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_ErTlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70203510 _cell_length_b 4.70203510 _cell_length_c 7.11395419 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErTlZn _chemical_formula_sum 'Er2 Tl2 Zn2' _cell_volume 136.21139159 _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 Er Er0 1 0.00000000 0.00000000 3.55697710 1 Er Er1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 -0.00000000 2.71472123 5.33546564 1 Tl Tl3 1 2.35101755 1.35736062 1.77848855 1 Zn Zn4 1 2.35101755 1.35736062 5.33546564 1 Zn Zn5 1 -0.00000000 2.71472123 1.77848855 1 [/CIF]
Er2Tl2Zn2
P6_3/mmc
194
hexagonal
6/mmm
10,655.434955
false
[CIF] data_KLiTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04732607 _cell_length_b 6.04732607 _cell_length_c 2.57670983 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 129.65846482 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiTc2 _chemical_formula_sum 'K1 Li1 Tc2' _cell_volume 72.54465214 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.57203416 -0.00000000 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.28601708 2.73654859 1.28835491 1 Tc Tc3 1 1.28601708 -2.73654859 1.28835491 1 [/CIF]
KLiTc2
Cmmm
65
orthorhombic
mmm
5,581.738452
false
[CIF] data_BaSc2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84142444 _cell_length_b 6.84142444 _cell_length_c 5.68682562 _cell_angle_alpha 113.11237100 _cell_angle_beta 113.11237100 _cell_angle_gamma 29.56107942 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSc2Br _chemical_formula_sum 'Ba1 Sc2 Br1' _cell_volume 120.00835397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.46070435 0.00000000 2.59855733 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.95991972 0.00000000 4.04446151 1 Sc Sc3 1 8.96148898 0.00000000 1.15265314 1 [/CIF]
BaBrSc2
C2/m
12
monoclinic
2/m
4,249.892957
false
[CIF] data_CaMnFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99458126 _cell_length_b 5.99458126 _cell_length_c 5.99458126 _cell_angle_alpha 150.10432219 _cell_angle_beta 150.10432219 _cell_angle_gamma 42.78829091 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnFe _chemical_formula_sum 'Ca1 Mn1 Fe1' _cell_volume 53.37840778 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 -0.00000000 0.00000000 0.02349661 1 Fe Fe1 1 0.00000000 0.00000000 7.93955732 1 Mn Mn2 1 -0.00000000 0.00000000 3.19997251 1 [/CIF]
CaFeMn
I4mm
107
tetragonal
4mm
4,693.333051
false
[CIF] data_KVSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10161785 _cell_length_b 4.48745898 _cell_length_c 8.68946889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KVSn2 _chemical_formula_sum 'K1 V1 Sn2' _cell_volume 120.94335498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.59082981 1 Sn Sn1 1 1.55080892 2.24372949 0.37276770 1 Sn Sn2 1 0.00000000 0.00000000 3.11268272 1 V V3 1 1.55080892 2.24372949 2.95792319 1 [/CIF]
KSn2V
Pmm2
25
orthorhombic
mm2
4,495.987322
false
[CIF] data_HfMnBeTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60785326 _cell_length_b 4.60785326 _cell_length_c 4.60785326 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnBeTl _chemical_formula_sum 'Hf1 Mn1 Be1 Tl1' _cell_volume 69.18005838 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 4.88736643 4.88736643 4.88736643 1 Mn Mn2 1 1.62912215 1.62912214 1.62912214 1 Tl Tl3 1 3.25824429 3.25824429 3.25824429 1 [/CIF]
BeHfMnTl
F-43m
216
cubic
-43m
10,725.170516
false
[CIF] data_TlTcIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05336968 _cell_length_b 4.05336968 _cell_length_c 3.98962474 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTcIr2 _chemical_formula_sum 'Tl1 Tc1 Ir2' _cell_volume 65.54875954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 2.02668484 0.00000000 1.99481237 1 Ir Ir1 1 0.00000000 2.02668484 1.99481237 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.02668484 2.02668484 0.00000000 1 [/CIF]
Ir2TcTl
P4/mmm
123
tetragonal
4/mmm
17,422.01907
false
[CIF] data_SmPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54726441 _cell_length_b 4.54726441 _cell_length_c 4.54726441 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmPt _chemical_formula_sum 'Sm1 Pt1' _cell_volume 66.48682983 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.60770075 1.60770075 1.60770075 1 Sm Sm1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtSm
F-43m
216
cubic
-43m
8,627.622325
false
[CIF] data_SmScNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97850947 _cell_length_b 4.97850947 _cell_length_c 4.97850947 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmScNb2 _chemical_formula_sum 'Sm1 Sc1 Nb2' _cell_volume 87.25353150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.28050670 5.28050670 5.28050670 1 Nb Nb1 1 1.76016890 1.76016890 1.76016890 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sm Sm3 1 3.52033780 3.52033780 3.52033780 1 [/CIF]
Nb2ScSm
Fm-3m
225
cubic
m-3m
7,253.334489
false
[CIF] data_NpV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.52048052 _cell_length_b 2.52048052 _cell_length_c 4.98409358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpV _chemical_formula_sum 'Np1 V1' _cell_volume 31.66305960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Np Np0 1 1.26024026 1.26024026 2.49204679 1 V V1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NpV
P4/mmm
123
tetragonal
4/mmm
15,100.818293
false
[CIF] data_K2PdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44499019 _cell_length_b 3.44499019 _cell_length_c 10.60312018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2PdPb _chemical_formula_sum 'K2 Pd1 Pb1' _cell_volume 125.83737870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72249509 1.72249509 2.25025428 1 K K1 1 1.72249509 1.72249509 8.35286590 1 Pb Pb2 1 0.00000000 0.00000000 5.30156009 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2PbPd
P4/mmm
123
tetragonal
4/mmm
5,170.377657
false
[CIF] data_In3Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03028002 _cell_length_b 5.03028002 _cell_length_c 5.45299894 _cell_angle_alpha 104.81429035 _cell_angle_beta 104.81429035 _cell_angle_gamma 39.74080271 _symmetry_Int_Tables_number 1 _chemical_formula_structural In3Co _chemical_formula_sum 'In3 Co1' _cell_volume 84.89076409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.98953440 -0.00000000 2.62380066 1 In In2 1 1.43950153 -0.00000000 4.15343289 1 In In3 1 6.53956727 -0.00000000 1.09416843 1 [/CIF]
CoIn3
C2/m
12
monoclinic
2/m
7,890.613349
false
[CIF] data_TlAg2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33301389 _cell_length_b 5.33301389 _cell_length_c 3.30604871 _cell_angle_alpha 91.26199263 _cell_angle_beta 91.26199263 _cell_angle_gamma 103.64454027 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAg2Sn _chemical_formula_sum 'Tl1 Ag2 Sn1' _cell_volume 91.31577942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58927536 2.09613365 1.65197466 1 Ag Ag1 1 1.58927536 -2.09613365 1.65197466 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.29635133 0.00000000 0.00000000 1 [/CIF]
Ag2SnTl
C2/m
12
monoclinic
2/m
9,798.391611
false
[CIF] data_Ba2AsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06305865 _cell_length_b 4.07408452 _cell_length_c 8.42506960 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.33939411 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2AsBr _chemical_formula_sum 'Ba2 As1 Br1' _cell_volume 139.42413101 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 1.96074663 2.03704226 1.78745971 1 Ba Ba2 1 1.90537847 2.03704226 6.63530795 1 Br Br3 1 -0.09846677 0.00000000 4.21138383 1 [/CIF]
AsBa2Br
P2/m
10
monoclinic
2/m
5,115.094847
false
[CIF] data_TiNbTcSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60608203 _cell_length_b 4.60608203 _cell_length_c 4.60608203 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbTcSn _chemical_formula_sum 'Ti1 Nb1 Tc1 Sn1' _cell_volume 69.10031182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62849592 1.62849592 1.62849592 1 Sn Sn1 1 4.88548776 4.88548776 4.88548776 1 Tc Tc2 1 3.25699184 3.25699184 3.25699184 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbSnTcTi
F-43m
216
cubic
-43m
8,612.4054
false
[CIF] data_NaBeTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96629741 _cell_length_b 4.96629741 _cell_length_c 4.96629741 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBeTl2 _chemical_formula_sum 'Na1 Be1 Tl2' _cell_volume 86.61301842 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 3.51170258 3.51170258 3.51170258 1 Tl Tl2 1 5.26755386 5.26755386 5.26755386 1 Tl Tl3 1 1.75585129 1.75585129 1.75585129 1 [/CIF]
BeNaTl2
Fm-3m
225
cubic
m-3m
8,450.385543
false
[CIF] data_LaSb2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31663983 _cell_length_b 3.66637101 _cell_length_c 7.71082998 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSb2Ir _chemical_formula_sum 'La1 Sb2 Ir1' _cell_volume 93.76394025 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 3.85541499 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 1.65831992 1.83318550 2.31565678 1 Sb Sb3 1 1.65831992 1.83318550 5.39517320 1 [/CIF]
IrLaSb2
Pmmm
47
orthorhombic
mmm
10,176.793639
false
[CIF] data_ZrSi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41099401 _cell_length_b 5.41099401 _cell_length_c 3.80849678 _cell_angle_alpha 109.42258726 _cell_angle_beta 109.42258726 _cell_angle_gamma 40.81032004 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSi2Au _chemical_formula_sum 'Zr1 Si2 Au1' _cell_volume 68.13599077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.41018062 -0.00000000 2.68381125 1 Si Si1 1 0.21686598 -0.00000000 0.01839883 1 Si Si2 1 7.24736458 -0.00000000 0.96398207 1 Zr Zr3 1 4.31310051 -0.00000000 1.67490277 1 [/CIF]
AuSi2Zr
Cm
8
monoclinic
m
8,392.419805
false
[CIF] data_ReB2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04855333 _cell_length_b 3.15745191 _cell_length_c 4.78734779 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReB2W _chemical_formula_sum 'Re1 B2 W1' _cell_volume 46.08138469 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.52427666 0.00000000 2.39367390 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 0.00000000 1.57872595 2.39367390 1 W W3 1 1.52427666 1.57872595 0.00000000 1 [/CIF]
B2ReW
Pmmm
47
orthorhombic
mmm
14,113.761557
false
[CIF] data_TaCdFePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70728143 _cell_length_b 4.70728143 _cell_length_c 4.70728143 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCdFePb _chemical_formula_sum 'Ta1 Cd1 Fe1 Pb1' _cell_volume 73.75568379 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66427531 1.66427531 1.66427531 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 4.99282593 4.99282593 4.99282593 1 Ta Ta3 1 3.32855062 3.32855062 3.32855062 1 [/CIF]
CdFePbTa
F-43m
216
cubic
-43m
12,526.904126
false
[CIF] data_CrSi2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75122433 _cell_length_b 3.77604871 _cell_length_c 5.02942922 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.90438857 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSi2Ru _chemical_formula_sum 'Cr1 Si2 Ru1' _cell_volume 52.18240295 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 1.24819299 0.00000000 2.51148441 1 Si Si2 1 0.76467831 1.88802435 3.84539295 1 Si Si3 1 1.73170768 1.88802435 1.17757587 1 [/CIF]
CrRuSi2
P2/m
10
monoclinic
2/m
6,658.305465
false
[CIF] data_YFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94841925 _cell_length_b 4.94841925 _cell_length_c 5.32101288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFe2 _chemical_formula_sum 'Y2 Fe4' _cell_volume 130.29486060 _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 Fe Fe0 1 1.74830861 1.74830861 0.00000000 1 Fe Fe1 1 3.20011064 3.20011064 0.00000000 1 Fe Fe2 1 4.22251824 0.72590101 2.66050644 1 Fe Fe3 1 0.72590101 4.22251824 2.66050644 1 Y Y4 1 0.00000000 0.00000000 0.00000000 1 Y Y5 1 2.47420962 2.47420962 2.66050644 1 [/CIF]
Fe4Y2
P4_2/mnm
136
tetragonal
4/mmm
5,112.975968
false
[CIF] data_Ta2TlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94834469 _cell_length_b 4.13319263 _cell_length_c 6.02695155 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.93598725 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TlPt _chemical_formula_sum 'Ta2 Tl1 Pt1' _cell_volume 73.43509306 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 1.43865336 2.06659631 1.38416706 1 Ta Ta2 1 1.41123907 2.06659631 4.64198031 1 Tl Tl3 1 -0.04922613 0.00000000 3.01307369 1 [/CIF]
PtTa2Tl
P2/m
10
monoclinic
2/m
17,216.198038
false
[CIF] data_KHfTaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84267210 _cell_length_b 4.84267210 _cell_length_c 4.84267210 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfTaOs _chemical_formula_sum 'K1 Hf1 Ta1 Os1' _cell_volume 80.30455743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.71214314 1.71214314 1.71214314 1 K K1 1 0.00000000 -0.00000000 0.00000000 1 Os Os2 1 5.13642942 5.13642942 5.13642942 1 Ta Ta3 1 3.42428628 3.42428628 3.42428628 1 [/CIF]
HfKOsTa
F-43m
216
cubic
-43m
12,174.517541
false
[CIF] data_TaCr2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.92444004 _cell_length_b 8.92444004 _cell_length_c 8.92444004 _cell_angle_alpha 18.75157529 _cell_angle_beta 18.75157529 _cell_angle_gamma 18.75157529 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCr2Au _chemical_formula_sum 'Ta1 Cr2 Au1' _cell_volume 64.18014997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.14767801 1 Cr Cr1 1 -0.00000000 -0.00000000 6.65136481 1 Cr Cr2 1 0.00000000 -0.00000000 19.64399120 1 Ta Ta3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
AuCr2Ta
R-3m
166
trigonal
-3m
12,468.416121
false
[CIF] data_K2CaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36411796 _cell_length_b 3.36411796 _cell_length_c 12.32174739 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CaIr _chemical_formula_sum 'K2 Ca1 Ir1' _cell_volume 139.44878419 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 0.00000000 0.00000000 6.16087370 1 K K2 1 1.68205898 1.68205898 8.36577141 1 K K3 1 1.68205898 1.68205898 3.95597598 1 [/CIF]
CaIrK2
P4/mmm
123
tetragonal
4/mmm
3,697.295998
false
[CIF] data_Mn2CrBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00924102 _cell_length_b 2.93454178 _cell_length_c 7.05094011 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.50646248 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CrBr _chemical_formula_sum 'Mn2 Cr1 Br1' _cell_volume 61.01365388 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35479655 1.46727089 3.41358260 1 Cr Cr1 1 1.30631506 0.00000000 1.31385247 1 Mn Mn2 1 2.82397284 1.46727089 0.16628904 1 Mn Mn3 1 -0.07174792 0.00000000 5.47012360 1 [/CIF]
BrCrMn2
Pm
6
monoclinic
m
6,580.146956
false
[CIF] data_MgTaHgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66142605 _cell_length_b 4.66142605 _cell_length_c 4.66142605 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaHgPt _chemical_formula_sum 'Mg1 Ta1 Hg1 Pt1' _cell_volume 71.62116792 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 3.29612597 3.29612597 3.29612597 1 Mg Mg1 1 -0.00000000 -0.00000000 0.00000000 1 Pt Pt2 1 4.94418895 4.94418896 4.94418896 1 Ta Ta3 1 1.64806298 1.64806298 1.64806298 1 [/CIF]
HgMgPtTa
F-43m
216
cubic
-43m
13,932.508912
false
[CIF] data_CoNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63394728 _cell_length_b 4.63394728 _cell_length_c 8.38312587 _cell_angle_alpha 116.88922610 _cell_angle_beta 116.88922610 _cell_angle_gamma 30.27264082 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoNi _chemical_formula_sum 'Co4 Ni4' _cell_volume 80.17170049 _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 Co Co0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 1.52743165 -0.00000000 5.55456999 1 Co Co2 1 -1.52742487 -0.00000000 7.09750144 1 Co Co3 1 0.43640515 0.00000000 3.39445415 1 Ni Ni4 1 -1.96383397 -0.00000000 3.70304851 1 Ni Ni5 1 3.49126668 -0.00000000 1.85152703 1 Ni Ni6 1 3.92767579 -0.00000000 5.24597995 1 Ni Ni7 1 5.89150581 -0.00000000 1.54293267 1 [/CIF]
Co4Ni4
Cm
8
monoclinic
m
9,745.261985
false
[CIF] data_MgSb2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00194131 _cell_length_b 5.00194131 _cell_length_c 5.00194131 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSb2Pt _chemical_formula_sum 'Mg1 Sb2 Pt1' _cell_volume 88.49134118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 5.30535993 5.30535993 5.30535993 1 Sb Sb2 1 3.53690662 3.53690662 3.53690662 1 Sb Sb3 1 1.76845331 1.76845331 1.76845331 1 [/CIF]
MgPtSb2
F-43m
216
cubic
-43m
8,686.482412
false
[CIF] data_CdHgB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51967466 _cell_length_b 4.51967466 _cell_length_c 4.51967466 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdHgB2 _chemical_formula_sum 'Cd1 Hg1 B2' _cell_volume 65.28396512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 4.79383890 4.79383890 4.79383890 1 Cd Cd2 1 3.19589260 3.19589260 3.19589260 1 Hg Hg3 1 1.59794630 1.59794630 1.59794630 1 [/CIF]
B2CdHg
F-43m
216
cubic
-43m
8,511.348277
false
[CIF] data_CeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.55404237 _cell_length_b 15.55404237 _cell_length_c 15.06584635 _cell_angle_alpha 98.67401825 _cell_angle_beta 98.67401825 _cell_angle_gamma 111.33640268 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeSe2 _chemical_formula_sum 'Ce12 Se24' _cell_volume 3271.40288348 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 2.58144150 6.26120476 12.96339852 1 Ce Ce1 1 2.58144150 -6.26120476 12.96339852 1 Ce Ce2 1 10.93434367 -6.26120476 1.55381122 1 Ce Ce3 1 10.93434367 6.26120476 1.55381122 1 Ce Ce4 1 12.79984694 -2.57249533 4.82020591 1 Ce Ce5 1 12.79984694 2.57249533 4.82020591 1 Ce Ce6 1 0.71593824 2.57249533 9.69700383 1 Ce Ce7 1 0.71593824 -2.57249533 9.69700383 1 Ce Ce8 1 4.24763080 10.25118974 10.02533056 1 Ce Ce9 1 4.24763080 -10.25118974 10.02533056 1 Ce Ce10 1 9.26815438 -10.25118974 4.49187918 1 Ce Ce11 1 9.26815438 10.25118974 4.49187918 1 Se Se12 1 8.77223787 5.69675436 0.00000000 1 Se Se13 1 8.77223787 -5.69675436 0.00000000 1 Se Se14 1 11.25214222 -4.16909054 3.25465477 1 Se Se15 1 11.25214222 4.16909054 3.25465477 1 Se Se16 1 2.26364296 4.16909054 11.26255497 1 Se Se17 1 2.26364296 -4.16909054 11.26255497 1 Se Se18 1 12.48687489 0.00000000 10.62565318 1 Se Se19 1 1.02891029 0.00000000 3.89155655 1 Se Se20 1 2.78897910 8.63854905 11.66446769 1 Se Se21 1 2.78897910 -8.63854905 11.66446769 1 Se Se22 1 10.72680608 -8.63854905 2.85274204 1 Se Se23 1 10.72680608 8.63854905 2.85274204 1 Se Se24 1 6.90602716 9.77617627 10.42159841 1 Se Se25 1 6.90602716 -9.77617627 10.42159841 1 Se Se26 1 6.60975801 -9.77617627 4.09561132 1 Se Se27 1 6.60975801 9.77617627 4.09561132 1 Se Se28 1 12.33783420 -3.14938570 7.44683748 1 Se Se29 1 12.33783420 3.14938570 7.44683748 1 Se Se30 1 1.17795097 3.14938570 7.07037226 1 Se Se31 1 1.17795097 -3.14938570 7.07037226 1 Se Se32 1 4.38611893 6.42215067 0.00000000 1 Se Se33 1 4.38611893 -6.42215067 0.00000000 1 Se Se34 1 12.20337238 0.00000000 4.18201906 1 Se Se35 1 1.31241280 -0.00000000 10.33519067 1 [/CIF]
Ce12Se24
C2/m
12
monoclinic
2/m
1,815.369512
false
[CIF] data_MgTlCdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82491796 _cell_length_b 4.82491796 _cell_length_c 4.82491796 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlCdPt _chemical_formula_sum 'Mg1 Tl1 Cd1 Pt1' _cell_volume 79.42455727 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70586610 1.70586610 1.70586611 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.41173221 3.41173221 3.41173221 1 Tl Tl3 1 5.11759831 5.11759831 5.11759831 1 [/CIF]
CdMgPtTl
F-43m
216
cubic
-43m
11,210.050734
false
[CIF] data_ZrBiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40749380 _cell_length_b 3.40749380 _cell_length_c 7.76509866 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBiAu2 _chemical_formula_sum 'Zr1 Bi1 Au2' _cell_volume 90.16066923 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.70374690 1.70374690 7.74941930 1 Au Au1 1 0.00000000 0.00000000 1.58812667 1 Bi Bi2 1 1.70374690 1.70374690 3.88594897 1 Zr Zr3 1 0.00000000 0.00000000 6.18925171 1 [/CIF]
Au2BiZr
P4mm
99
tetragonal
4mm
12,784.316147
false
[CIF] data_TaB4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41962069 _cell_length_b 4.41962069 _cell_length_c 4.41962069 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaB4Se _chemical_formula_sum 'Ta1 B4 Se1' _cell_volume 61.04358008 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.48858612 2.48858612 3.76170140 1 B B1 1 2.48858612 3.76170140 2.48858612 1 B B2 1 3.76170140 2.48858612 2.48858612 1 B B3 1 3.76170140 3.76170140 3.76170140 1 Se Se4 1 0.00000000 0.00000000 0.00000000 1 Ta Ta5 1 1.56257188 1.56257188 1.56257188 1 [/CIF]
B4SeTa
F-43m
216
cubic
-43m
8,246.494377
false
[CIF] data_VCdBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17794961 _cell_length_b 5.17794961 _cell_length_c 5.17794961 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCdBr2 _chemical_formula_sum 'V1 Cd1 Br2' _cell_volume 98.16540454 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.49204492 5.49204492 5.49204492 1 Br Br1 1 3.66136328 3.66136328 3.66136328 1 Cd Cd2 1 1.83068164 1.83068164 1.83068164 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2CdV
F-43m
216
cubic
-43m
5,466.494409
false
[CIF] data_KHfMgIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34294802 _cell_length_b 5.34294802 _cell_length_c 5.34294802 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfMgIn _chemical_formula_sum 'K1 Hf1 Mg1 In1' _cell_volume 107.85191248 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.66705217 5.66705217 5.66705217 1 In In1 1 3.77803478 3.77803478 3.77803478 1 K K2 1 1.88901739 1.88901739 1.88901739 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfInKMg
F-43m
216
cubic
-43m
5,492.095926
false
[CIF] data_La2AgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71563125 _cell_length_b 3.71563125 _cell_length_c 8.71447443 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2AgSn _chemical_formula_sum 'La2 Ag1 Sn1' _cell_volume 120.31129812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.29064106 1 La La1 1 1.85781562 1.85781562 8.23732968 1 La La2 1 0.00000000 0.00000000 2.52466986 1 Sn Sn3 1 1.85781562 1.85781562 4.73354548 1 [/CIF]
AgLa2Sn
P4mm
99
tetragonal
4mm
6,961.591803
false
[CIF] data_FeAg2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31312112 _cell_length_b 6.31312112 _cell_length_c 6.31312112 _cell_angle_alpha 152.85640248 _cell_angle_beta 138.68855051 _cell_angle_gamma 50.13371116 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAg2Se _chemical_formula_sum 'Fe1 Ag2 Se1' _cell_volume 75.46517990 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.09293225 1 Ag Ag1 1 1.48146024 -0.00000000 3.61738139 1 Fe Fe2 1 0.00000000 0.00000000 6.03161322 1 Se Se3 1 -0.00000000 2.22696531 2.13212806 1 [/CIF]
Ag2FeSe
Imm2
44
orthorhombic
mm2
7,713.328053
false
[CIF] data_Sr2TcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04743201 _cell_length_b 6.04743201 _cell_length_c 2.91922913 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 122.43724878 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TcMo _chemical_formula_sum 'Sr2 Tc1 Mo1' _cell_volume 90.10357410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 1.45582491 -2.65017590 1.45961456 1 Sr Sr2 1 1.45582491 2.65017590 1.45961456 1 Tc Tc3 1 2.91164983 -0.00000000 0.00000000 1 [/CIF]
MoSr2Tc
Cmmm
65
orthorhombic
mmm
6,820.868351
false
[CIF] data_SrZrSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12372223 _cell_length_b 4.12372223 _cell_length_c 6.33753312 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrSi _chemical_formula_sum 'Sr1 Zr1 Si1' _cell_volume 93.33180870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 5.99150837 1 Sr Sr1 1 -0.00000000 2.38083214 1.77101267 1 Zr Zr2 1 2.06186112 1.19041607 4.91254520 1 [/CIF]
SiSrZr
P3m1
156
trigonal
3m
3,681.644267
false
[CIF] data_Ti2AgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21717701 _cell_length_b 3.51853032 _cell_length_c 5.98227339 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.32969336 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2AgAs _chemical_formula_sum 'Ti2 Ag1 As1' _cell_volume 67.30493809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.32977107 0.00000000 2.97290258 1 As As1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.31097556 1.75926516 1.34422175 1 Ti Ti3 1 1.24665932 1.75926516 4.60158342 1 [/CIF]
AgAsTi2
P2/m
10
monoclinic
2/m
6,871.704573
false
[CIF] data_BeAlSnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50326350 _cell_length_b 4.50326350 _cell_length_c 4.50326350 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAlSnMo _chemical_formula_sum 'Be1 Al1 Sn1 Mo1' _cell_volume 64.57539654 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59214408 1.59214408 1.59214408 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 3.18428816 3.18428816 3.18428816 1 Sn Sn3 1 4.77643224 4.77643224 4.77643224 1 [/CIF]
AlBeMoSn
F-43m
216
cubic
-43m
6,445.750594
false
[CIF] data_GaFe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98591612 _cell_length_b 3.98591612 _cell_length_c 2.83451342 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaFe2P _chemical_formula_sum 'Ga1 Fe2 P1' _cell_volume 45.03340939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 1.99295806 1.41725671 1 Fe Fe1 1 1.99295806 0.00000000 1.41725671 1 Ga Ga2 1 1.99295806 1.99295806 0.00000000 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2GaP
P4/mmm
123
tetragonal
4/mmm
7,831.441597
false
[CIF] data_AlZn2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93600297 _cell_length_b 4.93600297 _cell_length_c 4.93600297 _cell_angle_alpha 137.17215682 _cell_angle_beta 137.17215682 _cell_angle_gamma 62.17327455 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZn2Cr _chemical_formula_sum 'Al1 Zn2 Cr1' _cell_volume 54.91454188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 0.00000000 0.00000000 4.22713139 1 Zn Zn2 1 -0.00000000 1.80214949 2.11356569 1 Zn Zn3 1 1.80214949 0.00000000 2.11356569 1 [/CIF]
AlCrZn2
I4/mmm
139
tetragonal
4/mmm
6,342.173324
false
[CIF] data_Mg2ZrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59524071 _cell_length_b 5.59524071 _cell_length_c 3.16562364 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.97609401 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ZrCl _chemical_formula_sum 'Mg2 Zr1 Cl1' _cell_volume 87.52418116 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.44138125 2.39772804 1.58281182 1 Mg Mg2 1 1.44138125 -2.39772804 1.58281182 1 Zr Zr3 1 2.88276249 0.00000000 0.00000000 1 [/CIF]
ClMg2Zr
Cmmm
65
orthorhombic
mmm
3,325.60565
false
[CIF] data_HfTeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48330785 _cell_length_b 3.48330785 _cell_length_c 7.85227037 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTeAs2 _chemical_formula_sum 'Hf1 Te1 As2' _cell_volume 95.27500097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74165393 1.74165393 0.75626433 1 As As1 1 0.00000000 0.00000000 2.10462188 1 Hf Hf2 1 1.74165393 1.74165393 3.57599326 1 Te Te3 1 0.00000000 0.00000000 5.34152608 1 [/CIF]
As2HfTe
P4mm
99
tetragonal
4mm
7,946.417031
false
[CIF] data_BiOsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89545135 _cell_length_b 4.89545135 _cell_length_c 3.44515352 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiOsPb _chemical_formula_sum 'Bi1 Os1 Pb1' _cell_volume 71.50307007 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44772570 1.41319506 0.42144353 1 Os Os1 1 0.00000000 0.00000000 1.05917352 1 Pb Pb2 1 0.00000002 2.82639014 1.96453647 1 [/CIF]
BiOsPb
P3m1
156
trigonal
3m
14,082.866055
false
[CIF] data_Zr2ZnSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85304275 _cell_length_b 6.85304275 _cell_length_c 6.85304275 _cell_angle_alpha 32.32747485 _cell_angle_beta 32.32747485 _cell_angle_gamma 32.32747485 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ZnSe _chemical_formula_sum 'Zr2 Zn1 Se1' _cell_volume 81.81701644 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 0.00000000 -0.00000000 9.73399459 1 Zn Zn1 1 -0.00000000 -0.00000000 -0.00000000 1 Zr Zr2 1 -0.00000000 -0.00000000 4.88602589 1 Zr Zr3 1 0.00000000 -0.00000000 14.58196329 1 [/CIF]
SeZnZr2
R-3m
166
trigonal
-3m
6,675.474388
false
[CIF] data_BaLiNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98746651 _cell_length_b 2.98746651 _cell_length_c 9.61493651 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiNb2 _chemical_formula_sum 'Ba1 Li1 Nb2' _cell_volume 85.81288672 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.80746825 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.49373325 1.49373325 1.83680199 1 Nb Nb3 1 1.49373325 1.49373325 7.77813452 1 [/CIF]
BaLiNb2
P4/mmm
123
tetragonal
4/mmm
6,387.292376
false
[CIF] data_Sc2SiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43591045 _cell_length_b 4.43591045 _cell_length_c 3.51137143 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2SiIr _chemical_formula_sum 'Sc2 Si1 Ir1' _cell_volume 69.09431438 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 2.21795522 2.21795522 0.00000000 1 Sc Sc1 1 2.21795522 0.00000000 1.75568572 1 Sc Sc2 1 0.00000000 2.21795522 1.75568572 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrSc2Si
P4/mmm
123
tetragonal
4/mmm
7,455.360237
false
[CIF] data_Ca2ZnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37577082 _cell_length_b 5.37577082 _cell_length_c 5.37577082 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ZnSn _chemical_formula_sum 'Ca2 Zn1 Sn1' _cell_volume 109.85181545 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.70186600 5.70186600 5.70186600 1 Ca Ca1 1 1.90062200 1.90062200 1.90062200 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.80124400 3.80124400 3.80124400 1 [/CIF]
Ca2SnZn
Fm-3m
225
cubic
m-3m
3,994.388298
false
[CIF] data_GaSi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01293377 _cell_length_b 5.01293377 _cell_length_c 5.01293377 _cell_angle_alpha 131.96302697 _cell_angle_beta 131.96302697 _cell_angle_gamma 70.28742803 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSi2Ge _chemical_formula_sum 'Ga1 Si2 Ge1' _cell_volume 68.26394676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 0.00000000 4.09912997 1 Si Si2 1 0.00000000 2.04042134 2.04956499 1 Si Si3 1 2.04042134 -0.00000000 2.04956499 1 [/CIF]
GaGeSi2
I4/mmm
139
tetragonal
4/mmm
4,829.393533
false
[CIF] data_AlZnTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10884044 _cell_length_b 4.10884044 _cell_length_c 4.10884044 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZnTc _chemical_formula_sum 'Al1 Zn1 Tc1' _cell_volume 49.05043153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 2.90538894 2.90538894 2.90538894 1 Zn Zn2 1 1.45269447 1.45269447 1.45269447 1 [/CIF]
AlTcZn
F-43m
216
cubic
-43m
6,475.122485
false
[CIF] data_Bi2PbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47115849 _cell_length_b 5.47115849 _cell_length_c 5.47115849 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2PbSe _chemical_formula_sum 'Bi2 Pb1 Se1' _cell_volume 115.80382106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.80303991 5.80303991 5.80303991 1 Bi Bi1 1 3.86869327 3.86869327 3.86869327 1 Pb Pb2 1 1.93434663 1.93434664 1.93434664 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2PbSe
F-43m
216
cubic
-43m
10,096.558864
false
[CIF] data_MgHgCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39459145 _cell_length_b 3.39459145 _cell_length_c 7.83138979 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgHgCl2 _chemical_formula_sum 'Mg1 Hg1 Cl2' _cell_volume 90.24307111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69729573 1.69729573 7.32256286 1 Cl Cl1 1 0.00000000 0.00000000 2.25297752 1 Hg Hg2 1 1.69729573 1.69729573 3.93551771 1 Mg Mg3 1 0.00000000 0.00000000 6.06741646 1 [/CIF]
Cl2HgMg
P4mm
99
tetragonal
4mm
5,442.956566
false
[CIF] data_LaHfNbHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99959748 _cell_length_b 4.99959748 _cell_length_c 4.99959748 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfNbHg _chemical_formula_sum 'La1 Hf1 Nb1 Hg1' _cell_volume 88.36700242 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53524928 3.53524928 3.53524928 1 Hg Hg1 1 5.30287392 5.30287392 5.30287392 1 La La2 1 1.76762464 1.76762464 1.76762464 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfHgLaNb
F-43m
216
cubic
-43m
11,479.508805
false
[CIF] data_Be17Ga12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76007060 _cell_length_b 7.76007060 _cell_length_c 7.76007060 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be17Ga12 _chemical_formula_sum 'Be17 Ga12' _cell_volume 359.72873175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.24249181 4.96898865 1.24249181 1 Be Be1 1 3.23778704 0.48870980 3.23778704 1 Be Be2 1 1.24249181 3.99156905 -1.24249181 1 Be Be3 1 -1.24249181 3.99156905 1.24249181 1 Be Be4 1 1.24249181 -1.24249181 3.99156905 1 Be Be5 1 -1.24249181 1.24249181 3.99156905 1 Be Be6 1 3.23778704 3.23778704 0.48870980 1 Be Be7 1 1.24249181 1.24249181 4.96898865 1 Be Be8 1 3.99156905 -1.24249181 1.24249181 1 Be Be9 1 3.99156905 1.24249181 -1.24249181 1 Be Be10 1 4.96898865 1.24249181 1.24249181 1 Be Be11 1 0.48870980 3.23778704 3.23778704 1 Be Be12 1 1.42815573 -1.42815573 1.42815573 1 Be Be13 1 3.05212312 3.05212312 3.05212312 1 Be Be14 1 1.42815573 1.42815573 -1.42815573 1 Be Be15 1 -1.42815573 1.42815573 1.42815573 1 Be Be16 1 0.00000000 0.00000000 0.00000000 1 Ga Ga17 1 3.59022871 -1.78078020 3.59022871 1 Ga Ga18 1 0.89005014 2.69949865 0.89005014 1 Ga Ga19 1 -0.89005014 6.26105905 0.89005014 1 Ga Ga20 1 0.89005014 6.26105905 -0.89005014 1 Ga Ga21 1 -0.89005014 0.89005014 6.26105905 1 Ga Ga22 1 0.89005014 -0.89005014 6.26105905 1 Ga Ga23 1 0.89005014 0.89005014 2.69949865 1 Ga Ga24 1 3.59022871 3.59022871 -1.78078020 1 Ga Ga25 1 6.26105905 0.89005014 -0.89005014 1 Ga Ga26 1 6.26105905 -0.89005014 0.89005014 1 Ga Ga27 1 -1.78078020 3.59022871 3.59022871 1 Ga Ga28 1 2.69949865 0.89005014 0.89005014 1 [/CIF]
Be17Ga12
I-43m
217
cubic
-43m
4,569.386329
false
[CIF] data_LiNiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74236124 _cell_length_b 4.74236124 _cell_length_c 4.74236124 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNiSb2 _chemical_formula_sum 'Li1 Ni1 Sb2' _cell_volume 75.41693855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 3.35335579 3.35335579 3.35335579 1 Sb Sb2 1 5.03003369 5.03003369 5.03003369 1 Sb Sb3 1 1.67667790 1.67667790 1.67667790 1 [/CIF]
LiNiSb2
Fm-3m
225
cubic
m-3m
6,806.998119
false
[CIF] data_VNiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65850036 _cell_length_b 3.65850036 _cell_length_c 3.18501465 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNiP _chemical_formula_sum 'V1 Ni1 P1' _cell_volume 36.91885895 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.11223618 0.00000000 1 P P1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.82925016 1.05611809 1.59250732 1 [/CIF]
NiPV
P-6m2
187
hexagonal
-6m2
6,324.306409
false
[CIF] data_Nb3ZnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61585789 _cell_length_b 4.61585789 _cell_length_c 4.61585789 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3ZnOs _chemical_formula_sum 'Nb3 Zn1 Os1' _cell_volume 98.34613317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30792895 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 2.30792895 1 Nb Nb2 1 2.30792895 0.00000000 0.00000000 1 Os Os3 1 2.30792895 2.30792895 2.30792895 1 Zn Zn4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb3OsZn
Pm-3m
221
cubic
m-3m
9,021.955239
false
[CIF] data_TcPBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58008761 _cell_length_b 3.58008761 _cell_length_c 8.66527493 _cell_angle_alpha 92.94758665 _cell_angle_beta 92.94758665 _cell_angle_gamma 59.94608928 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPBr2 _chemical_formula_sum 'Tc1 P1 Br2' _cell_volume 95.96162101 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.05191894 0.00000000 7.88654981 1 Br Br1 1 1.98558408 0.00000000 2.69419355 1 P P2 1 2.00770373 0.00000000 4.91996768 1 Tc Tc3 1 4.07654080 0.00000000 6.12427455 1 [/CIF]
Br2PTc
Cm
8
monoclinic
m
5,012.818385
false
[CIF] data_CoSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18039224 _cell_length_b 3.18039224 _cell_length_c 6.77022045 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSe _chemical_formula_sum 'Co2 Se2' _cell_volume 59.30547816 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.59019612 0.91810016 5.07766534 1 Co Co1 1 0.00000000 1.83620031 1.69255511 1 Se Se2 1 0.00000000 0.00000000 3.38511023 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2Se2
P6_3/mmc
194
hexagonal
6/mmm
7,721.952323
false
[CIF] data_Tc2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68371865 _cell_length_b 7.45950929 _cell_length_c 4.47165653 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2Ag _chemical_formula_sum 'Tc4 Ag2' _cell_volume 89.51909463 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Ag Ag1 1 1.34185933 3.72975464 2.23582826 1 Tc Tc2 1 0.54939244 2.54120298 0.00000000 1 Tc Tc3 1 0.79246688 6.27095763 2.23582826 1 Tc Tc4 1 1.89125177 1.18855166 2.23582826 1 Tc Tc5 1 2.13432621 4.91830631 0.00000000 1 [/CIF]
Ag2Tc4
Pnnm
58
orthorhombic
mmm
11,340.476137
false
[CIF] data_HfReAg4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33444979 _cell_length_b 5.33444979 _cell_length_c 5.33444979 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfReAg4 _chemical_formula_sum 'Hf1 Re1 Ag4' _cell_volume 107.33809844 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.82964039 2.82964039 4.71441085 1 Ag Ag1 1 2.82964039 4.71441085 2.82964039 1 Ag Ag2 1 4.71441085 2.82964039 2.82964039 1 Ag Ag3 1 4.71441085 4.71441085 4.71441085 1 Hf Hf4 1 0.00000000 0.00000000 0.00000000 1 Re Re5 1 1.88601281 1.88601281 1.88601281 1 [/CIF]
Ag4HfRe
F-43m
216
cubic
-43m
12,316.885391
false
[CIF] data_SnCCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27561581 _cell_length_b 5.27561581 _cell_length_c 5.27561581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnCCl3 _chemical_formula_sum 'Sn1 C1 Cl3' _cell_volume 146.83158377 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 2.63780791 2.63780791 2.63780791 1 Cl Cl2 1 2.63780791 0.00000000 2.63780791 1 Cl Cl3 1 2.63780791 2.63780791 0.00000000 1 Cl Cl4 1 0.00000000 2.63780791 2.63780791 1 [/CIF]
CCl3Sn
Pm-3m
221
cubic
m-3m
2,681.167727
false
[CIF] data_TiAlBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86699795 _cell_length_b 3.86699795 _cell_length_c 6.37132586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlBi2 _chemical_formula_sum 'Ti1 Al1 Bi2' _cell_volume 95.27472466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 1.93349898 1.93349898 1.65071783 1 Bi Bi2 1 1.93349898 1.93349898 4.72060803 1 Ti Ti3 1 0.00000000 0.00000000 3.18566293 1 [/CIF]
AlBi2Ti
P4/mmm
123
tetragonal
4/mmm
8,589.152734
false
[CIF] data_B2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70096254 _cell_length_b 4.70096254 _cell_length_c 7.66534477 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 141.20868402 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2Cl _chemical_formula_sum 'B4 Cl2' _cell_volume 106.12468768 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.56114101 -3.64432913 5.74900858 1 B B1 1 1.56114101 1.28821559 5.74900858 1 B B2 1 1.56114101 3.64432913 1.91633619 1 B B3 1 1.56114101 -1.28821559 1.91633619 1 Cl Cl4 1 1.56114101 3.25826921 5.74900858 1 Cl Cl5 1 1.56114101 -3.25826921 1.91633619 1 [/CIF]
B4Cl2
Cmcm
63
orthorhombic
mmm
1,786.111588
false
[CIF] data_CeNi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55039586 _cell_length_b 4.55039586 _cell_length_c 4.55039586 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeNi2Pd _chemical_formula_sum 'Ce1 Ni2 Pd1' _cell_volume 66.62428171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 3.21761577 3.21761577 3.21761577 1 Ni Ni1 1 1.60880788 1.60880788 1.60880788 1 Ni Ni2 1 4.82642365 4.82642365 4.82642365 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CeNi2Pd
Fm-3m
225
cubic
m-3m
9,070.387119
false
[CIF] data_Ba2CoCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58905901 _cell_length_b 5.58905901 _cell_length_c 3.72111975 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CoCl _chemical_formula_sum 'Ba2 Co1 Cl1' _cell_volume 116.23877801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.79452950 0.00000000 1.86055988 1 Ba Ba1 1 0.00000000 2.79452950 1.86055988 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Co Co3 1 2.79452950 2.79452950 0.00000000 1 [/CIF]
Ba2ClCo
P4/mmm
123
tetragonal
4/mmm
5,271.962794
false
[CIF] data_CdMoW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69229099 _cell_length_b 4.42509217 _cell_length_c 5.70660385 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdMoW2 _chemical_formula_sum 'Cd1 Mo1 W2' _cell_volume 67.98639981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.34614550 2.21254609 2.85766816 1 Mo Mo1 1 0.00000000 0.00000000 4.33274211 1 W W2 1 1.34614550 2.21254609 0.00546419 1 W W3 1 0.00000000 0.00000000 1.36403131 1 [/CIF]
CdMoW2
Pmm2
25
orthorhombic
mm2
14,069.802087
false
[CIF] data_TaMn2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87748249 _cell_length_b 3.64000136 _cell_length_c 4.59494513 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.91220403 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMn2B _chemical_formula_sum 'Ta1 Mn2 B1' _cell_volume 46.28352993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.71955031 0.00000000 3.33120090 1 Mn Mn1 1 0.40774739 1.82000068 0.09855610 1 Mn Mn2 1 2.02722882 0.00000000 0.70630879 1 Ta Ta3 1 0.71114459 1.82000068 2.49225464 1 [/CIF]
BMn2Ta
Pm
6
monoclinic
m
10,821.919855
false
[CIF] data_SiNiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15983239 _cell_length_b 4.15983239 _cell_length_c 4.15983239 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiNiOs2 _chemical_formula_sum 'Si1 Ni1 Os2' _cell_volume 50.89938067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 2.94144569 2.94144569 2.94144569 1 Os Os1 1 4.41216854 4.41216854 4.41216854 1 Os Os2 1 1.47072285 1.47072285 1.47072285 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NiOs2Si
Fm-3m
225
cubic
m-3m
15,243.1805
false
[CIF] data_Cr2Cu(SeS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17207094 _cell_length_b 7.17207094 _cell_length_c 7.17207094 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Cu(SeS)2 _chemical_formula_sum 'Cr4 Cu2 Se4 S4' _cell_volume 260.86675309 _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 Cr Cr0 1 3.73261245 3.73261245 6.41022755 1 Cr Cr1 1 6.41022755 3.73261245 3.73261245 1 Cr Cr2 1 6.41022755 6.41022755 6.41022755 1 Cr Cr3 1 3.73261245 6.41022755 3.73261245 1 Cu Cu4 1 0.00000000 0.00000000 0.00000000 1 Cu Cu5 1 2.53571000 2.53571000 2.53571000 1 Se Se6 1 6.25068744 6.25068744 3.89215256 1 Se Se7 1 3.89215256 6.25068744 6.25068744 1 Se Se8 1 3.89215256 3.89215256 3.89215256 1 Se Se9 1 6.25068744 3.89215256 6.25068744 1 S S10 1 6.41376740 6.41376740 8.80049260 1 S S11 1 8.80049260 6.41376740 6.41376740 1 S S12 1 8.80049260 8.80049260 8.80049260 1 S S13 1 6.41376740 8.80049260 6.41376740 1 [/CIF]
Cr4Cu2S4Se4
F-43m
216
cubic
-43m
4,959.822732
false
[CIF] data_K4CdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88355646 _cell_length_b 7.88355646 _cell_length_c 7.88355646 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4CdCl _chemical_formula_sum 'K4 Cd1 Cl1' _cell_volume 346.45876133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.36177435 8.36177435 8.36177435 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 K K2 1 6.97370464 6.97370464 4.17532782 1 K K3 1 6.97370464 4.17532782 6.97370464 1 K K4 1 4.17532782 6.97370464 6.97370464 1 K K5 1 4.17532782 4.17532782 4.17532782 1 [/CIF]
CdClK4
F-43m
216
cubic
-43m
1,458.271585
false
[CIF] data_CdReBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03715593 _cell_length_b 3.03715593 _cell_length_c 7.69877661 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdReBr _chemical_formula_sum 'Cd1 Re1 Br1' _cell_volume 61.50161610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.19332075 1 Cd Cd1 1 0.00000000 1.75350279 2.91316479 1 Re Re2 1 1.51857796 0.87675140 5.29106768 1 [/CIF]
BrCdRe
P3m1
156
trigonal
3m
10,220.0659
false
[CIF] data_Al3TcO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72193729 _cell_length_b 4.72193729 _cell_length_c 4.72193729 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3TcO _chemical_formula_sum 'Al3 Tc1 O1' _cell_volume 105.28358032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 2.36096865 2.36096865 2.36096865 1 O O1 1 0.00000000 0.00000000 0.00000000 1 Al Al2 1 2.36096865 0.00000000 2.36096865 1 Al Al3 1 2.36096865 2.36096865 0.00000000 1 Al Al4 1 0.00000000 2.36096865 2.36096865 1 [/CIF]
Al3OTc
Pm-3m
221
cubic
m-3m
3,088.961579
false
[CIF] data_VSiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71453680 _cell_length_b 4.33423491 _cell_length_c 5.14549164 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.87655046 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSiW2 _chemical_formula_sum 'V1 Si1 W2' _cell_volume 58.77212694 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.63349178 0.00000000 2.54019555 1 V V1 1 -0.26900520 2.16711746 3.71883947 1 W W2 1 -1.17608862 0.00000000 4.96173199 1 W W3 1 1.79828960 2.16711746 1.26753058 1 [/CIF]
SiVW2
Pm
6
monoclinic
m
12,621.194152
false
[CIF] data_VSiTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15239740 _cell_length_b 3.15239740 _cell_length_c 5.57906683 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSiTc2 _chemical_formula_sum 'V1 Si1 Tc2' _cell_volume 55.44258679 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 4.21790530 1 Tc Tc1 1 1.57619870 1.57619870 5.33007330 1 Tc Tc2 1 0.00000000 0.00000000 1.60902960 1 V V3 1 1.57619870 1.57619870 2.79065888 1 [/CIF]
SiTc2V
P4mm
99
tetragonal
4mm
8,291.507765
false
[CIF] data_Fe3BO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.06669800 _cell_length_b 8.56288800 _cell_length_c 4.45941600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3BO6 _chemical_formula_sum 'Fe12 B4 O24' _cell_volume 384.40169266 _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 B B0 1 7.22530847 2.14072200 0.39598892 1 B B1 1 2.19195947 2.14072200 1.83371908 1 B B2 1 7.87473853 6.42216600 2.62569692 1 B B3 1 2.84138953 6.42216600 4.06342708 1 Fe Fe4 1 5.94310841 6.42216600 0.08311888 1 Fe Fe5 1 8.77112856 4.85076906 0.09027891 1 Fe Fe6 1 8.77112856 7.99356294 0.09027891 1 Fe Fe7 1 3.73777956 4.85076906 2.13942909 1 Fe Fe8 1 3.73777956 7.99356294 2.13942909 1 Fe Fe9 1 0.90975941 6.42216600 2.14658912 1 Fe Fe10 1 9.15693859 2.14072200 2.31282688 1 Fe Fe11 1 6.32891844 0.56932506 2.31998691 1 Fe Fe12 1 6.32891844 3.71211894 2.31998691 1 Fe Fe13 1 1.29556944 0.56932506 4.36913709 1 Fe Fe14 1 1.29556944 3.71211894 4.36913709 1 Fe Fe15 1 4.12358959 2.14072200 4.37629712 1 O O16 1 5.85527848 2.14072200 0.99986898 1 O O17 1 7.91027851 0.96236907 1.04266899 1 O O18 1 7.91027851 3.31907493 1.04266899 1 O O19 1 2.82516836 6.42216600 1.04738901 1 O O20 1 0.35292826 4.96793899 1.05886898 1 O O21 1 0.35292826 7.87639301 1.05886898 1 O O22 1 5.38627726 4.96793899 1.17083902 1 O O23 1 5.38627726 7.87639301 1.17083902 1 O O24 1 7.85851736 6.42216600 1.18231899 1 O O25 1 2.87692951 0.96236907 1.18703901 1 O O26 1 2.87692951 3.31907493 1.18703901 1 O O27 1 0.82192948 2.14072200 1.22983902 1 O O28 1 9.24476852 6.42216600 3.22957698 1 O O29 1 7.18976849 5.24381307 3.27237699 1 O O30 1 7.18976849 7.60051893 3.27237699 1 O O31 1 2.20818064 2.14072200 3.27709701 1 O O32 1 4.68042074 0.68649499 3.28857698 1 O O33 1 4.68042074 3.59494901 3.28857698 1 O O34 1 9.71376974 0.68649499 3.40054702 1 O O35 1 9.71376974 3.59494901 3.40054702 1 O O36 1 7.24152964 2.14072200 3.41202699 1 O O37 1 2.15641949 5.24381307 3.41674701 1 O O38 1 2.15641949 7.60051893 3.41674701 1 O O39 1 4.21141952 6.42216600 3.45954702 1 [/CIF]
B4Fe12O24
Pnma
62
orthorhombic
mmm
4,740.41901
false
[CIF] data_TlCrB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31306845 _cell_length_b 4.31306845 _cell_length_c 4.31306845 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCrB _chemical_formula_sum 'Tl1 Cr1 B1' _cell_volume 56.73408494 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 3.04979995 3.04979995 3.04979995 1 Tl Tl2 1 1.52489998 1.52489998 1.52489998 1 [/CIF]
BCrTl
F-43m
216
cubic
-43m
7,820.344646
false
[CIF] data_Y2TeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10653983 _cell_length_b 5.10653983 _cell_length_c 5.10653983 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TeOs _chemical_formula_sum 'Y2 Te1 Os1' _cell_volume 94.15972303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.61086894 3.61086894 3.61086894 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.41630341 5.41630341 5.41630341 1 Y Y3 1 1.80543447 1.80543447 1.80543447 1 [/CIF]
OsTeY2
Fm-3m
225
cubic
m-3m
8,740.811669
false
[CIF] data_MgSi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55715375 _cell_length_b 4.55715375 _cell_length_c 3.82827129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSi2Sb _chemical_formula_sum 'Mg1 Si2 Sb1' _cell_volume 79.50419941 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 2.27857688 2.27857688 0.00000000 1 Si Si2 1 2.27857688 0.00000000 1.91413564 1 Si Si3 1 0.00000000 2.27857688 1.91413564 1 [/CIF]
MgSbSi2
P4/mmm
123
tetragonal
4/mmm
4,223.937618
false
[CIF] data_U3Tl2(IO5)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07590122 _cell_length_b 7.77395030 _cell_length_c 8.90629375 _cell_angle_alpha 92.42299062 _cell_angle_beta 105.39469688 _cell_angle_gamma 92.00156843 _symmetry_Int_Tables_number 1 _chemical_formula_structural U3Tl2(IO5)4 _chemical_formula_sum 'U3 Tl2 I4 O20' _cell_volume 471.37240340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy I I0 1 -0.23080967 6.05135262 3.34122879 1 I I1 1 0.96840725 2.53427591 3.66104248 1 I I2 1 3.47164831 4.77554506 4.91339599 1 I I3 1 4.67086522 1.25846834 5.23320968 1 O O4 1 4.85059417 0.15810326 0.14193988 1 O O5 1 0.19503698 1.68791605 0.63057509 1 O O6 1 3.30773555 5.37837024 1.06793662 1 O O7 1 0.81157395 7.01320188 2.09982090 1 O O8 1 3.35331714 0.98496006 2.38634014 1 O O9 1 -0.14033931 4.49238486 2.41204682 1 O O10 1 5.40798674 6.87505122 2.54275787 1 O O11 1 3.43896611 3.46074590 3.63426528 1 O O12 1 -0.81428182 2.01979945 3.72473230 1 O O13 1 2.78602475 6.15585265 3.89467501 1 O O14 1 1.65403081 1.15396831 4.67976346 1 O O15 1 5.25433738 5.29002152 4.84970617 1 O O16 1 1.00108945 3.84907507 4.94017318 1 O O17 1 -0.96793118 0.43476974 6.03168060 1 O O18 1 4.58039487 2.81743610 6.16239165 1 O O19 1 1.08673842 6.32486091 6.18809833 1 O O20 1 3.62848161 0.29661908 6.47461757 1 O O21 1 1.13232000 1.93145073 7.50650185 1 O O22 1 4.24501858 5.62190491 7.94386337 1 O O23 1 -0.41053861 7.15171770 8.43249859 1 Tl Tl24 1 4.87889093 3.12210778 1.28834368 1 Tl Tl25 1 -0.43883538 4.18771319 7.28609479 1 U U26 1 0.00000000 0.00000000 0.00000000 1 U U27 1 3.18696844 7.07031980 1.71325272 1 U U28 1 1.25308712 0.23950116 6.86118575 1 [/CIF]
I4O20Tl2U3
P-1
2
triclinic
-1
6,871.029557
false
[CIF] data_Li2CrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87506329 _cell_length_b 3.87506329 _cell_length_c 4.11012592 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CrHg _chemical_formula_sum 'Li2 Cr1 Hg1' _cell_volume 61.71812554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.93753164 1.93753164 0.00000000 1 Li Li2 1 1.93753164 0.00000000 2.05506296 1 Li Li3 1 0.00000000 1.93753164 2.05506296 1 [/CIF]
CrHgLi2
P4/mmm
123
tetragonal
4/mmm
7,169.379922
false
[CIF] data_Zr2TaSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04702924 _cell_length_b 3.04702924 _cell_length_c 8.56354892 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.00696639 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TaSi _chemical_formula_sum 'Zr2 Ta1 Si1' _cell_volume 77.46736188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 0.00000000 0.00000000 4.28177446 1 Zr Zr2 1 1.89667533 0.00000000 6.58264249 1 Zr Zr3 1 1.89667533 0.00000000 1.98090643 1 [/CIF]
SiTaZr2
Cmmm
65
orthorhombic
mmm
8,391.535604
false
[CIF] data_ZnInTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18895865 _cell_length_b 5.18895865 _cell_length_c 5.18895865 _cell_angle_alpha 148.40039850 _cell_angle_beta 135.33722138 _cell_angle_gamma 55.73738877 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnInTc _chemical_formula_sum 'Zn1 In1 Tc1' _cell_volume 51.11111611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 -0.00000000 -0.00000000 9.14748045 1 Tc Tc1 1 -0.00000000 -0.00000000 2.89954266 1 Zn Zn2 1 -0.00000000 -0.00000000 6.30157404 1 [/CIF]
InTcZn
Imm2
44
orthorhombic
mm2
9,067.76183
false
[CIF] data_LiRe2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76035514 _cell_length_b 2.76035514 _cell_length_c 9.07575267 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.94881511 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiRe2Ge _chemical_formula_sum 'Li1 Re2 Ge1' _cell_volume 62.18158299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.46381084 0.00000000 4.58336464 1 Li Li1 1 0.00000000 0.00000000 2.26941020 1 Re Re2 1 1.46381084 0.00000000 9.00024114 1 Re Re3 1 0.00000000 0.00000000 6.83636570 1 [/CIF]
GeLiRe2
Cmm2
35
orthorhombic
mm2
12,070.380318
false
[CIF] data_Ba2LiSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28456521 _cell_length_b 6.28456521 _cell_length_c 4.07373094 _cell_angle_alpha 90.71428607 _cell_angle_beta 90.71428607 _cell_angle_gamma 93.50267516 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiSc _chemical_formula_sum 'Ba2 Li1 Sc1' _cell_volume 160.56795446 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11592521 -2.28879769 2.03652830 1 Ba Ba1 1 2.11592521 2.28879769 2.03652830 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 4.30597032 0.00000000 0.00000000 1 [/CIF]
Ba2LiSc
C2/m
12
monoclinic
2/m
3,377.07825
false
[CIF] data_Nb4ReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26195104 _cell_length_b 5.26195104 _cell_length_c 5.26195104 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4ReOs _chemical_formula_sum 'Nb4 Re1 Os1' _cell_volume 103.02091666 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.78921984 4.65230268 4.65230268 1 Nb Nb1 1 4.65230268 4.65230268 2.78921984 1 Nb Nb2 1 4.65230268 2.78921984 4.65230268 1 Nb Nb3 1 2.78921984 2.78921984 2.78921984 1 Os Os4 1 5.58114189 5.58114189 5.58114189 1 Re Re5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb4OsRe
F-43m
216
cubic
-43m
12,057.619744
false
[CIF] data_Y2HfCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49452388 _cell_length_b 5.49452388 _cell_length_c 3.48048191 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2HfCd _chemical_formula_sum 'Y2 Hf1 Cd1' _cell_volume 105.07502725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.74726194 2.74726194 0.00000000 1 Y Y2 1 2.74726194 0.00000000 1.74024095 1 Y Y3 1 0.00000000 2.74726194 1.74024095 1 [/CIF]
CdHfY2
P4/mmm
123
tetragonal
4/mmm
7,407.23814
false
[CIF] data_NiAs3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71243645 _cell_length_b 4.71243645 _cell_length_c 4.71243645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAs3S _chemical_formula_sum 'Ni1 As3 S1' _cell_volume 104.64934625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 2.35621823 2.35621823 2.35621823 1 As As1 1 0.00000000 2.35621823 0.00000000 1 As As2 1 0.00000000 0.00000000 2.35621823 1 As As3 1 2.35621823 0.00000000 0.00000000 1 S S4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As3NiS
Pm-3m
221
cubic
m-3m
5,006.611305
false
[CIF] data_NiGeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00446017 _cell_length_b 5.00446017 _cell_length_c 5.00446017 _cell_angle_alpha 145.82980024 _cell_angle_beta 145.82980024 _cell_angle_gamma 49.09963585 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGeRh _chemical_formula_sum 'Ni1 Ge1 Rh1' _cell_volume 39.36058408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.03360913 1 Ni Ni1 1 0.00000000 0.00000000 3.20590710 1 Rh Rh2 1 -0.00000000 -0.00000000 5.96871880 1 [/CIF]
GeNiRh
I4mm
107
tetragonal
4mm
9,882.039444
false
[CIF] data_CaTaCuHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86279340 _cell_length_b 4.86279340 _cell_length_c 4.86279340 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaCuHg _chemical_formula_sum 'Ca1 Ta1 Cu1 Hg1' _cell_volume 81.30971867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 -0.00000000 0.00000000 1 Cu Cu1 1 5.15777128 5.15777128 5.15777129 1 Hg Hg2 1 1.71925710 1.71925710 1.71925710 1 Ta Ta3 1 3.43851419 3.43851419 3.43851419 1 [/CIF]
CaCuHgTa
F-43m
216
cubic
-43m
9,908.166804
false
[CIF] data_NaTa4Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65072577 _cell_length_b 5.65072577 _cell_length_c 5.65072577 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTa4Te _chemical_formula_sum 'Na1 Ta4 Te1' _cell_volume 127.58443550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 5.02630063 5.02630063 2.96503239 1 Ta Ta2 1 5.02630063 2.96503239 5.02630063 1 Ta Ta3 1 2.96503239 5.02630063 5.02630063 1 Ta Ta4 1 2.96503239 2.96503239 2.96503239 1 Te Te5 1 5.99349977 5.99349977 5.99349977 1 [/CIF]
NaTa4Te
F-43m
216
cubic
-43m
11,380.261897
false
[CIF] data_Ti2BeIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64206018 _cell_length_b 4.64206018 _cell_length_c 4.64206018 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2BeIn _chemical_formula_sum 'Ti2 Be1 In1' _cell_volume 70.73222187 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.28243223 3.28243223 3.28243223 1 Ti Ti2 1 4.92364835 4.92364835 4.92364835 1 Ti Ti3 1 1.64121611 1.64121611 1.64121612 1 [/CIF]
BeInTi2
Fm-3m
225
cubic
m-3m
5,154.58008
false
[CIF] data_LaNbAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92905485 _cell_length_b 5.92905485 _cell_length_c 5.92905485 _cell_angle_alpha 147.91358275 _cell_angle_beta 140.36843513 _cell_angle_gamma 51.87276737 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbAl _chemical_formula_sum 'La1 Nb1 Al1' _cell_volume 70.24024660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.28400984 1 La La1 1 -0.00000000 0.00000000 7.09945708 1 Nb Nb2 1 0.00000000 0.00000000 3.94406012 1 [/CIF]
AlLaNb
Imm2
44
orthorhombic
mm2
6,118.095433
false
[CIF] data_Be3Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09012646 _cell_length_b 4.09012646 _cell_length_c 4.09012646 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be3Cu _chemical_formula_sum 'Be3 Cu1' _cell_volume 68.42427550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04506323 0.00000000 0.00000000 1 Be Be1 1 0.00000000 2.04506323 0.00000000 1 Be Be2 1 0.00000000 0.00000000 2.04506323 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be3Cu
Pm-3m
221
cubic
m-3m
2,198.282047
false
[CIF] data_SmB2Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54965594 _cell_length_b 5.54965594 _cell_length_c 3.03422300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmB2Ru3 _chemical_formula_sum 'Sm1 B2 Ru3' _cell_volume 80.93013150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.77482797 1.60204768 0.00000000 1 B B1 1 -0.00000000 3.20409535 0.00000000 1 Ru Ru2 1 2.77482797 0.00000000 1.51711150 1 Ru Ru3 1 1.38741399 2.40307151 1.51711150 1 Ru Ru4 1 -1.38741399 2.40307151 1.51711150 1 Sm Sm5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2Ru3Sm
P6/mmm
191
hexagonal
6/mmm
9,750.164559
false
[CIF] data_LaMgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97770595 _cell_length_b 4.97770595 _cell_length_c 4.97770595 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMgP _chemical_formula_sum 'La1 Mg1 P1' _cell_volume 87.21129086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.27965445 5.27965445 5.27965445 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 3.51976963 3.51976963 3.51976963 1 [/CIF]
LaMgP
F-43m
216
cubic
-43m
3,697.348132
false