Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
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_TcMoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19189892 _cell_length_b 4.19189892 _cell_length_c 4.19189892 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcMoRu _chemical_formula_sum 'Tc1 Mo1 Ru1' _cell_volume 52.08556826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 1.48206007 1.48206007 1.48206007 1 Tc Tc2 1 4.44618023 4.44618022 4.44618022 1 [/CIF]
MoRuTc
F-43m
216
cubic
-43m
9,434.736678
false
[CIF] data_SrTlAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01423336 _cell_length_b 5.01423336 _cell_length_c 5.01423336 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlAgRu _chemical_formula_sum 'Sr1 Tl1 Ag1 Ru1' _cell_volume 89.14533627 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.31839762 5.31839762 5.31839762 1 Ru Ru1 1 1.77279921 1.77279921 1.77279921 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.54559841 3.54559841 3.54559841 1 [/CIF]
AgRuSrTl
F-43m
216
cubic
-43m
9,331.199653
false
[CIF] data_Na2AlTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74192279 _cell_length_b 6.74192279 _cell_length_c 4.85195347 _cell_angle_alpha 111.00197392 _cell_angle_beta 111.00197392 _cell_angle_gamma 34.23443925 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2AlTe _chemical_formula_sum 'Na2 Al1 Te1' _cell_volume 115.01592738 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.70742772 -0.00000000 1.29951059 1 Na Na1 1 0.18539584 -0.00000000 0.10497211 1 Na Na2 1 1.63274012 -0.00000000 3.25050425 1 Te Te3 1 5.07498949 -0.00000000 2.09180138 1 [/CIF]
AlNa2Te
Cm
8
monoclinic
m
2,895.594649
false
[CIF] data_CrTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95718247 _cell_length_b 2.95718247 _cell_length_c 2.95718247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTc _chemical_formula_sum 'Cr1 Tc1' _cell_volume 25.86034837 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 1.47859124 1.47859124 1.47859124 1 [/CIF]
Cr2Tc2
Pm-3m
221
cubic
m-3m
9,692.118275
false
[CIF] data_Sc3PRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.24665499 _cell_length_b 4.08069846 _cell_length_c 10.60253418 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3PRh3 _chemical_formula_sum 'Sc12 P4 Rh12' _cell_volume 486.59490578 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.35675447 3.06052385 9.22975188 1 P P1 1 5.26657303 1.02017461 3.92848479 1 P P2 1 10.88990052 1.02017461 1.37278230 1 P P3 1 5.98008196 3.06052385 6.67404939 1 Rh Rh4 1 6.54089900 3.06052385 4.22563353 1 Rh Rh5 1 10.32908348 1.02017461 9.52690062 1 Rh Rh6 1 4.70575599 1.02017461 6.37690065 1 Rh Rh7 1 0.91757151 3.06052385 1.07563356 1 Rh Rh8 1 1.10851913 3.06052385 3.81506354 1 Rh Rh9 1 4.51480837 1.02017461 9.11633063 1 Rh Rh10 1 10.13813586 1.02017461 6.78747064 1 Rh Rh11 1 6.73184662 3.06052385 1.48620355 1 Rh Rh12 1 3.60776688 3.06052385 0.41181982 1 Rh Rh13 1 2.01556061 1.02017461 5.71308691 1 Rh Rh14 1 7.63888811 1.02017461 10.19071436 1 Rh Rh15 1 9.23109438 3.06052385 4.88944727 1 Sc Sc16 1 3.65747575 3.06052385 4.73276546 1 Sc Sc17 1 1.96585175 1.02017461 10.03403255 1 Sc Sc18 1 7.58917924 1.02017461 5.86976872 1 Sc Sc19 1 9.28080324 3.06052385 0.56850163 1 Sc Sc20 1 3.34971666 3.06052385 7.84343247 1 Sc Sc21 1 2.27361084 1.02017461 2.54216538 1 Sc Sc22 1 7.89693833 1.02017461 2.75910171 1 Sc Sc23 1 8.97304415 3.06052385 8.06036880 1 Sc Sc24 1 0.55117494 3.06052385 6.53098887 1 Sc Sc25 1 5.07215255 1.02017461 1.22972178 1 Sc Sc26 1 10.69548005 1.02017461 4.07154531 1 Sc Sc27 1 6.17450244 3.06052385 9.37281240 1 [/CIF]
P4Rh12Sc12
Pnma
62
orthorhombic
mmm
6,477.849116
false
[CIF] data_GeB2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05079754 _cell_length_b 4.05079754 _cell_length_c 4.05079754 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeB2Pd _chemical_formula_sum 'Ge1 B2 Pd1' _cell_volume 47.00094771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43217320 1.43217321 1.43217321 1 B B1 1 4.29651962 4.29651962 4.29651962 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 2.86434641 2.86434641 2.86434641 1 [/CIF]
B2GePd
Fm-3m
225
cubic
m-3m
7,090.076205
false
[CIF] data_Pb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.20734775 _cell_length_b 9.20734775 _cell_length_c 4.41796488 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 155.35981227 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb2W _chemical_formula_sum 'Pb4 W2' _cell_volume 156.15016619 _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 Pb Pb0 1 1.96459966 1.50622903 1.10449122 1 Pb Pb1 1 1.96459966 -1.50622903 3.31347366 1 Pb Pb2 1 1.96459966 -3.70240678 1.10449122 1 Pb Pb3 1 1.96459966 3.70240678 3.31347366 1 W W4 1 1.96459966 8.29237539 1.10449122 1 W W5 1 1.96459966 -8.29237539 3.31347366 1 [/CIF]
Pb4W2
Cmcm
63
orthorhombic
mmm
12,723.661017
false
[CIF] data_CoSiTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80408659 _cell_length_b 3.75734860 _cell_length_c 4.95837442 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSiTc2 _chemical_formula_sum 'Co1 Si1 Tc2' _cell_volume 52.24108988 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.47918721 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.40204329 1.87867430 1.23437219 1 Tc Tc3 1 1.40204329 1.87867430 3.72400223 1 [/CIF]
CoSiTc2
Pmmm
47
orthorhombic
mmm
9,053.661814
false
[CIF] data_NaNp2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78694462 _cell_length_b 4.78694462 _cell_length_c 4.78694462 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNp2B _chemical_formula_sum 'Na1 Np2 B1' _cell_volume 77.56400236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 3.38488100 3.38488100 3.38488100 1 Np Np2 1 5.07732150 5.07732150 5.07732150 1 Np Np3 1 1.69244050 1.69244050 1.69244050 1 [/CIF]
BNaNp2
Fm-3m
225
cubic
m-3m
10,871.319036
false
[CIF] data_V2CdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46170814 _cell_length_b 4.46170814 _cell_length_c 4.46170814 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CdCu _chemical_formula_sum 'V2 Cd1 Cu1' _cell_volume 62.80416918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57745204 1.57745204 1.57745204 1 Cu Cu1 1 3.15490408 3.15490408 3.15490408 1 V V2 1 4.73235612 4.73235612 4.73235612 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCuV2
F-43m
216
cubic
-43m
7,346.075591
false
[CIF] data_MgTlInPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42882711 _cell_length_b 5.42882711 _cell_length_c 5.42882711 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlInPb _chemical_formula_sum 'Mg1 Tl1 In1 Pb1' _cell_volume 113.13657683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.91938023 1.91938023 1.91938023 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 3.83876046 3.83876046 3.83876046 1 Tl Tl3 1 5.75814069 5.75814069 5.75814069 1 [/CIF]
InMgPbTl
F-43m
216
cubic
-43m
8,082.879569
false
[CIF] data_MgFeBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19473484 _cell_length_b 3.19473484 _cell_length_c 9.24330226 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.78164871 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFeBi2 _chemical_formula_sum 'Mg1 Fe1 Bi2' _cell_volume 89.31681325 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86014451 0.00000000 0.26994741 1 Bi Bi1 1 0.00000000 0.00000000 6.48873783 1 Fe Fe2 1 1.86014451 0.00000000 4.60065229 1 Mg Mg3 1 0.00000000 0.00000000 2.50561587 1 [/CIF]
Bi2FeMg
Cmm2
35
orthorhombic
mm2
9,260.657795
false
[CIF] data_Zr2ScRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83081481 _cell_length_b 4.83081481 _cell_length_c 3.35858789 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ScRu _chemical_formula_sum 'Zr2 Sc1 Ru1' _cell_volume 78.37859892 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 2.41540740 2.41540740 0.00000000 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 0.00000000 2.41540740 1.67929394 1 Zr Zr3 1 2.41540740 0.00000000 1.67929394 1 [/CIF]
RuScZr2
P4/mmm
123
tetragonal
4/mmm
6,959.090501
false
[CIF] data_KMn2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06044695 _cell_length_b 3.06044695 _cell_length_c 8.11118910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMn2Re _chemical_formula_sum 'K1 Mn2 Re1' _cell_volume 75.97211869 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 1.53022348 1.53022348 2.83105279 1 Mn Mn2 1 1.53022348 1.53022348 5.28013631 1 Re Re3 1 0.00000000 0.00000000 4.05559455 1 [/CIF]
KMn2Re
P4/mmm
123
tetragonal
4/mmm
7,326.132298
false
[CIF] data_KAsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70303884 _cell_length_b 4.70303884 _cell_length_c 4.01848014 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAsAu2 _chemical_formula_sum 'K1 As1 Au2' _cell_volume 88.88305167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.35151942 2.35151942 0.00000000 1 Au Au1 1 2.35151942 0.00000000 2.00924007 1 Au Au2 1 0.00000000 2.35151942 2.00924007 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsAu2K
P4/mmm
123
tetragonal
4/mmm
9,489.726643
false
[CIF] data_CsNa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53928694 _cell_length_b 7.53928694 _cell_length_c 12.54877600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsNa2 _chemical_formula_sum 'Cs4 Na8' _cell_volume 617.72125371 _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 0.00000000 4.35280935 0.79296004 1 Cs Cs1 1 -0.00000000 4.35280935 5.48142796 1 Cs Cs2 1 3.76964347 2.17640467 7.06734804 1 Cs Cs3 1 3.76964347 2.17640467 11.75581596 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 Na Na5 1 5.65873152 1.08573918 3.13719400 1 Na Na6 1 1.88055542 1.08573918 3.13719400 1 Na Na7 1 3.76964347 4.35773566 3.13719400 1 Na Na8 1 0.00000000 0.00000000 6.27438800 1 Na Na9 1 -0.00000000 2.17147836 9.41158200 1 Na Na10 1 1.88908805 5.44347484 9.41158200 1 Na Na11 1 -1.88908805 5.44347484 9.41158200 1 [/CIF]
Cs4Na8
P6_3/mmc
194
hexagonal
6/mmm
1,923.535028
false
[CIF] data_FeTcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06795876 _cell_length_b 6.06795876 _cell_length_c 6.06795876 _cell_angle_alpha 154.49872430 _cell_angle_beta 154.49872430 _cell_angle_gamma 36.37512088 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeTcW _chemical_formula_sum 'Fe1 Tc1 W1' _cell_volume 41.35870906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.44621681 1 Tc Tc1 1 -0.00000000 0.00000000 4.03269281 1 W W2 1 0.00000000 0.00000000 7.58030066 1 [/CIF]
FeTcW
I4mm
107
tetragonal
4mm
13,594.329418
false
[CIF] data_CrSn4Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13841295 _cell_length_b 6.13841295 _cell_length_c 6.13841295 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSn4Te _chemical_formula_sum 'Cr1 Sn4 Te1' _cell_volume 163.55103831 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 5.43051412 5.43051412 3.25051272 1 Sn Sn2 1 5.43051412 3.25051272 5.43051412 1 Sn Sn3 1 3.25051272 5.43051412 5.43051412 1 Sn Sn4 1 3.25051272 3.25051272 3.25051272 1 Te Te5 1 6.51077013 6.51077013 6.51077013 1 [/CIF]
CrSn4Te
F-43m
216
cubic
-43m
6,644.51123
false
[CIF] data_TlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19105633 _cell_length_b 3.19105633 _cell_length_c 8.60173871 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCr _chemical_formula_sum 'Tl2 Cr2' _cell_volume 87.59013332 _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 1.59552816 0.00000000 5.23127685 1 Cr Cr1 1 0.00000000 1.59552816 3.37046186 1 Tl Tl2 1 1.59552816 0.00000000 1.34438011 1 Tl Tl3 1 0.00000000 1.59552816 7.25735860 1 [/CIF]
Cr2Tl2
P4/nmm
129
tetragonal
4/mmm
9,720.912469
false
[CIF] data_SiMoSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45640387 _cell_length_b 4.45640387 _cell_length_c 6.53560508 _cell_angle_alpha 97.31029846 _cell_angle_beta 97.31029846 _cell_angle_gamma 43.23366069 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiMoSe2 _chemical_formula_sum 'Si1 Mo1 Se2' _cell_volume 88.06905322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56371570 0.00000000 4.31833682 1 Se Se1 1 7.16721315 -0.00000000 5.81446889 1 Se Se2 1 5.82383022 -0.00000000 2.30488084 1 Si Si3 1 3.92382187 0.00000000 3.74756196 1 [/CIF]
MoSe2Si
Cm
8
monoclinic
m
5,316.450116
false
[CIF] data_K2TcIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31187082 _cell_length_b 5.31187082 _cell_length_c 5.31187082 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TcIr _chemical_formula_sum 'K2 Tc1 Ir1' _cell_volume 105.98087907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.75605988 3.75605988 3.75605988 1 K K1 1 1.87802994 1.87802994 1.87802994 1 K K2 1 5.63408982 5.63408982 5.63408982 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrK2Tc
Fm-3m
225
cubic
m-3m
5,786.609447
false
[CIF] data_Hf4Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69205474 _cell_length_b 6.69205474 _cell_length_c 6.69205474 _cell_angle_alpha 139.97496575 _cell_angle_beta 139.97496575 _cell_angle_gamma 57.89131149 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Cr _chemical_formula_sum 'Hf4 Cr1' _cell_volume 122.85994755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29019128 -0.00000000 2.92803879 1 Hf Hf2 1 -0.00000000 0.00000000 4.66680308 1 Hf Hf3 1 0.00000000 0.00000000 7.04535206 1 Hf Hf4 1 -0.00000000 2.29019128 2.92803879 1 [/CIF]
CrHf4
I4/mmm
139
tetragonal
4/mmm
10,352.438306
false
[CIF] data_NaCaAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65378483 _cell_length_b 3.65378483 _cell_length_c 7.21759853 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaAl2 _chemical_formula_sum 'Na1 Ca1 Al2' _cell_volume 96.35597671 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82689242 1.82689242 1.55843629 1 Al Al1 1 1.82689242 1.82689242 5.65916224 1 Ca Ca2 1 0.00000000 0.00000000 3.60879927 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2CaNa
P4/mmm
123
tetragonal
4/mmm
2,016.836933
false
[CIF] data_Li2ReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58483710 _cell_length_b 3.58483710 _cell_length_c 4.59734041 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ReMo _chemical_formula_sum 'Li2 Re1 Mo1' _cell_volume 59.08068381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79241855 0.00000000 2.29867021 1 Li Li1 1 0.00000000 1.79241855 2.29867021 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 1.79241855 1.79241855 0.00000000 1 [/CIF]
Li2MoRe
P4/mmm
123
tetragonal
4/mmm
8,320.840221
false
[CIF] data_Y2MoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98390562 _cell_length_b 4.98390562 _cell_length_c 3.48868963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MoPd _chemical_formula_sum 'Y2 Mo1 Pd1' _cell_volume 86.65666128 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.49195281 2.49195281 0.00000000 1 Y Y2 1 2.49195281 0.00000000 1.74434482 1 Y Y3 1 0.00000000 2.49195281 1.74434482 1 [/CIF]
MoPdY2
P4/mmm
123
tetragonal
4/mmm
7,285.351027
false
[CIF] data_Ti2VMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44483895 _cell_length_b 4.44483895 _cell_length_c 4.44483895 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2VMo _chemical_formula_sum 'Ti2 V1 Mo1' _cell_volume 62.09449370 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57148788 1.57148788 1.57148788 1 Ti Ti1 1 4.71446364 4.71446364 4.71446364 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 3.14297576 3.14297576 3.14297576 1 [/CIF]
MoTi2V
F-43m
216
cubic
-43m
6,488.590254
false
[CIF] data_CaTcRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20220339 _cell_length_b 3.20220339 _cell_length_c 6.97870793 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTcRu2 _chemical_formula_sum 'Ca1 Tc1 Ru2' _cell_volume 71.56041470 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.29590319 1 Ru Ru1 1 1.60110170 1.60110170 0.34247444 1 Ru Ru2 1 0.00000000 0.00000000 1.83291835 1 Tc Tc3 1 1.60110170 1.60110170 2.99676591 1 [/CIF]
CaRu2Tc
P4mm
99
tetragonal
4mm
7,915.690022
false
[CIF] data_SrLaTcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06294833 _cell_length_b 5.06294833 _cell_length_c 5.06294833 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaTcRh _chemical_formula_sum 'Sr1 La1 Tc1 Rh1' _cell_volume 91.76889216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 3.58004510 3.58004510 3.58004510 1 Rh Rh1 1 1.79002255 1.79002255 1.79002255 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 5.37006765 5.37006765 5.37006765 1 [/CIF]
LaRhSrTc
F-43m
216
cubic
-43m
7,750.672234
false
[CIF] data_Y2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16532437 _cell_length_b 7.16532437 _cell_length_c 7.16532437 _cell_angle_alpha 152.33885111 _cell_angle_beta 152.33885111 _cell_angle_gamma 39.51867270 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2W _chemical_formula_sum 'Y2 W1' _cell_volume 79.14007659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy W W0 1 0.00000000 0.00000000 0.00000000 1 Y Y1 1 -0.00000000 0.00000000 4.95109172 1 Y Y2 1 0.00000000 0.00000000 8.53578188 1 [/CIF]
WY2
I4/mmm
139
tetragonal
4/mmm
7,588.276411
false
[CIF] data_K2TlW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84726929 _cell_length_b 5.84726929 _cell_length_c 5.84726929 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TlW _chemical_formula_sum 'K2 Tl1 W1' _cell_volume 141.36577829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06732188 2.06732188 2.06732188 1 K K1 1 6.20196565 6.20196565 6.20196565 1 Tl Tl2 1 4.13464377 4.13464377 4.13464377 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2TlW
Fm-3m
225
cubic
m-3m
5,478.755005
false
[CIF] data_VGa2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67247405 _cell_length_b 5.67247405 _cell_length_c 4.21811571 _cell_angle_alpha 90.41812004 _cell_angle_beta 90.41812004 _cell_angle_gamma 37.03359493 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGa2Te _chemical_formula_sum 'V1 Ga2 Te1' _cell_volume 81.74315720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.59647445 0.00000000 3.19498221 1 Ga Ga1 1 8.12869010 -0.00000000 1.02300858 1 Te Te2 1 5.36258228 -0.00000000 2.10899540 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2TeV
C2/m
12
monoclinic
2/m
6,459.631418
false
[CIF] data_ZnRe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77650867 _cell_length_b 4.00471051 _cell_length_c 5.40357565 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnRe2Mo _chemical_formula_sum 'Zn1 Re2 Mo1' _cell_volume 60.08297070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.70178782 1 Re Re1 1 1.38825434 2.00235525 4.08701519 1 Re Re2 1 1.38825434 2.00235525 1.31656046 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoRe2Zn
Pmmm
47
orthorhombic
mmm
14,751.59032
false
[CIF] data_TcW2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01600296 _cell_length_b 5.01600296 _cell_length_c 2.83286899 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.64869329 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcW2Cl _chemical_formula_sum 'Tc1 W2 Cl1' _cell_volume 63.70440662 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 2.63395366 0.00000000 0.00000000 1 W W2 1 1.31697683 -2.13439533 1.41643449 1 W W3 1 1.31697683 2.13439534 1.41643449 1 [/CIF]
ClTcW2
Cmmm
65
orthorhombic
mmm
13,086.311431
false
[CIF] data_Sr2HgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93240399 _cell_length_b 3.93240399 _cell_length_c 8.62797349 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2HgBr _chemical_formula_sum 'Sr2 Hg1 Br1' _cell_volume 133.42126630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 0.00000000 4.31398675 1 Sr Sr2 1 1.96620200 1.96620200 6.28329063 1 Sr Sr3 1 1.96620200 1.96620200 2.34468286 1 [/CIF]
BrHgSr2
P4/mmm
123
tetragonal
4/mmm
5,671.995819
false
[CIF] data_ScRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81646186 _cell_length_b 2.81646186 _cell_length_c 7.74727831 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.36900567 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScRu3 _chemical_formula_sum 'Sc1 Ru3' _cell_volume 61.43741373 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 1.96760515 0.00000000 2.10395750 1 Ru Ru1 1 1.96760515 0.00000000 5.64332081 1 Ru Ru2 1 0.00000000 0.00000000 3.87363916 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ru3Sc
Cmmm
65
orthorhombic
mmm
9,410.27728
false
[CIF] data_CaMo2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03941566 _cell_length_b 5.03941566 _cell_length_c 5.50504007 _cell_angle_alpha 105.86618610 _cell_angle_beta 105.86618610 _cell_angle_gamma 35.01618031 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMo2Ir _chemical_formula_sum 'Ca1 Mo2 Ir1' _cell_volume 76.85388687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 3.97264719 0.00000000 2.57452802 1 Ir Ir1 1 6.68383011 0.00000000 0.98907834 1 Mo Mo2 1 8.00494845 0.00000000 5.25772196 1 Mo Mo3 1 1.42303546 0.00000000 4.36363974 1 [/CIF]
CaIrMo2
Cm
8
monoclinic
m
9,165.776889
false
[CIF] data_Li3InP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90949284 _cell_length_b 4.90949284 _cell_length_c 4.90949284 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3InP _chemical_formula_sum 'Li3 In1 P1' _cell_volume 118.33409480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Li Li1 1 2.45474642 0.00000000 2.45474642 1 Li Li2 1 2.45474642 2.45474642 0.00000000 1 Li Li3 1 0.00000000 2.45474642 2.45474642 1 In In4 1 2.45474642 2.45474642 2.45474642 1 [/CIF]
InLi3P
Pm-3m
221
cubic
m-3m
2,338.044009
false
[CIF] data_Li2TiBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45656612 _cell_length_b 5.45656612 _cell_length_c 5.45656612 _cell_angle_alpha 123.45356982 _cell_angle_beta 123.45356982 _cell_angle_gamma 84.11557639 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiBi2 _chemical_formula_sum 'Li2 Ti1 Bi2' _cell_volume 108.25816946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.58464740 2.02566714 1 Bi Bi1 1 2.58464740 -0.00000000 2.02566714 1 Li Li2 1 0.00000000 0.00000000 5.22986848 1 Li Li3 1 0.00000000 -0.00000000 2.87280008 1 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2Li2Ti
I4/mmm
139
tetragonal
4/mmm
7,358.122417
false
[CIF] data_TlCd2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95908763 _cell_length_b 4.95908763 _cell_length_c 4.95908763 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCd2B _chemical_formula_sum 'Tl1 Cd2 B1' _cell_volume 86.23634660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.75330225 1.75330224 1.75330224 1 Cd Cd2 1 5.25990673 5.25990673 5.25990673 1 Tl Tl3 1 3.50660449 3.50660449 3.50660449 1 [/CIF]
BCd2Tl
Fm-3m
225
cubic
m-3m
8,472.810885
false
[CIF] data_TcBi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27832095 _cell_length_b 3.27832095 _cell_length_c 9.60906557 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcBi2Te _chemical_formula_sum 'Tc1 Bi2 Te1' _cell_volume 103.27235841 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Bi Bi1 1 1.63916048 1.63916048 3.00205216 1 Tc Tc2 1 0.00000000 0.00000000 4.96719226 1 Te Te3 1 1.63916048 1.63916048 6.44431396 1 [/CIF]
Bi2TcTe
P4mm
99
tetragonal
4mm
10,362.527273
false
[CIF] data_Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.24350982 _cell_length_b 2.24350982 _cell_length_c 2.24350982 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be _chemical_formula_sum Be1 _cell_volume 7.98488984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
Be
Fm-3m
225
cubic
m-3m
1,874.174922
false
[CIF] data_AlTlB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75051584 _cell_length_b 3.75051584 _cell_length_c 4.62005942 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTlB _chemical_formula_sum 'Al1 Tl1 B1' _cell_volume 56.28079221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.16536134 0.00000000 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.87525790 1.08268068 2.31002971 1 [/CIF]
AlBTl
P-6m2
187
hexagonal
-6m2
7,145.287504
false
[CIF] data_Ni2MoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98234054 _cell_length_b 4.98234054 _cell_length_c 2.65449065 _cell_angle_alpha 101.45535841 _cell_angle_beta 101.45535841 _cell_angle_gamma 113.11009491 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2MoAu _chemical_formula_sum 'Ni2 Mo1 Au1' _cell_volume 56.53463433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.74594508 0.00000000 0.00000000 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 0.89469325 2.07867163 1.23807475 1 Ni Ni3 1 0.89469325 -2.07867163 1.23807475 1 [/CIF]
AuMoNi2
C2/m
12
monoclinic
2/m
12,051.75176
false
[CIF] data_Ta2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80420057 _cell_length_b 4.47575337 _cell_length_c 8.77430011 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Hg _chemical_formula_sum 'Ta8 Hg4' _cell_volume 227.94026218 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.75909639 1.11893834 7.83104223 1 Hg Hg1 1 2.14300389 3.35681503 3.44389217 1 Hg Hg2 1 3.66119668 1.11893834 5.33040794 1 Hg Hg3 1 5.04510418 3.35681503 0.94325788 1 Ta Ta4 1 0.74108584 1.11893834 2.01555431 1 Ta Ta5 1 0.70985350 1.11893834 4.88921691 1 Ta Ta6 1 2.19224679 3.35681503 0.50206686 1 Ta Ta7 1 2.16101444 3.35681503 6.40270436 1 Ta Ta8 1 3.64318613 1.11893834 2.37159575 1 Ta Ta9 1 3.61195378 1.11893834 8.27223325 1 Ta Ta10 1 5.09434707 3.35681503 3.88508320 1 Ta Ta11 1 5.06311473 3.35681503 6.75874580 1 [/CIF]
Hg4Ta8
Pnma
62
orthorhombic
mmm
16,390.778355
false
[CIF] data_CaInTcRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71146875 _cell_length_b 4.71146875 _cell_length_c 4.71146875 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaInTcRu _chemical_formula_sum 'Ca1 In1 Tc1 Ru1' _cell_volume 73.95268489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.66575575 1.66575575 1.66575575 1 Ru Ru2 1 4.99726725 4.99726725 4.99726725 1 Tc Tc3 1 3.33151150 3.33151150 3.33151150 1 [/CIF]
CaInRuTc
F-43m
216
cubic
-43m
7,968.326676
false
[CIF] data_GaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99515331 _cell_length_b 3.99515331 _cell_length_c 3.99515331 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAs _chemical_formula_sum 'Ga1 As1' _cell_volume 45.09053125 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41250000 1.41250000 1.41250000 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As4Ga4
F-43m
216
cubic
-43m
5,326.794837
false
[CIF] data_BaTl2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11260644 _cell_length_b 4.11260644 _cell_length_c 7.50184759 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTl2Ag _chemical_formula_sum 'Ba1 Tl2 Ag1' _cell_volume 126.88273725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 3.44289786 1 Ba Ba1 1 2.05630322 2.05630322 5.54787031 1 Tl Tl2 1 0.00000000 0.00000000 0.25678922 1 Tl Tl3 1 2.05630322 2.05630322 2.00521393 1 [/CIF]
AgBaTl2
P4mm
99
tetragonal
4mm
8,558.525301
false
[CIF] data_SnOs2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42806268 _cell_length_b 8.42806268 _cell_length_c 8.42806268 _cell_angle_alpha 20.85497129 _cell_angle_beta 20.85497129 _cell_angle_gamma 20.85497129 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnOs2Se _chemical_formula_sum 'Sn1 Os2 Se1' _cell_volume 66.43393236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 0.00000000 6.28220184 1 Os Os1 1 0.00000000 -0.00000000 18.44365320 1 Se Se2 1 -0.00000000 0.00000000 -0.00000000 1 Sn Sn3 1 -0.00000000 0.00000000 12.36292752 1 [/CIF]
Os2SeSn
R-3m
166
trigonal
-3m
14,450.558861
false
[CIF] data_Y2CoGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24771001 _cell_length_b 3.24771001 _cell_length_c 8.06325145 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CoGe _chemical_formula_sum 'Y2 Co1 Ge1' _cell_volume 85.04811489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.46733602 1 Ge Ge1 1 1.62385501 1.62385501 5.54339942 1 Y Y2 1 0.00000000 0.00000000 7.57485088 1 Y Y3 1 1.62385501 1.62385501 2.57254232 1 [/CIF]
CoGeY2
P4mm
99
tetragonal
4mm
6,040.796784
false
[CIF] data_YZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40939202 _cell_length_b 3.40939202 _cell_length_c 5.39731433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZr _chemical_formula_sum 'Y1 Zr1' _cell_volume 54.33281699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 0.00000000 0.00000000 1 Zr Zr1 1 -0.00000000 1.96841340 2.69865717 1 [/CIF]
YZr
P-6m2
187
hexagonal
-6m2
5,505.193175
false
[CIF] data_Ba2LiCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05191194 _cell_length_b 4.05191194 _cell_length_c 9.36284230 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiCr _chemical_formula_sum 'Ba2 Li1 Cr1' _cell_volume 153.71905471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02595597 2.02595597 8.75482157 1 Ba Ba1 1 0.00000000 0.00000000 3.01671575 1 Cr Cr2 1 2.02595597 2.02595597 5.27604852 1 Li Li3 1 0.00000000 0.00000000 6.35952000 1 [/CIF]
Ba2CrLi
P4mm
99
tetragonal
4mm
3,603.593939
false
[CIF] data_Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96948643 _cell_length_b 4.96948643 _cell_length_c 4.96948643 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb _chemical_formula_sum Pb2 _cell_volume 86.77997671 _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 Pb Pb0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 1.75697878 1.75697878 1.75697878 1 [/CIF]
Pb2
Fd-3m
227
cubic
m-3m
7,929.641899
false
[CIF] data_LaPd2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65312643 _cell_length_b 3.65312643 _cell_length_c 6.92761351 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPd2Pb _chemical_formula_sum 'La1 Pd2 Pb1' _cell_volume 92.45130720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 0.00000000 0.00000000 3.46380675 1 Pd Pd2 1 1.82656321 1.82656321 5.18016034 1 Pd Pd3 1 1.82656321 1.82656321 1.74745317 1 [/CIF]
LaPbPd2
P4/mmm
123
tetragonal
4/mmm
10,039.347383
false
[CIF] data_BaTl2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69580173 _cell_length_b 5.69580173 _cell_length_c 5.69580173 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTl2Cd _chemical_formula_sum 'Ba1 Tl2 Cd1' _cell_volume 130.66208753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01377001 2.01377001 2.01377002 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 6.04131004 6.04131005 6.04131004 1 Tl Tl3 1 4.02754003 4.02754003 4.02754003 1 [/CIF]
BaCdTl2
F-43m
216
cubic
-43m
8,368.706137
false
[CIF] data_LiAs2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70214940 _cell_length_b 4.70214940 _cell_length_c 4.70214940 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAs2Au _chemical_formula_sum 'Li1 As2 Au1' _cell_volume 73.51471443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.98738259 4.98738259 4.98738259 1 As As1 1 3.32492173 3.32492173 3.32492173 1 Au Au2 1 1.66246087 1.66246087 1.66246087 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2AuLi
F-43m
216
cubic
-43m
7,990.467981
false
[CIF] data_YBCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64136465 _cell_length_b 3.64136465 _cell_length_c 8.04262286 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBCl2 _chemical_formula_sum 'Y1 B1 Cl2' _cell_volume 106.64145119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.34854508 1 Cl Cl1 1 1.82068232 1.82068232 7.79297478 1 Cl Cl2 1 0.00000000 0.00000000 2.59510443 1 Y Y3 1 1.82068232 1.82068232 5.36993285 1 [/CIF]
BCl2Y
P4mm
99
tetragonal
4mm
2,656.808872
false
[CIF] data_LiTi4Mn(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63910163 _cell_length_b 8.63910163 _cell_length_c 8.63910163 _cell_angle_alpha 60.14056549 _cell_angle_beta 60.14056549 _cell_angle_gamma 60.14056549 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTi4Mn(PO4)6 _chemical_formula_sum 'Li1 Ti4 Mn1 P6 O24' _cell_volume 457.37393048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 -0.00000000 -0.00000000 13.64094216 1 Ti Ti2 1 0.00000000 -0.00000000 18.13807035 1 Ti Ti3 1 -0.00000000 0.00000000 3.00081238 1 Ti Ti4 1 -0.00000000 0.00000000 7.49794056 1 Mn Mn5 1 0.00000000 0.00000000 10.56944136 1 P P6 1 -3.06766791 0.30759788 12.31431521 1 P P7 1 1.26744638 -2.81047728 12.31431521 1 P P8 1 1.80022153 2.50287940 12.31431521 1 P P9 1 -1.80022153 -2.50287940 8.82456752 1 P P10 1 -1.26744638 2.81047728 8.82456752 1 P P11 1 3.06766791 -0.30759788 8.82456752 1 O O12 1 3.49264049 -1.09746956 10.07625714 1 O O13 1 -2.69675677 -2.47598061 10.07625714 1 O O14 1 -1.51798433 0.17034733 12.23290937 1 O O15 1 -0.79588372 3.57345017 10.07625714 1 O O16 1 0.82008130 -1.43660223 6.54326634 1 O O17 1 -3.70325894 -1.09481542 12.38460199 1 O O18 1 0.61146705 -1.39978665 12.23290937 1 O O19 1 2.79976744 -2.65970860 12.38460199 1 O O20 1 1.65417467 -0.00808988 14.59561638 1 O O21 1 0.90349150 3.75452403 12.38460199 1 O O22 1 -0.90651728 -1.22943932 8.90597336 1 O O23 1 -0.83409338 -1.42851235 14.59561638 1 O O24 1 0.83409338 1.42851235 6.54326634 1 O O25 1 0.90651728 1.22943932 12.23290937 1 O O26 1 -0.90349150 -3.75452403 8.75428073 1 O O27 1 -1.65417467 0.00808988 6.54326634 1 O O28 1 -2.79976744 2.65970860 8.75428073 1 O O29 1 -0.61146705 1.39978665 8.90597336 1 O O30 1 3.70325894 1.09481542 8.75428073 1 O O31 1 -0.82008130 1.43660223 14.59561638 1 O O32 1 0.79588372 -3.57345017 11.06262559 1 O O33 1 1.51798433 -0.17034733 8.90597336 1 O O34 1 2.69675677 2.47598061 11.06262559 1 O O35 1 -3.49264049 1.09746956 11.06262559 1 [/CIF]
LiMnO24P6Ti4
R-3
148
trigonal
-3
2,988.615
false
[CIF] data_SiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64799104 _cell_length_b 3.64799104 _cell_length_c 6.30802931 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAs _chemical_formula_sum 'Si2 As2' _cell_volume 72.69957297 _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 As As0 1 1.82399552 1.05308430 4.73102198 1 As As1 1 0.00000000 2.10616861 1.57700733 1 Si Si2 1 0.00000000 0.00000000 3.15401466 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2Si2
P6_3/mmc
194
hexagonal
6/mmm
4,705.593355
false
[CIF] data_V2CoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20969748 _cell_length_b 4.20969748 _cell_length_c 2.97947700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CoRh _chemical_formula_sum 'V2 Co1 Rh1' _cell_volume 52.80095919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 2.10484874 2.10484874 0.00000000 1 V V2 1 2.10484874 0.00000000 1.48973850 1 V V3 1 0.00000000 2.10484874 1.48973850 1 [/CIF]
CoRhV2
P4/mmm
123
tetragonal
4/mmm
8,293.792082
false
[CIF] data_Sc2NbTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99030414 _cell_length_b 4.56029007 _cell_length_c 5.65578086 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.57214822 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2NbTc _chemical_formula_sum 'Sc2 Nb1 Tc1' _cell_volume 74.64490950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 1.64575962 2.28014503 1.43603292 1 Sc Sc2 1 -0.07844384 2.28014503 4.03781045 1 Tc Tc3 1 0.78365789 0.00000000 2.73692169 1 [/CIF]
NbSc2Tc
P2/m
10
monoclinic
2/m
6,267.197348
false
[CIF] data_TiMnSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17694481 _cell_length_b 4.17694481 _cell_length_c 4.17694481 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnSi2 _chemical_formula_sum 'Ti1 Mn1 Si2' _cell_volume 51.53012704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95354600 2.95354600 2.95354600 1 Si Si1 1 1.47677300 1.47677300 1.47677300 1 Si Si2 1 4.43031900 4.43031900 4.43031900 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnSi2Ti
Fm-3m
225
cubic
m-3m
5,122.943578
false
[CIF] data_MgGa2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22197886 _cell_length_b 5.22197886 _cell_length_c 5.22197886 _cell_angle_alpha 146.17762738 _cell_angle_beta 126.27218390 _cell_angle_gamma 65.01449087 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGa2Ni _chemical_formula_sum 'Mg1 Ga2 Ni1' _cell_volume 63.13977985 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51901618 -0.00000000 2.49056813 1 Ga Ga1 1 -0.00000000 2.35967050 1.91324933 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 0.00000000 0.00000000 4.40381746 1 [/CIF]
Ga2MgNi
Immm
71
orthorhombic
mmm
5,850.156862
false
[CIF] data_BeNbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53692754 _cell_length_b 4.53692754 _cell_length_c 4.53692754 _cell_angle_alpha 124.14427752 _cell_angle_beta 124.14427752 _cell_angle_gamma 82.96027459 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbW2 _chemical_formula_sum 'Be1 Nb1 W2' _cell_volume 61.38941572 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 2.12491315 -0.00000000 1.69949991 1 W W2 1 0.00000000 -0.00000000 3.39899981 1 W W3 1 0.00000000 2.12491315 1.69949991 1 [/CIF]
BeNbW2
I-4m2
119
tetragonal
-42m
12,702.299716
false
[CIF] data_PuTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81208300 _cell_length_b 3.81208300 _cell_length_c 3.81208300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuTe _chemical_formula_sum 'Pu1 Te1' _cell_volume 55.39710171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pu Pu0 1 1.90604150 1.90604150 1.90604150 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PuTe
Pm-3m
221
cubic
m-3m
11,138.783404
false
[CIF] data_BeTlTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62066304 _cell_length_b 8.62066304 _cell_length_c 8.62066304 _cell_angle_alpha 156.12029502 _cell_angle_beta 154.97550900 _cell_angle_gamma 34.86267111 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTlTe2 _chemical_formula_sum 'Be1 Tl1 Te2' _cell_volume 109.58445444 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.19503245 1 Te Te1 1 -0.00000000 1.86765171 6.77838187 1 Te Te2 1 -0.00000000 0.00000000 3.82219522 1 Tl Tl3 1 0.00000000 1.86765171 0.87871026 1 [/CIF]
BeTe2Tl
Imm2
44
orthorhombic
mm2
7,100.652262
false
[CIF] data_CrAgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51371508 _cell_length_b 4.51371508 _cell_length_c 4.51371508 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAgSn _chemical_formula_sum 'Cr1 Ag1 Sn1' _cell_volume 65.02605788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59583927 1.59583927 1.59583927 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.19167854 3.19167854 3.19167854 1 [/CIF]
AgCrSn
F-43m
216
cubic
-43m
7,113.817494
false
[CIF] data_VCrPbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69796159 _cell_length_b 4.69796159 _cell_length_c 4.69796159 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCrPbAu _chemical_formula_sum 'V1 Cr1 Pb1 Au1' _cell_volume 73.31846907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.98294075 4.98294075 4.98294075 1 Cr Cr1 1 3.32196050 3.32196050 3.32196050 1 Pb Pb2 1 1.66098025 1.66098025 1.66098025 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCrPbV
F-43m
216
cubic
-43m
11,485.050004
false
[CIF] data_BeBrCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85027122 _cell_length_b 4.85027122 _cell_length_c 4.85027122 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeBrCl2 _chemical_formula_sum 'Be1 Br1 Cl2' _cell_volume 80.68319269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Br Br1 1 3.42965967 3.42965967 3.42965967 1 Cl Cl2 1 1.71482984 1.71482983 1.71482983 1 Cl Cl3 1 5.14448951 5.14448951 5.14448951 1 [/CIF]
BeBrCl2
Fm-3m
225
cubic
m-3m
3,289.296916
false
[CIF] data_BaNa2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.09216234 _cell_length_b 7.09216234 _cell_length_c 5.80722948 _cell_angle_alpha 112.50287457 _cell_angle_beta 112.50287457 _cell_angle_gamma 31.98748406 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNa2Ga _chemical_formula_sum 'Ba1 Na2 Ga1' _cell_volume 141.94072391 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.66158908 -0.00000000 2.66355602 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 2.16616578 0.00000000 4.27768024 1 Na Na3 1 9.15701237 -0.00000000 1.04943180 1 [/CIF]
BaGaNa2
C2/m
12
monoclinic
2/m
2,960.147181
false
[CIF] data_CaMgVPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83929226 _cell_length_b 4.83929226 _cell_length_c 4.83929226 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgVPd _chemical_formula_sum 'Ca1 Mg1 V1 Pd1' _cell_volume 80.13653402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71094818 1.71094818 1.71094818 1 Mg Mg1 1 0.00000000 -0.00000000 0.00000000 1 Pd Pd2 1 5.13284456 5.13284456 5.13284456 1 V V3 1 3.42189637 3.42189637 3.42189637 1 [/CIF]
CaMgPdV
F-43m
216
cubic
-43m
4,594.850645
false
[CIF] data_GaReGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29106722 _cell_length_b 4.34486974 _cell_length_c 4.91090568 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.93082910 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaReGe2 _chemical_formula_sum 'Ga1 Re1 Ge2' _cell_volume 66.42404981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.20597183 0.00000000 3.20500228 1 Ge Ge1 1 0.23478074 2.17243487 0.34052973 1 Ge Ge2 1 1.87945460 0.00000000 1.04965601 1 Re Re3 1 1.87208587 2.17243487 2.37273108 1 [/CIF]
GaGe2Re
Pm
6
monoclinic
m
10,029.874433
false
[CIF] data_CaScZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97242223 _cell_length_b 4.97242223 _cell_length_c 3.45202715 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaScZn2 _chemical_formula_sum 'Ca1 Sc1 Zn2' _cell_volume 85.35131220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 2.48621112 2.48621112 0.00000000 1 Zn Zn2 1 2.48621112 0.00000000 1.72601358 1 Zn Zn3 1 0.00000000 2.48621112 1.72601358 1 [/CIF]
CaScZn2
P4/mmm
123
tetragonal
4/mmm
4,198.345387
false
[CIF] data_MgTl2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26023196 _cell_length_b 5.26023196 _cell_length_c 5.26023196 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTl2Ge _chemical_formula_sum 'Mg1 Tl2 Ge1' _cell_volume 102.91997907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85977284 1.85977285 1.85977284 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.57931854 5.57931854 5.57931854 1 Tl Tl3 1 3.71954569 3.71954569 3.71954569 1 [/CIF]
GeMgTl2
F-43m
216
cubic
-43m
8,159.289147
false
[CIF] data_CsCaTa6Cl18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42961513 _cell_length_b 9.42961513 _cell_length_c 17.58142800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsCaTa6Cl18 _chemical_formula_sum 'Cs2 Ca2 Ta12 Cl36' _cell_volume 1353.85674484 _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 Cs Cs0 1 0.00000000 5.44419083 13.18607100 1 Cs Cs1 1 4.71480757 2.72209542 4.39535700 1 Ca Ca2 1 4.71480757 2.72209542 13.18607100 1 Ca Ca3 1 -0.00000000 5.44419083 4.39535700 1 Ta Ta4 1 7.76093158 0.30918104 9.99235186 1 Ta Ta5 1 -3.04612401 7.85710521 7.58907614 1 Ta Ta6 1 5.28139071 6.56657338 9.99235186 1 Ta Ta7 1 4.14822443 6.56657338 16.37979014 1 Ta Ta8 1 -0.56658314 1.59971287 7.58907614 1 Ta Ta9 1 0.56658314 1.59971287 1.20163786 1 Ta Ta10 1 1.10210041 1.29053183 9.99235186 1 Ta Ta11 1 8.32751472 1.29053183 16.37979014 1 Ta Ta12 1 3.61270715 6.87575442 7.58907614 1 Ta Ta13 1 -3.61270715 6.87575442 1.20163786 1 Ta Ta14 1 1.66868355 0.30918104 16.37979014 1 Ta Ta15 1 3.04612401 7.85710521 1.20163786 1 Cl Cl16 1 5.67704793 0.63860086 11.54598749 1 Cl Cl17 1 -0.96224036 7.52768539 6.03544051 1 Cl Cl18 1 6.03804660 4.59716729 11.54598749 1 Cl Cl19 1 3.39156853 4.59716729 14.82615451 1 Cl Cl20 1 -1.32323903 3.56911896 6.03544051 1 Cl Cl21 1 1.32323903 3.56911896 2.75527349 1 Cl Cl22 1 2.42932817 2.93051810 11.54598749 1 Cl Cl23 1 7.00028696 2.93051810 14.82615451 1 Cl Cl24 1 2.28547939 5.23576815 6.03544051 1 Cl Cl25 1 -2.28547939 5.23576815 2.75527349 1 Cl Cl26 1 3.75256720 0.63860086 14.82615451 1 Cl Cl27 1 0.96224036 7.52768539 2.75527349 1 Cl Cl28 1 -0.67038434 1.87496027 11.58631928 1 Cl Cl29 1 5.38519191 6.29132598 5.99510872 1 Cl Cl30 1 3.42623651 6.64823625 11.58631928 1 Cl Cl31 1 -3.42623651 6.64823625 14.78582272 1 Cl Cl32 1 1.28857105 1.51805001 5.99510872 1 Cl Cl33 1 8.14104408 1.51805001 2.79560528 1 Cl Cl34 1 -2.75585217 7.80937599 11.58631928 1 Cl Cl35 1 2.75585217 7.80937599 14.78582272 1 Cl Cl36 1 7.47065974 0.35691026 5.99510872 1 Cl Cl37 1 1.95895540 0.35691026 2.79560528 1 Cl Cl38 1 0.67038434 1.87496027 14.78582272 1 Cl Cl39 1 4.04442322 6.29132598 2.79560528 1 Cl Cl40 1 0.62728629 3.37557253 8.79088981 1 Cl Cl41 1 4.08752128 4.79071372 8.79053819 1 Cl Cl42 1 1.47783286 7.02174585 8.79088981 1 Cl Cl43 1 -1.47783286 7.02174585 0.00000000 1 Cl Cl44 1 3.23697471 1.14454041 8.79053819 1 Cl Cl45 1 6.19264042 1.14454041 0.00017581 1 Cl Cl46 1 -2.10511914 5.93525413 8.79088981 1 Cl Cl47 1 2.10511914 5.93525413 0.00000000 1 Cl Cl48 1 6.81992671 2.23103213 8.79053819 1 Cl Cl49 1 2.60968842 2.23103213 0.00017581 1 Cl Cl50 1 -0.62728629 3.37557253 0.00000000 1 Cl Cl51 1 5.34209385 4.79071372 0.00017581 1 [/CIF]
Ca2Cl36Cs2Ta12
P-31c
163
trigonal
-3m
4,653.005406
true
[CIF] data_AgB2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00647487 _cell_length_b 3.05661774 _cell_length_c 5.20764009 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgB2Mo _chemical_formula_sum 'Ag1 B2 Mo1' _cell_volume 47.85636078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50323744 0.00000000 2.60382005 1 B B1 1 1.50323744 1.52830887 4.34308919 1 B B2 1 1.50323744 1.52830887 0.86455090 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgB2Mo
Pmmm
47
orthorhombic
mmm
7,822.808764
false
[CIF] data_Y2NbIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25605797 _cell_length_b 3.25605797 _cell_length_c 9.46404145 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2NbIn _chemical_formula_sum 'Y2 Nb1 In1' _cell_volume 100.33694885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.73202073 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.62802899 1.62802899 2.27227698 1 Y Y3 1 1.62802899 1.62802899 7.19176447 1 [/CIF]
InNbY2
P4/mmm
123
tetragonal
4/mmm
6,380.478276
false
[CIF] data_FeBi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30780186 _cell_length_b 3.30780186 _cell_length_c 9.37245624 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeBi2Pb _chemical_formula_sum 'Fe1 Bi2 Pb1' _cell_volume 102.54922805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.37183391 1 Bi Bi1 1 1.65390093 1.65390093 3.05589123 1 Fe Fe2 1 0.00000000 0.00000000 4.58748929 1 Pb Pb3 1 1.65390093 1.65390093 6.42390897 1 [/CIF]
Bi2FePb
P4mm
99
tetragonal
4mm
11,027.270813
false
[CIF] data_K2YSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32734567 _cell_length_b 5.32734567 _cell_length_c 9.85311506 _cell_angle_alpha 95.13516941 _cell_angle_beta 95.13516941 _cell_angle_gamma 42.25733686 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2YSn _chemical_formula_sum 'K2 Y1 Sn1' _cell_volume 187.17770250 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01435459 0.00000000 0.48154591 1 K K1 1 1.57168044 0.00000000 6.68221292 1 Sn Sn2 1 4.54163750 0.00000000 4.32993385 1 Y Y3 1 7.36173887 0.00000000 3.21777950 1 [/CIF]
K2SnY
Cm
8
monoclinic
m
2,535.573055
false
[CIF] data_SmFeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68044100 _cell_length_b 7.81482200 _cell_length_c 5.44908600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmFeO3 _chemical_formula_sum 'Sm4 Fe4 O12' _cell_volume 241.89383841 _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 Sm Sm0 1 0.34364396 1.95370550 2.80795761 1 Sm Sm1 1 3.18386446 1.95370550 5.36567139 1 Sm Sm2 1 5.33679704 5.86111650 2.64112839 1 Sm Sm3 1 2.49657654 5.86111650 0.08341461 1 Fe Fe4 1 2.84022050 0.00000000 2.72454300 1 Fe Fe5 1 0.00000000 3.90741100 0.00000000 1 Fe Fe6 1 2.84022050 3.90741100 2.72454300 1 Fe Fe7 1 0.00000000 0.00000000 0.00000000 1 O O8 1 2.64879532 1.95370550 2.16579372 1 O O9 1 5.48901582 1.95370550 0.55874928 1 O O10 1 3.03164568 5.86111650 3.28329228 1 O O11 1 0.19142518 5.86111650 4.89033672 1 O O12 1 1.70968777 0.41892916 4.37169272 1 O O13 1 4.54990827 3.48848184 3.80193628 1 O O14 1 3.97075323 4.32634016 1.07739328 1 O O15 1 1.13053273 7.39589284 1.64714972 1 O O16 1 3.97075323 7.39589284 1.07739328 1 O O17 1 1.13053273 4.32634016 1.64714972 1 O O18 1 1.70968777 3.48848184 4.37169272 1 O O19 1 4.54990827 0.41892916 3.80193628 1 [/CIF]
Fe4O12Sm4
Pnma
62
orthorhombic
mmm
6,980.158688
false
[CIF] data_AgSbPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19573778 _cell_length_b 4.19573778 _cell_length_c 4.02675223 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSbPt2 _chemical_formula_sum 'Ag1 Sb1 Pt2' _cell_volume 70.88781410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 2.09786889 2.01337611 1 Pt Pt2 1 2.09786889 0.00000000 2.01337611 1 Sb Sb3 1 2.09786889 2.09786889 0.00000000 1 [/CIF]
AgPt2Sb
P4/mmm
123
tetragonal
4/mmm
14,518.656225
false
[CIF] data_BeFe4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55747498 _cell_length_b 4.55747498 _cell_length_c 4.55747498 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeFe4Ru _chemical_formula_sum 'Be1 Fe4 Ru1' _cell_volume 66.93571088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.03373122 4.03373122 2.41151170 1 Fe Fe2 1 4.03373122 2.41151170 4.03373122 1 Fe Fe3 1 2.41151170 4.03373122 4.03373122 1 Fe Fe4 1 2.41151170 2.41151170 2.41151170 1 Ru Ru5 1 4.83393219 4.83393219 4.83393219 1 [/CIF]
BeFe4Ru
F-43m
216
cubic
-43m
8,272.519604
false
[CIF] data_KNaMgTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31421724 _cell_length_b 5.31421724 _cell_length_c 5.31421724 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaMgTc _chemical_formula_sum 'K1 Na1 Mg1 Tc1' _cell_volume 106.12138640 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.63657858 5.63657858 5.63657858 1 Mg Mg1 1 1.87885952 1.87885952 1.87885952 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.75771905 3.75771905 3.75771905 1 [/CIF]
KMgNaTc
F-43m
216
cubic
-43m
2,899.478476
false
[CIF] data_V2CuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41315861 _cell_length_b 4.41315861 _cell_length_c 4.41315861 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CuBr _chemical_formula_sum 'V2 Cu1 Br1' _cell_volume 60.77620964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 4.68086157 4.68086157 4.68086157 1 Cu Cu1 1 3.12057438 3.12057438 3.12057438 1 V V2 1 1.56028719 1.56028719 1.56028719 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrCuV2
F-43m
216
cubic
-43m
6,703.034513
false
[CIF] data_ScSiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75324276 _cell_length_b 4.75324276 _cell_length_c 4.75324276 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSiGe2 _chemical_formula_sum 'Sc1 Si1 Ge2' _cell_volume 75.93727159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.04157528 5.04157528 5.04157528 1 Ge Ge1 1 3.36105019 3.36105019 3.36105019 1 Sc Sc2 1 1.68052509 1.68052510 1.68052510 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2ScSi
F-43m
216
cubic
-43m
4,774.088219
false
[CIF] data_Sr2BeCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75774851 _cell_length_b 3.75774851 _cell_length_c 7.54507239 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2BeCu _chemical_formula_sum 'Sr2 Be1 Cu1' _cell_volume 106.54150648 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 0.00000000 0.00000000 3.77253620 1 Sr Sr2 1 1.87887425 1.87887425 5.68283618 1 Sr Sr3 1 1.87887425 1.87887425 1.86223621 1 [/CIF]
BeCuSr2
P4/mmm
123
tetragonal
4/mmm
3,862.221467
false
[CIF] data_SnSeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44989532 _cell_length_b 5.44989532 _cell_length_c 5.44989532 _cell_angle_alpha 129.82162799 _cell_angle_beta 129.82162799 _cell_angle_gamma 73.69208297 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnSeCl2 _chemical_formula_sum 'Sn1 Se1 Cl2' _cell_volume 93.16228107 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.31091093 2.18063869 1 Cl Cl1 1 2.31091093 -0.00000000 2.18063869 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 -0.00000000 0.00000000 4.36127738 1 [/CIF]
Cl2SeSn
I4/mmm
139
tetragonal
4/mmm
4,787.140624
false
[CIF] data_MgNb2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43172111 _cell_length_b 4.43172111 _cell_length_c 4.43172111 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNb2B _chemical_formula_sum 'Mg1 Nb2 B1' _cell_volume 61.54634533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 4.70055007 4.70055008 4.70055007 1 Nb Nb2 1 3.13370005 3.13370005 3.13370005 1 Nb Nb3 1 1.56685003 1.56685003 1.56685002 1 [/CIF]
BMgNb2
F-43m
216
cubic
-43m
5,960.724962
false
[CIF] data_ScCdHgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78414356 _cell_length_b 4.78414356 _cell_length_c 4.78414356 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCdHgPd _chemical_formula_sum 'Sc1 Cd1 Hg1 Pd1' _cell_volume 77.42792320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69145017 1.69145017 1.69145017 1 Hg Hg1 1 5.07435052 5.07435052 5.07435052 1 Pd Pd2 1 3.38290035 3.38290035 3.38290035 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdHgPdSc
F-43m
216
cubic
-43m
9,959.14616
false
[CIF] data_Co4SiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75513685 _cell_length_b 4.75513685 _cell_length_c 4.75513685 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co4SiAg _chemical_formula_sum 'Co4 Si1 Ag1' _cell_volume 76.02808681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68119475 1.68119475 1.68119475 1 Co Co1 1 2.51841259 2.51841259 4.20636643 1 Co Co2 1 2.51841259 4.20636643 2.51841259 1 Co Co3 1 4.20636643 2.51841259 2.51841259 1 Co Co4 1 4.20636643 4.20636643 4.20636643 1 Si Si5 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
AgCo4Si
F-43m
216
cubic
-43m
8,118.051453
false
[CIF] data_CaLa2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04277952 _cell_length_b 4.00657651 _cell_length_c 7.41709792 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.35041121 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLa2P _chemical_formula_sum 'Ca1 La2 P1' _cell_volume 119.61652253 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.34580970 0.00000000 3.69239097 1 La La1 1 1.72864139 2.00328826 5.88498685 1 La La2 1 1.62251873 2.00328826 1.49979508 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaLa2P
P2/m
10
monoclinic
2/m
4,842.977653
false
[CIF] data_NaScAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63521957 _cell_length_b 4.63521957 _cell_length_c 4.63521957 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaScAlPt _chemical_formula_sum 'Na1 Sc1 Al1 Pt1' _cell_volume 70.41998634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63879759 1.63879759 1.63879760 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.27759519 3.27759519 3.27759519 1 Sc Sc3 1 4.91639279 4.91639279 4.91639279 1 [/CIF]
AlNaPtSc
F-43m
216
cubic
-43m
6,838.611954
false
[CIF] data_Ga2RuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82843030 _cell_length_b 4.82843030 _cell_length_c 4.82843030 _cell_angle_alpha 129.43548466 _cell_angle_beta 129.43548466 _cell_angle_gamma 74.31086250 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2RuSe _chemical_formula_sum 'Ga2 Ru1 Se1' _cell_volume 65.45613569 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 2.06211579 1.92412942 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 2.06211579 -0.00000000 1.92412942 1 Se Se3 1 0.00000000 0.00000000 3.84825884 1 [/CIF]
Ga2RuSe
I-4m2
119
tetragonal
-42m
8,104.700548
false
[CIF] data_Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48013558 _cell_length_b 2.48013558 _cell_length_c 4.01498467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn _chemical_formula_sum Mn2 _cell_volume 21.38776330 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 -0.00000000 1.43190695 1.00374617 1 Mn Mn1 1 1.24006779 0.71595347 3.01123850 1 [/CIF]
Mn2
P6_3/mmc
194
hexagonal
6/mmm
8,530.7443
false
[CIF] data_TbHfTh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48819900 _cell_length_b 5.48819900 _cell_length_c 5.48819900 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbHfTh2 _chemical_formula_sum 'Tb1 Hf1 Th2' _cell_volume 116.88924470 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.88074273 3.88074273 3.88074273 1 Tb Tb1 1 0.00000000 0.00000000 0.00000000 1 Th Th2 1 1.94037136 1.94037136 1.94037136 1 Th Th3 1 5.82111409 5.82111409 5.82111409 1 [/CIF]
HfTbTh2
Fm-3m
225
cubic
m-3m
11,386.059521
false
[CIF] data_AlV(WO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96916157 _cell_length_b 5.46409792 _cell_length_c 5.58066950 _cell_angle_alpha 72.09201615 _cell_angle_beta 70.89442355 _cell_angle_gamma 89.32227135 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlV(WO4)2 _chemical_formula_sum 'Al1 V1 W2 O8' _cell_volume 135.57659989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 2.51689634 2.73185783 0.00000000 1 W W2 1 2.19627067 4.58325837 2.57304597 1 W W3 1 4.66413019 2.57496581 2.42055149 1 O O4 1 1.38109909 5.55148694 1.22139399 1 O O5 1 2.85520576 5.64537438 4.07674300 1 O O6 1 1.49609055 2.85899753 1.61908409 1 O O7 1 3.04450950 3.01671128 3.77534943 1 O O8 1 4.00519510 1.51284980 0.91685445 1 O O9 1 5.47930177 1.60673724 3.77220346 1 O O10 1 5.36431031 4.29922666 3.37451336 1 O O11 1 3.81589137 4.14151290 1.21824802 1 [/CIF]
AlO8VW2
P-1
2
triclinic
-1
7,025.417989
false
[CIF] data_Fe2SbOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86596410 _cell_length_b 2.86596410 _cell_length_c 8.40854506 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.99438341 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2SbOs _chemical_formula_sum 'Fe2 Sb1 Os1' _cell_volume 63.09739979 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56103373 -0.00000000 8.20854353 1 Fe Fe1 1 0.00000000 0.00000000 6.36386682 1 Os Os2 1 1.56103373 -0.00000000 4.39734878 1 Sb Sb3 1 0.00000000 0.00000000 2.05160360 1 [/CIF]
Fe2OsSb
Cmm2
35
orthorhombic
mm2
11,150.018765
false
[CIF] data_MnTlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30919568 _cell_length_b 3.30919568 _cell_length_c 7.32377323 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlSn _chemical_formula_sum 'Mn1 Tl1 Sn1' _cell_volume 69.45610364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.06350327 1 Sn Sn1 1 0.00000000 1.91056501 2.18815698 1 Tl Tl2 1 1.65459784 0.95528251 5.07211299 1 [/CIF]
MnSnTl
P3m1
156
trigonal
3m
9,037.878363
false
[CIF] data_LaTc2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79114866 _cell_length_b 4.79114866 _cell_length_c 5.76224141 _cell_angle_alpha 111.84000293 _cell_angle_beta 111.84000293 _cell_angle_gamma 54.38591707 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTc2Sb _chemical_formula_sum 'La1 Tc2 Sb1' _cell_volume 97.67529168 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 3.05658553 -0.00000000 2.61702279 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 0.30383840 0.00000000 4.99302018 1 Tc Tc3 1 5.80933266 -0.00000000 0.24102539 1 [/CIF]
LaSbTc2
C2/m
12
monoclinic
2/m
7,794.401237
false
[CIF] data_Sc2SnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51374226 _cell_length_b 4.63863126 _cell_length_c 6.00740051 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2SnBr _chemical_formula_sum 'Sc2 Sn1 Br1' _cell_volume 97.91434870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75687113 2.31931563 0.00000000 1 Sc Sc1 1 1.75687113 0.00000000 3.00370026 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 2.31931563 3.00370026 1 [/CIF]
BrSc2Sn
Pmmm
47
orthorhombic
mmm
4,893.137817
false
[CIF] data_Ba2CuTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83715276 _cell_length_b 6.83715276 _cell_length_c 6.83715276 _cell_angle_alpha 146.80605327 _cell_angle_beta 135.60197445 _cell_angle_gamma 56.54245451 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CuTc _chemical_formula_sum 'Ba2 Cu1 Tc1' _cell_volume 121.51432723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.82145756 1 Ba Ba1 1 -0.00000000 2.58324611 3.22752751 1 Cu Cu2 1 0.00000000 -0.00000000 0.75560790 1 Tc Tc3 1 1.95294889 0.00000000 2.23857740 1 [/CIF]
Ba2CuTc
Imm2
44
orthorhombic
mm2
5,973.380425
false