2.98402826 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTc _chemical_formula_sum 'Mn1 Tc1' _cell_volume 26.57105481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 1.49201413 1.49201413 1.49201413 1 [/CIF]
MnTc
Pm-3m
221
cubic
m-3m
9,614.38606
false
[CIF] data_AlPtBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87945025 _cell_length_b 4.87945025 _cell_length_c 4.87945025 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlPtBr2 _chemical_formula_sum 'Al1 Pt1 Br2' _cell_volume 82.14813066 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.17543854 5.17543854 5.17543854 1 Br Br2 1 1.72514618 1.72514618 1.72514618 1 Pt Pt3 1 3.45029236 3.45029236 3.45029236 1 [/CIF]
AlBr2Pt
Fm-3m
225
cubic
m-3m
7,719.176617
false
[CIF] data_YMgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81681186 _cell_length_b 3.81681186 _cell_length_c 7.44523250 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMgTe2 _chemical_formula_sum 'Y1 Mg1 Te2' _cell_volume 108.46253970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 1.90840593 1.90840593 1.90228445 1 Te Te2 1 1.90840593 1.90840593 5.54294805 1 Y Y3 1 0.00000000 0.00000000 3.72261625 1 [/CIF]
MgTe2Y
P4/mmm
123
tetragonal
4/mmm
5,640.295573
false
[CIF] data_Bi3Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70228456 _cell_length_b 6.70228456 _cell_length_c 6.70228456 _cell_angle_alpha 146.90710314 _cell_angle_beta 61.23177860 _cell_angle_gamma 130.05189276 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi3Te _chemical_formula_sum 'Bi3 Te1' _cell_volume 124.61927063 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90876068 2.98665799 2.62601171 1 Bi Bi1 1 1.90876068 -2.98665799 2.62601171 1 Bi Bi2 1 0.00000000 5.76799163 1.98776838 1 Te Te3 1 -0.00000000 -0.00000000 2.19273089 1 [/CIF]
Bi3Te
Imm2
44
orthorhombic
mm2
10,054.184506
false
[CIF] data_Sr2VPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68970954 _cell_length_b 5.68970954 _cell_length_c 5.68970954 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2VPb _chemical_formula_sum 'Sr2 V1 Pb1' _cell_volume 130.24326992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.02323220 4.02323220 4.02323220 1 Sr Sr1 1 6.03484830 6.03484830 6.03484830 1 Sr Sr2 1 2.01161610 2.01161610 2.01161610 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbSr2V
Fm-3m
225
cubic
m-3m
5,525.405742
false
[CIF] data_RbBaMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77578820 _cell_length_b 5.77578820 _cell_length_c 5.77578820 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbBaMn2 _chemical_formula_sum 'Rb1 Ba1 Mn2' _cell_volume 136.24443701 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.08409900 4.08409900 4.08409900 1 Mn Mn1 1 6.12614850 6.12614850 6.12614850 1 Mn Mn2 1 2.04204950 2.04204950 2.04204950 1 Rb Rb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaMn2Rb
Fm-3m
225
cubic
m-3m
4,054.572952
false
[CIF] data_ZrAl2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20517972 _cell_length_b 3.20517972 _cell_length_c 8.76220278 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAl2Br _chemical_formula_sum 'Zr1 Al2 Br1' _cell_volume 90.01566051 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.64510523 1 Al Al1 1 1.60258986 1.60258986 1.59423671 1 Br Br2 1 0.00000000 0.00000000 4.92902918 1 Zr Zr3 1 1.60258986 1.60258986 6.73713584 1 [/CIF]
Al2BrZr
P4mm
99
tetragonal
4mm
4,152.31425
false
[CIF] data_Pu3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98317628 _cell_length_b 4.98317628 _cell_length_c 4.98317628 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu3Au _chemical_formula_sum 'Pu3 Au1' _cell_volume 87.49913398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pu Pu1 1 1.76181887 1.76181887 1.76181887 1 Pu Pu2 1 5.28545661 5.28545661 5.28545661 1 Pu Pu3 1 3.52363774 3.52363774 3.52363774 1 [/CIF]
AuPu3
Fm-3m
225
cubic
m-3m
17,629.720539
false
[CIF] data_MgInCoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49529618 _cell_length_b 4.49529618 _cell_length_c 4.49529618 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgInCoPt _chemical_formula_sum 'Mg1 In1 Co1 Pt1' _cell_volume 64.23325568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17865441 3.17865441 3.17865441 1 In In1 1 1.58932721 1.58932720 1.58932721 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 4.76798162 4.76798162 4.76798162 1 [/CIF]
CoInMgPt
F-43m
216
cubic
-43m
10,163.34367
false
[CIF] data_KNaGaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00657573 _cell_length_b 5.00657573 _cell_length_c 5.00657573 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaGaTc _chemical_formula_sum 'K1 Na1 Ga1 Tc1' _cell_volume 88.73753729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.31027548 5.31027548 5.31027547 1 K K1 1 1.77009182 1.77009182 1.77009182 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.54018365 3.54018365 3.54018365 1 [/CIF]
GaKNaTc
F-43m
216
cubic
-43m
4,317.395442
false
[CIF] data_TaTiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03777585 _cell_length_b 3.03777585 _cell_length_c 9.54939818 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.51755078 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiSn2 _chemical_formula_sum 'Ta1 Ti1 Sn2' _cell_volume 86.64208565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94211462 -0.00000000 0.28739506 1 Sn Sn1 1 0.00000000 0.00000000 6.88190396 1 Ta Ta2 1 1.94211462 -0.00000000 4.59577450 1 Ti Ti3 1 0.00000000 0.00000000 2.55902366 1 [/CIF]
Sn2TaTi
Cmm2
35
orthorhombic
mm2
8,935.625529
false
[CIF] data_InHg2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42522125 _cell_length_b 5.42522125 _cell_length_c 5.42522125 _cell_angle_alpha 129.60378264 _cell_angle_beta 129.60378264 _cell_angle_gamma 74.04098250 _symmetry_Int_Tables_number 1 _chemical_formula_structural InHg2Au _chemical_formula_sum 'In1 Hg2 Au1' _cell_volume 92.43831527 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30978482 -0.00000000 2.16580319 1 Hg Hg1 1 0.00000000 -0.00000000 4.33160638 1 Hg Hg2 1 0.00000000 2.30978482 2.16580319 1 In In3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuHg2In
I-4m2
119
tetragonal
-42m
12,807.519441
false
[CIF] data_Ba2PPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36923840 _cell_length_b 5.36923840 _cell_length_c 5.36923840 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2PPd _chemical_formula_sum 'Ba2 P1 Pd1' _cell_volume 109.45183925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.79662488 3.79662488 3.79662488 1 Ba Ba1 1 5.69493732 5.69493732 5.69493732 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 1.89831244 1.89831244 1.89831244 1 [/CIF]
Ba2PPd
F-43m
216
cubic
-43m
6,251.34681
false
[CIF] data_La2CdSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11062544 _cell_length_b 4.11062544 _cell_length_c 7.18544180 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2CdSb _chemical_formula_sum 'La2 Cd1 Sb1' _cell_volume 121.41414544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.05531272 2.05531272 1.86945342 1 La La2 1 2.05531272 2.05531272 5.31598838 1 Sb Sb3 1 0.00000000 0.00000000 3.59272090 1 [/CIF]
CdLa2Sb
P4/mmm
123
tetragonal
4/mmm
7,002.199041
false
[CIF] data_PdCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73649747 _cell_length_b 4.23588557 _cell_length_c 6.46656839 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.98781849 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdCl2 _chemical_formula_sum 'Pd2 Cl4' _cell_volume 150.27593370 _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 Cl Cl0 1 4.00698824 3.19790617 1.17578337 1 Cl Cl1 1 0.78484582 1.07996338 1.91642260 1 Cl Cl2 1 -0.15981759 1.03797940 5.00862857 1 Cl Cl3 1 3.06232483 3.15592219 4.26798933 1 Pd Pd4 1 0.00000000 0.00000000 0.00000000 1 Pd Pd5 1 -0.94466341 2.11794278 3.09220597 1 [/CIF]
Cl4Pd2
P2_1/c
14
monoclinic
2/m
3,918.880998
false
[CIF] data_SrTaAlOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73133000 _cell_length_b 4.73133000 _cell_length_c 4.73133000 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTaAlOs _chemical_formula_sum 'Sr1 Ta1 Al1 Os1' _cell_volume 74.89187848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 5.01833329 5.01833329 5.01833329 1 Sr Sr2 1 3.34555553 3.34555553 3.34555553 1 Ta Ta3 1 1.67277776 1.67277776 1.67277776 1 [/CIF]
AlOsSrTa
F-43m
216
cubic
-43m
10,770.936966
false
[CIF] data_K2ScHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57874439 _cell_length_b 3.57874439 _cell_length_c 11.68577228 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ScHg _chemical_formula_sum 'K2 Sc1 Hg1' _cell_volume 149.66449322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.84288614 1 K K1 1 1.78937220 1.78937220 8.49339470 1 K K2 1 1.78937220 1.78937220 3.19237758 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgK2Sc
P4/mmm
123
tetragonal
4/mmm
3,591.948077
false
[CIF] data_FeAgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76232763 _cell_length_b 2.76232763 _cell_length_c 9.40616680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.19965688 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAgAs2 _chemical_formula_sum 'Fe1 Ag1 As2' _cell_volume 71.75759064 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.93270529 0.00000000 2.63859063 1 As As1 1 0.00000000 0.00000000 0.35741910 1 As As2 1 1.93270529 0.00000000 6.42567348 1 Fe Fe3 1 0.00000000 0.00000000 4.68756699 1 [/CIF]
AgAs2Fe
Cmm2
35
orthorhombic
mm2
7,255.994065
false
[CIF] data_LiHfCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16140782 _cell_length_b 4.16140782 _cell_length_c 2.92739227 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfCo _chemical_formula_sum 'Li1 Hf1 Co1' _cell_volume 43.90278913 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.40258994 2.79223755 1 Hf Hf1 1 2.08070389 1.20129498 0.93356354 1 Li Li2 1 0.00000000 0.00000000 2.12898341 1 [/CIF]
CoHfLi
P3m1
156
trigonal
3m
9,242.608509
false
[CIF] data_TiGaCuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75901449 _cell_length_b 4.75901449 _cell_length_c 4.75901449 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGaCuPb _chemical_formula_sum 'Ti1 Ga1 Cu1 Pb1' _cell_volume 76.21423319 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68256571 1.68256571 1.68256571 1 Ga Ga1 1 5.04769713 5.04769713 5.04769713 1 Pb Pb2 1 3.36513142 3.36513142 3.36513142 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuGaPbTi
F-43m
216
cubic
-43m
8,460.979951
false
[CIF] data_KNaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10604549 _cell_length_b 5.10604549 _cell_length_c 5.10604549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaOs _chemical_formula_sum 'K1 Na1 Os1' _cell_volume 94.13238030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80525970 1.80525970 1.80525970 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 5.41577909 5.41577909 5.41577909 1 [/CIF]
KNaOs
F-43m
216
cubic
-43m
4,451.008356
false
[CIF] data_NaInAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44541906 _cell_length_b 5.44541906 _cell_length_c 5.44541906 _cell_angle_alpha 132.88357368 _cell_angle_beta 130.72049744 _cell_angle_gamma 70.55630187 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaInAs2 _chemical_formula_sum 'Na1 In1 As2' _cell_volume 87.86005456 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 -0.00000000 2.27025789 2.20743969 1 As As1 1 2.17642839 -0.00000000 2.23797112 1 In In2 1 0.00000000 0.00000000 4.44541081 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2InNa
Immm
71
orthorhombic
mmm
5,436.551052
false
[CIF] data_AlCrCoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49567810 _cell_length_b 4.49567810 _cell_length_c 4.49567810 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrCoPb _chemical_formula_sum 'Al1 Cr1 Co1 Pb1' _cell_volume 64.24962893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 1.58946224 1.58946224 1.58946223 1 Cr Cr2 1 4.76838671 4.76838671 4.76838670 1 Pb Pb3 1 3.17892447 3.17892447 3.17892447 1 [/CIF]
AlCoCrPb
F-43m
216
cubic
-43m
8,919.42928
false
[CIF] data_TaPb3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54045635 _cell_length_b 5.54045635 _cell_length_c 5.54045635 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPb3Br _chemical_formula_sum 'Ta1 Pb3 Br1' _cell_volume 170.07348580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.77022818 0.00000000 2.77022818 1 Pb Pb1 1 2.77022818 2.77022818 0.00000000 1 Pb Pb2 1 0.00000000 2.77022818 2.77022818 1 Br Br3 1 0.00000000 0.00000000 0.00000000 1 Ta Ta4 1 2.77022818 2.77022818 2.77022818 1 [/CIF]
BrPb3Ta
Pm-3m
221
cubic
m-3m
8,615.956886
false
[CIF] data_VAsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08485763 _cell_length_b 4.08485763 _cell_length_c 4.08485763 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VAsRu _chemical_formula_sum 'V1 As1 Ru1' _cell_volume 48.19653048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44421526 1.44421526 1.44421526 1 Ru Ru1 1 4.33264579 4.33264579 4.33264579 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsRuV
F-43m
216
cubic
-43m
7,818.639107
false
[CIF] data_Hf2CrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48574145 _cell_length_b 4.48574145 _cell_length_c 5.57802524 _cell_angle_alpha 99.56353484 _cell_angle_beta 99.56353484 _cell_angle_gamma 39.63304299 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2CrRh _chemical_formula_sum 'Hf2 Cr1 Rh1' _cell_volume 70.46928728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 6.08062641 -0.00000000 1.33230792 1 Hf Hf2 1 1.37451992 -0.00000000 4.15804701 1 Rh Rh3 1 3.72757317 -0.00000000 2.74517746 1 [/CIF]
CrHf2Rh
C2/m
12
monoclinic
2/m
12,061.983696
false
[CIF] data_Hg2SeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10876080 _cell_length_b 5.10876080 _cell_length_c 3.60431852 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2SeCl _chemical_formula_sum 'Hg2 Se1 Cl1' _cell_volume 94.07068382 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 2.55438040 1.80215926 1 Hg Hg2 1 2.55438040 0.00000000 1.80215926 1 Se Se3 1 2.55438040 2.55438040 0.00000000 1 [/CIF]
ClHg2Se
P4/mmm
123
tetragonal
4/mmm
9,101.266029
false
[CIF] data_MgBe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10007143 _cell_length_b 3.20355283 _cell_length_c 7.68357693 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBe2Br _chemical_formula_sum 'Mg1 Be2 Br1' _cell_volume 76.30746655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55003572 1.60177641 7.28698818 1 Be Be1 1 0.00000000 0.00000000 6.86401334 1 Br Br2 1 1.55003572 1.60177641 3.31164448 1 Mg Mg3 1 0.00000000 0.00000000 1.74629632 1 [/CIF]
Be2BrMg
Pmm2
25
orthorhombic
mm2
2,659.939916
false
[CIF] data_BaScCdRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07856723 _cell_length_b 5.07856723 _cell_length_c 5.07856723 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScCdRe _chemical_formula_sum 'Ba1 Sc1 Cd1 Re1' _cell_volume 92.62081993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79554467 1.79554466 1.79554467 1 Cd Cd1 1 5.38663400 5.38663400 5.38663399 1 Re Re2 1 3.59108933 3.59108933 3.59108933 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCdReSc
F-43m
216
cubic
-43m
8,621.762927
false
[CIF] data_CrFe4As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71207160 _cell_length_b 4.71207160 _cell_length_c 4.71207160 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFe4As _chemical_formula_sum 'Cr1 Fe4 As1' _cell_volume 73.98107613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.99790667 4.99790667 4.99790667 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 4.16959625 4.16959625 2.49427931 1 Fe Fe3 1 4.16959625 2.49427931 4.16959625 1 Fe Fe4 1 2.49427931 4.16959625 4.16959625 1 Fe Fe5 1 2.49427931 2.49427931 2.49427931 1 [/CIF]
AsCrFe4
F-43m
216
cubic
-43m
7,862.591979
false
[CIF] data_Cs5GeP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.46526589 _cell_length_b 6.01199092 _cell_length_c 15.98184815 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs5GeP3 _chemical_formula_sum 'Cs20 Ge4 P12' _cell_volume 1389.86217849 _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 0.88041004 1.50299773 0.81524270 1 Cs Cs1 1 9.39096084 4.50899319 0.75431223 1 Cs Cs2 1 7.85106530 1.50299773 2.31683131 1 Cs Cs3 1 12.82251218 4.50899319 2.99644214 1 Cs Cs4 1 3.90952148 1.50299773 3.33933701 1 Cs Cs5 1 11.14215443 1.50299773 4.65158706 1 Cs Cs6 1 5.58987924 4.50899319 4.99448193 1 Cs Cs7 1 0.61843236 1.50299773 5.67409276 1 Cs Cs8 1 2.15832790 4.50899319 7.23661185 1 Cs Cs9 1 8.11304298 1.50299773 7.17568137 1 Cs Cs10 1 6.35222291 4.50899319 8.80616678 1 Cs Cs11 1 12.30693799 1.50299773 8.74523630 1 Cs Cs12 1 13.84683353 4.50899319 10.30775539 1 Cs Cs13 1 8.87538665 1.50299773 10.98736622 1 Cs Cs14 1 3.32311146 4.50899319 11.33026109 1 Cs Cs15 1 10.55574441 4.50899319 12.64251114 1 Cs Cs16 1 1.64275371 1.50299773 12.98540601 1 Cs Cs17 1 6.61420059 4.50899319 13.66501684 1 Cs Cs18 1 5.07430505 1.50299773 15.22753592 1 Cs Cs19 1 13.58485585 4.50899319 15.16660545 1 Ge Ge20 1 3.46159440 4.50899319 1.02715114 1 Ge Ge21 1 10.69422734 4.50899319 6.96377293 1 Ge Ge22 1 3.77103855 1.50299773 9.01807522 1 Ge Ge23 1 11.00367149 1.50299773 14.95469701 1 P P24 1 11.66244241 1.50299773 1.16521577 1 P P25 1 5.72439811 4.50899319 1.41142397 1 P P26 1 1.93763481 4.50899319 2.73596327 1 P P27 1 9.17026775 4.50899319 5.25496081 1 P P28 1 12.95703106 4.50899319 6.57950010 1 P P29 1 4.42980947 1.50299773 6.82570830 1 P P30 1 10.03545642 4.50899319 9.15613985 1 P P31 1 1.50823483 1.50299773 9.40234805 1 P P32 1 5.29499814 1.50299773 10.72688734 1 P P33 1 12.52763108 1.50299773 13.24588488 1 P P34 1 8.74086778 1.50299773 14.57042418 1 P P35 1 2.80282348 4.50899319 14.81663238 1 [/CIF]
Cs20Ge4P12
Pnma
62
orthorhombic
mmm
3,966.996095
false
[CIF] data_NpFe2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44899029 _cell_length_b 4.44899029 _cell_length_c 4.44899029 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpFe2Hg _chemical_formula_sum 'Np1 Fe2 Hg1' _cell_volume 62.26863949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 4.71886681 4.71886681 4.71886681 1 Fe Fe1 1 1.57295560 1.57295560 1.57295560 1 Hg Hg2 1 0.00000000 0.00000000 0.00000000 1 Np Np3 1 3.14591121 3.14591121 3.14591121 1 [/CIF]
Fe2HgNp
Fm-3m
225
cubic
m-3m
14,647.837274
false
[CIF] data_NaSrRhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14866775 _cell_length_b 5.14866775 _cell_length_c 5.14866775 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrRhPb _chemical_formula_sum 'Na1 Sr1 Rh1 Pb1' _cell_volume 96.50939733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 5.46098682 5.46098682 5.46098682 1 Rh Rh2 1 3.64065788 3.64065788 3.64065788 1 Sr Sr3 1 1.82032894 1.82032894 1.82032894 1 [/CIF]
NaPbRhSr
F-43m
216
cubic
-43m
7,238.819844
false
[CIF] data_TePb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55343841 _cell_length_b 5.55343841 _cell_length_c 5.55343841 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TePb2Br _chemical_formula_sum 'Te1 Pb2 Br1' _cell_volume 121.10745611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.92687396 3.92687396 3.92687396 1 Pb Pb2 1 1.96343698 1.96343698 1.96343698 1 Te Te3 1 5.89031094 5.89031094 5.89031094 1 [/CIF]
BrPb2Te
F-43m
216
cubic
-43m
8,527.104117
false
[CIF] data_LiLaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28373964 _cell_length_b 4.28373964 _cell_length_c 4.30278918 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaAu _chemical_formula_sum 'Li1 La1 Au1' _cell_volume 68.37964370 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14186984 1.23660910 0.29705381 1 La La1 1 0.00000002 2.47321822 0.70015919 1 Li Li2 1 0.00000000 0.00000000 3.30557618 1 [/CIF]
AuLaLi
P3m1
156
trigonal
3m
8,324.910936
false
[CIF] data_Cd2SnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92010417 _cell_length_b 4.92010417 _cell_length_c 4.92010417 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2SnPd _chemical_formula_sum 'Cd2 Sn1 Pd1' _cell_volume 84.21857617 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.21855853 5.21855853 5.21855853 1 Cd Cd1 1 1.73951951 1.73951951 1.73951951 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.47903902 3.47903902 3.47903902 1 [/CIF]
Cd2PdSn
Fm-3m
225
cubic
m-3m
8,871.711065
false
[CIF] data_AgOsWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53263376 _cell_length_b 4.53263376 _cell_length_c 4.53263376 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgOsWAu _chemical_formula_sum 'Ag1 Os1 W1 Au1' _cell_volume 65.84713603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 1.60252804 1.60252804 1.60252804 1 Os Os2 1 4.80758411 4.80758411 4.80758411 1 W W3 1 3.20505607 3.20505607 3.20505607 1 [/CIF]
AgAuOsW
F-43m
216
cubic
-43m
17,120.682227
false
[CIF] data_SnBiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51027590 _cell_length_b 3.51027590 _cell_length_c 9.80754327 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.58623058 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnBiCl2 _chemical_formula_sum 'Sn1 Bi1 Cl2' _cell_volume 104.03451695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 4.90377163 1 Cl Cl1 1 1.73956300 0.00000000 7.34155519 1 Cl Cl2 1 1.73956300 0.00000000 2.46598808 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCl2Sn
Cmmm
65
orthorhombic
mmm
6,362.166264
false
[CIF] data_VHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75513620 _cell_length_b 4.75513620 _cell_length_c 3.16346718 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VHg2 _chemical_formula_sum 'V1 Hg2' _cell_volume 61.94694399 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.74537916 2.06471835 1 Hg Hg1 1 2.37756810 1.37268958 1.09874884 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2V
P-3m1
164
trigonal
-3m
12,119.490732
false
[CIF] data_AlHg2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04338969 _cell_length_b 3.04338969 _cell_length_c 9.21356576 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.72834176 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHg2Pt _chemical_formula_sum 'Al1 Hg2 Pt1' _cell_volume 79.27477249 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 1.70781852 0.00000000 2.36357777 1 Hg Hg2 1 1.70781852 0.00000000 6.84998799 1 Pt Pt3 1 0.00000000 0.00000000 4.60678288 1 [/CIF]
AlHg2Pt
Cmmm
65
orthorhombic
mmm
13,054.891644
false
[CIF] data_ZnAs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58955367 _cell_length_b 4.58955367 _cell_length_c 4.58955367 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAs2Pt _chemical_formula_sum 'Zn1 As2 Pt1' _cell_volume 68.35910367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86795678 4.86795678 4.86795678 1 As As1 1 1.62265226 1.62265226 1.62265226 1 Pt Pt2 1 3.24530452 3.24530452 3.24530452 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2PtZn
Fm-3m
225
cubic
m-3m
9,966.940733
false
[CIF] data_NaCa2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91153121 _cell_length_b 3.91659528 _cell_length_c 8.79625555 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.73720756 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCa2Cd _chemical_formula_sum 'Na1 Ca2 Cd1' _cell_volume 134.74646615 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.94165035 1.95829764 2.56759292 1 Ca Ca1 1 1.85670521 1.95829764 6.22793452 1 Cd Cd2 1 -0.05658783 0.00000000 4.39776372 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2CdNa
P2/m
10
monoclinic
2/m
2,656.399434
false
[CIF] data_NaGeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87783789 _cell_length_b 3.92046332 _cell_length_c 6.80592626 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGeCl2 _chemical_formula_sum 'Na1 Ge1 Cl2' _cell_volume 103.46996068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.93891895 0.00000000 3.40296313 1 Cl Cl1 1 1.93891895 1.96023166 0.00000000 1 Ge Ge2 1 0.00000000 1.96023166 3.40296313 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2GeNa
Pmmm
47
orthorhombic
mmm
2,672.651551
false
[CIF] data_ZrGeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53483437 _cell_length_b 7.44411809 _cell_length_c 3.12731962 _cell_angle_alpha 79.57964054 _cell_angle_beta 76.32836311 _cell_angle_gamma 24.09199635 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGeSb _chemical_formula_sum 'Zr1 Ge1 Sb1' _cell_volume 69.30503155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 2.05198600 2.35997489 0.30814882 1 Sb Sb1 1 2.05198600 2.35997489 4.57171390 1 Zr Zr2 1 2.05198600 2.35997489 9.43156580 1 [/CIF]
GeSbZr
Fmm2
42
orthorhombic
mm2
6,843.511932
false
[CIF] data_InGeCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00069254 _cell_length_b 6.00069254 _cell_length_c 6.00069254 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InGeCl4 _chemical_formula_sum 'In1 Ge1 Cl4' _cell_volume 152.78795875 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 3.18147869 3.18147869 5.30478209 1 Cl Cl1 1 3.18147869 5.30478209 3.18147869 1 Cl Cl2 1 5.30478209 3.18147869 3.18147869 1 Cl Cl3 1 5.30478209 5.30478209 5.30478209 1 Ge Ge4 1 0.00000000 0.00000000 0.00000000 1 In In5 1 2.12156520 2.12156520 2.12156520 1 [/CIF]
Cl4GeIn
F-43m
216
cubic
-43m
3,578.591552
false
[CIF] data_Ba2TlP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13586987 _cell_length_b 4.13586987 _cell_length_c 8.08827313 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TlP _chemical_formula_sum 'Ba2 Tl1 P1' _cell_volume 138.35330552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06793493 2.06793493 6.40792824 1 Ba Ba1 1 2.06793493 2.06793493 1.68034489 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 4.04413657 1 [/CIF]
Ba2PTl
P4/mmm
123
tetragonal
4/mmm
6,121.411505
false