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_CoMoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07079567 _cell_length_b 4.07079567 _cell_length_c 4.07079567 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoMoRu _chemical_formula_sum 'Co1 Mo1 Ru1' _cell_volume 47.70049792 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.31773083 4.31773083 4.31773083 1 Ru Ru2 1 2.87848722 2.87848722 2.87848722 1 [/CIF]
CoMoRu
F-43m
216
cubic
-43m
8,910.533504
false
[CIF] data_NaAlSnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74860755 _cell_length_b 4.74860755 _cell_length_c 4.74860755 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlSnW _chemical_formula_sum 'Na1 Al1 Sn1 W1' _cell_volume 75.71533327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67888630 1.67888630 1.67888630 1 Na Na1 1 -0.00000000 -0.00000000 -0.00000000 1 Sn Sn2 1 5.03665890 5.03665890 5.03665890 1 W W3 1 3.35777260 3.35777260 3.35777260 1 [/CIF]
AlNaSnW
F-43m
216
cubic
-43m
7,731.266288
false
[CIF] data_BaSb2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33467812 _cell_length_b 6.33467812 _cell_length_c 5.92838958 _cell_angle_alpha 116.63324946 _cell_angle_beta 116.63324946 _cell_angle_gamma 40.01217140 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSb2Te _chemical_formula_sum 'Ba1 Sb2 Te1' _cell_volume 134.42705938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.11908639 0.00000000 1.27049421 1 Sb Sb1 1 8.79324530 -0.00000000 4.89726348 1 Sb Sb2 1 1.00324927 -0.00000000 4.01312064 1 Te Te3 1 4.77593952 0.00000000 2.84479496 1 [/CIF]
BaSb2Te
Cm
8
monoclinic
m
6,280.700558
false
[CIF] data_InSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02695973 _cell_length_b 4.02695973 _cell_length_c 16.84600000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSe _chemical_formula_sum 'In4 Se4' _cell_volume 236.58216483 _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 In In0 1 0.00000000 2.32496628 2.81850533 1 In In1 1 2.01347987 1.16248314 11.24150533 1 In In2 1 2.01347987 1.16248314 14.02749467 1 In In3 1 -0.00000000 2.32496628 5.60449467 1 Se Se4 1 0.00000000 2.32496628 15.31618533 1 Se Se5 1 2.01347987 1.16248314 6.89318533 1 Se Se6 1 2.01347987 1.16248314 1.52981467 1 Se Se7 1 -0.00000000 2.32496628 9.95281467 1 [/CIF]
In4Se4
P6_3/mmc
194
hexagonal
6/mmm
5,441.718752
false
[CIF] data_MgMnInHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85600702 _cell_length_b 4.85600702 _cell_length_c 4.85600702 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMnInHg _chemical_formula_sum 'Mg1 Mn1 In1 Hg1' _cell_volume 80.96977242 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.71685775 1.71685775 1.71685775 1 In In1 1 5.15057323 5.15057323 5.15057323 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 3.43371549 3.43371549 3.43371549 1 [/CIF]
HgInMgMn
F-43m
216
cubic
-43m
8,093.557118
false
[CIF] data_Co2AsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77457170 _cell_length_b 3.42789284 _cell_length_c 6.19924014 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2AsAu _chemical_formula_sum 'Co2 As1 Au1' _cell_volume 58.96056670 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.69279915 1 Au Au1 1 1.38728585 1.71394642 4.89856976 1 Co Co2 1 0.00000000 0.00000000 0.29637891 1 Co Co3 1 1.38728585 1.71394642 1.41111239 1 [/CIF]
AsAuCo2
Pmm2
25
orthorhombic
mm2
10,976.873321
false
[CIF] data_YTaNbFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68744167 _cell_length_b 4.68744167 _cell_length_c 4.68744167 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaNbFe _chemical_formula_sum 'Y1 Ta1 Nb1 Fe1' _cell_volume 72.82703535 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Nb Nb1 1 4.97178269 4.97178269 4.97178269 1 Ta Ta2 1 3.31452179 3.31452179 3.31452179 1 Y Y3 1 1.65726090 1.65726090 1.65726090 1 [/CIF]
FeNbTaY
F-43m
216
cubic
-43m
9,544.671635
false
[CIF] data_LaHf2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01118994 _cell_length_b 5.01118994 _cell_length_c 3.27215562 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHf2Ni _chemical_formula_sum 'La1 Hf2 Ni1' _cell_volume 82.17045247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 2.50559497 1.63607781 1 Hf Hf1 1 2.50559497 0.00000000 1.63607781 1 La La2 1 2.50559497 2.50559497 0.00000000 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2LaNi
P4/mmm
123
tetragonal
4/mmm
11,207.190072
false
[CIF] data_Cr2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90229140 _cell_length_b 4.90229140 _cell_length_c 4.90229140 _cell_angle_alpha 145.34466868 _cell_angle_beta 145.34466868 _cell_angle_gamma 49.82118582 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Tc _chemical_formula_sum 'Cr2 Tc1' _cell_volume 37.91424326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.00118930 1 Cr Cr1 1 0.00000000 -0.00000000 2.89123549 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr4Tc2
I4/mmm
139
tetragonal
4/mmm
8,886.395782
false
[CIF] data_KLi2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52100364 _cell_length_b 3.52100364 _cell_length_c 8.94185025 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.96068786 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLi2Cr _chemical_formula_sum 'K1 Li2 Cr1' _cell_volume 110.03922799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33399215 0.00000000 4.94410298 1 K K1 1 0.00000000 0.00000000 2.37606001 1 Li Li2 1 2.33399215 0.00000000 8.43742188 1 Li Li3 1 0.00000000 0.00000000 6.59704075 1 [/CIF]
CrKLi2
Cmm2
35
orthorhombic
mm2
1,584.138824
false
[CIF] data_InCu2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66193206 _cell_length_b 5.66193206 _cell_length_c 5.66193206 _cell_angle_alpha 137.83299123 _cell_angle_beta 137.83299123 _cell_angle_gamma 61.15887668 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCu2Bi _chemical_formula_sum 'In1 Cu2 Bi1' _cell_volume 80.88501091 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03675659 2.43724844 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Cu Cu2 1 2.03675659 -0.00000000 2.43724844 1 In In3 1 0.00000000 0.00000000 4.87449688 1 [/CIF]
BiCu2In
I-4m2
119
tetragonal
-42m
9,256.611522
false
[CIF] data_SrSb2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72332797 _cell_length_b 3.72332797 _cell_length_c 7.42187762 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSb2Ir _chemical_formula_sum 'Sr1 Sb2 Ir1' _cell_volume 102.89075987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.86166399 1.86166399 6.21091783 1 Sb Sb1 1 0.00000000 0.00000000 7.00587151 1 Sb Sb2 1 1.86166399 1.86166399 1.56438975 1 Sr Sr3 1 0.00000000 0.00000000 3.77351496 1 [/CIF]
IrSb2Sr
P4mm
99
tetragonal
4mm
8,446.382887
false
[CIF] data_V2PtCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78566286 _cell_length_b 3.64542584 _cell_length_c 5.88103350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2PtCl _chemical_formula_sum 'V2 Pt1 Cl1' _cell_volume 59.72146805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.39283143 0.00000000 2.94051675 1 V V2 1 0.00000000 1.82271292 4.38239779 1 V V3 1 0.00000000 1.82271292 1.49863571 1 [/CIF]
ClPtV2
Pmmm
47
orthorhombic
mmm
9,243.493039
false
[CIF] data_TcNiTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99990586 _cell_length_b 4.99990586 _cell_length_c 4.99990586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcNiTe3 _chemical_formula_sum 'Tc1 Ni1 Te3' _cell_volume 124.99293963 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 0.00000000 2.49995293 0.00000000 1 Te Te2 1 0.00000000 0.00000000 2.49995293 1 Te Te3 1 2.49995293 0.00000000 0.00000000 1 Tc Tc4 1 2.49995293 2.49995293 2.49995293 1 [/CIF]
NiTcTe3
Pm-3m
221
cubic
m-3m
7,179.242684
false
[CIF] data_CdRuAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99877494 _cell_length_b 4.99877494 _cell_length_c 5.14213575 _cell_angle_alpha 99.58021466 _cell_angle_beta 99.58021466 _cell_angle_gamma 33.92034821 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdRuAu2 _chemical_formula_sum 'Cd1 Ru1 Au2' _cell_volume 70.60904266 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76037734 0.00000000 3.84971878 1 Au Au1 1 6.90764701 0.00000000 1.21398094 1 Cd Cd2 1 4.33401217 0.00000000 2.53184986 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2CdRu
C2/m
12
monoclinic
2/m
14,284.783758
false
[CIF] data_K2CuP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17020400 _cell_length_b 8.17020400 _cell_length_c 5.55085700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CuP2O7 _chemical_formula_sum 'K4 Cu2 P4 O14' _cell_volume 370.53210204 _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 K K0 1 2.73004099 6.81514299 2.72821846 1 K K1 1 1.35506101 2.73004099 2.82263854 1 K K2 1 5.44016301 1.35506101 2.72821846 1 K K3 1 6.81514299 5.44016301 2.82263854 1 Cu Cu4 1 4.08510200 4.08510200 0.00000000 1 Cu Cu5 1 0.00000000 0.00000000 0.00000000 1 P P6 1 2.99274573 1.09235627 5.43314553 1 P P7 1 1.09235627 5.17745827 0.11771147 1 P P8 1 5.17745827 7.07784773 5.43314553 1 P P9 1 7.07784773 2.99274573 0.11771147 1 O O10 1 4.08510200 0.00000000 4.86106310 1 O O11 1 0.00000000 4.08510200 0.68979390 1 O O12 1 4.72059681 5.76284522 4.75812246 1 O O13 1 7.53470919 1.67774322 0.79273454 1 O O14 1 3.44960719 2.40735878 4.75812246 1 O O15 1 0.63549481 6.49246078 0.79273454 1 O O16 1 5.76284522 3.44960719 0.79273454 1 O O17 1 6.49246078 7.53470919 4.75812246 1 O O18 1 2.40735878 4.72059681 0.79273454 1 O O19 1 1.67774322 0.63549481 4.75812246 1 O O20 1 2.98226335 1.10283865 1.38873561 1 O O21 1 1.10283865 5.18794065 4.16212139 1 O O22 1 5.18794065 7.06736535 1.38873561 1 O O23 1 7.06736535 2.98226335 4.16212139 1 [/CIF]
Cu2K4O14P4
P-42_1m
113
tetragonal
-42m
2,829.492002
false
[CIF] data_Ca2TiNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03182648 _cell_length_b 6.03182648 _cell_length_c 3.08902122 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.78167290 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TiNb _chemical_formula_sum 'Ca2 Ti1 Nb1' _cell_volume 96.55488253 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49010519 2.62208299 1.54451061 1 Ca Ca1 1 1.49010519 -2.62208298 1.54451061 1 Nb Nb2 1 2.98021039 -0.00000000 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2NbTi
Cmmm
65
orthorhombic
mmm
3,799.51647
false
[CIF] data_YAlRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.81637598 _cell_length_b 9.81637598 _cell_length_c 9.81637598 _cell_angle_alpha 17.13919760 _cell_angle_beta 17.13919760 _cell_angle_gamma 17.13919760 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAlRe2 _chemical_formula_sum 'Y1 Al1 Re2' _cell_volume 71.67259940 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 -0.00000000 7.57724436 1 Re Re1 1 0.00000000 0.00000000 0.05010681 1 Re Re2 1 -0.00000000 -0.00000000 21.43283610 1 Y Y3 1 -0.00000000 0.00000000 14.45469772 1 [/CIF]
AlRe2Y
R3m
160
trigonal
3m
11,313.159263
false
[CIF] data_NaV2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.65027395 _cell_length_b 2.65027395 _cell_length_c 9.41926521 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaV2Ga _chemical_formula_sum 'Na1 V2 Ga1' _cell_volume 66.16046680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.32513697 1.32513697 4.40896071 1 Na Na1 1 0.00000000 0.00000000 6.94626887 1 V V2 1 1.32513697 1.32513697 0.38691864 1 V V3 1 0.00000000 0.00000000 2.38674959 1 [/CIF]
GaNaV2
P4mm
99
tetragonal
4mm
4,884.093065
false
[CIF] data_GdNb2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78117073 _cell_length_b 4.78117073 _cell_length_c 4.78117073 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdNb2Ga _chemical_formula_sum 'Gd1 Nb2 Ga1' _cell_volume 77.28367361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Gd Gd1 1 3.38079824 3.38079824 3.38079824 1 Nb Nb2 1 5.07119736 5.07119736 5.07119736 1 Nb Nb3 1 1.69039912 1.69039912 1.69039912 1 [/CIF]
GaGdNb2
Fm-3m
225
cubic
m-3m
8,869.232642
false
[CIF] data_SrMg2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86768896 _cell_length_b 6.86768896 _cell_length_c 6.86768896 _cell_angle_alpha 146.04056560 _cell_angle_beta 136.24811437 _cell_angle_gamma 56.51116500 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMg2Te _chemical_formula_sum 'Sr1 Mg2 Te1' _cell_volume 124.18353729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.55888836 2.69693429 1 Mg Mg1 1 2.00559286 -0.00000000 3.35243256 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 6.04936685 1 [/CIF]
Mg2SrTe
Immm
71
orthorhombic
mmm
3,527.84756
false
[CIF] data_SrRe3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61570963 _cell_length_b 4.61570963 _cell_length_c 4.61570963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRe3Ni _chemical_formula_sum 'Sr1 Re3 Ni1' _cell_volume 98.33665693 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 0.00000000 2.30785481 0.00000000 1 Re Re1 1 0.00000000 0.00000000 2.30785481 1 Re Re2 1 2.30785481 0.00000000 0.00000000 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 Sr Sr4 1 2.30785481 2.30785481 2.30785481 1 [/CIF]
NiRe3Sr
Pm-3m
221
cubic
m-3m
11,903.710653
false
[CIF] data_CsEr2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44577722 _cell_length_b 5.44577722 _cell_length_c 5.44577722 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsEr2Sb _chemical_formula_sum 'Cs1 Er2 Sb1' _cell_volume 114.19960837 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.85074600 3.85074600 3.85074600 1 Er Er1 1 1.92537300 1.92537300 1.92537300 1 Er Er2 1 5.77611900 5.77611900 5.77611900 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CsEr2Sb
Fm-3m
225
cubic
m-3m
8,567.123419
false
[CIF] data_NiGeBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64369441 _cell_length_b 3.64369441 _cell_length_c 7.30584387 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGeBr2 _chemical_formula_sum 'Ni1 Ge1 Br2' _cell_volume 96.99610155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82184721 1.82184721 6.72866767 1 Br Br1 1 0.00000000 0.00000000 2.50016439 1 Ge Ge2 1 1.82184721 1.82184721 4.22621991 1 Ni Ni3 1 0.00000000 0.00000000 4.80955771 1 [/CIF]
Br2GeNi
P4mm
99
tetragonal
4mm
4,984.238138
false
[CIF] data_Mg7Ge6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.83718267 _cell_length_b 9.83718267 _cell_length_c 9.83718267 _cell_angle_alpha 34.69003357 _cell_angle_beta 34.69003357 _cell_angle_gamma 34.69003357 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg7Ge6 _chemical_formula_sum 'Mg7 Ge6' _cell_volume 275.17529167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.41762499 1 Ge Ge1 1 0.00000000 0.00000000 15.29017273 1 Ge Ge2 1 0.00000000 0.00000000 9.57873280 1 Ge Ge3 1 -0.00000000 0.00000000 18.12906491 1 Ge Ge4 1 0.00000000 0.00000000 4.63738705 1 Ge Ge5 1 -0.00000000 0.00000000 23.07041066 1 Mg Mg6 1 -1.45173065 -0.83815708 20.78091977 1 Mg Mg7 1 0.00000000 1.67631416 20.78091977 1 Mg Mg8 1 1.45173065 -0.83815708 20.78091977 1 Mg Mg9 1 1.45173065 0.83815708 6.92687794 1 Mg Mg10 1 -1.45173065 0.83815708 6.92687794 1 Mg Mg11 1 -0.00000000 -1.67631416 6.92687794 1 Mg Mg12 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge6Mg7
R-3m
166
trigonal
-3m
3,656.742417
false
[CIF] data_ScCdSbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80740940 _cell_length_b 4.80740940 _cell_length_c 4.80740940 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCdSbW _chemical_formula_sum 'Sc1 Cd1 Sb1 W1' _cell_volume 78.56304838 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 3.39935178 3.39935179 3.39935179 1 Cd Cd2 1 1.69967589 1.69967589 1.69967589 1 Sb Sb3 1 5.09902768 5.09902768 5.09902768 1 [/CIF]
CdSbScW
F-43m
216
cubic
-43m
9,785.448245
false
[CIF] data_Co4As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36159777 _cell_length_b 4.36159777 _cell_length_c 4.36159777 _cell_angle_alpha 99.74674982 _cell_angle_beta 99.74674982 _cell_angle_gamma 131.40771068 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co4As _chemical_formula_sum 'Co4 As1' _cell_volume 56.71979528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 2.24187018 1.09065657 -0.00000000 1 Co Co2 1 1.09065657 3.38004629 0.00000000 1 Co Co3 1 0.56908805 1.72030166 1.79459262 1 Co Co4 1 1.72030166 -0.56908805 1.79459262 1 [/CIF]
AsCo4
I4/m
87
tetragonal
4/m
9,094.774261
false
[CIF] data_Be2SnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24258029 _cell_length_b 3.24258029 _cell_length_c 5.47173935 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2SnMo _chemical_formula_sum 'Be2 Sn1 Mo1' _cell_volume 57.53165644 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62129014 1.62129014 4.43650974 1 Be Be1 1 1.62129014 1.62129014 1.03522961 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 0.00000000 2.73586968 1 [/CIF]
Be2MoSn
P4/mmm
123
tetragonal
4/mmm
6,716.269023
false
[CIF] data_Sr2BePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20200603 _cell_length_b 6.38148266 _cell_length_c 6.38148266 _cell_angle_alpha 41.82596758 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2BePd _chemical_formula_sum 'Sr2 Be1 Pd1' _cell_volume 114.11459999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.45451289 1 Pd Pd1 1 2.10100301 0.00000000 8.46434818 1 Sr Sr2 1 0.00000000 -0.00000000 1.32991230 1 Sr Sr3 1 2.10100301 0.00000000 4.65259423 1 [/CIF]
BePdSr2
Amm2
38
orthorhombic
mm2
4,229.727801
false
[CIF] data_NiPt2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21143883 _cell_length_b 3.21143883 _cell_length_c 6.57337949 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.81265965 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiPt2Pb _chemical_formula_sum 'Ni1 Pt2 Pb1' _cell_volume 67.71182392 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 3.55900507 1 Pb Pb1 1 2.21441404 -0.00000000 1.73305895 1 Pt Pt2 1 0.00000000 0.00000000 6.38763511 1 Pt Pt3 1 2.21441404 -0.00000000 4.75374959 1 [/CIF]
NiPbPt2
Cmm2
35
orthorhombic
mm2
16,089.000734
false
[CIF] data_ZrTaSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19037499 _cell_length_b 3.19037499 _cell_length_c 7.35631131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaSn _chemical_formula_sum 'Zr1 Ta1 Sn1' _cell_volume 64.84465689 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 -0.00000002 1.84196387 0.06245111 1 Ta Ta1 1 1.59518748 0.92098194 2.42926012 1 Zr Zr2 1 0.00000000 0.00000000 4.86460001 1 [/CIF]
SnTaZr
P3m1
156
trigonal
3m
10,009.685646
false
[CIF] data_ZrAlTlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13205365 _cell_length_b 5.13205365 _cell_length_c 5.13205365 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAlTlSn _chemical_formula_sum 'Zr1 Al1 Tl1 Sn1' _cell_volume 95.57813821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 5.44336491 5.44336491 5.44336491 1 Tl Tl2 1 3.62890994 3.62890994 3.62890994 1 Zr Zr3 1 1.81445497 1.81445497 1.81445497 1 [/CIF]
AlSnTlZr
F-43m
216
cubic
-43m
7,666.962082
false
[CIF] data_SmAlFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47517481 _cell_length_b 4.47517481 _cell_length_c 4.47517481 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmAlFe2 _chemical_formula_sum 'Sm1 Al1 Fe2' _cell_volume 63.37456864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 1.58221323 1.58221323 1.58221323 1 Fe Fe2 1 4.74663969 4.74663969 4.74663969 1 Sm Sm3 1 3.16442646 3.16442646 3.16442646 1 [/CIF]
AlFe2Sm
Fm-3m
225
cubic
m-3m
7,573.198076
false
[CIF] data_Sc2CuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01475959 _cell_length_b 4.79821428 _cell_length_c 4.91206619 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CuW _chemical_formula_sum 'Sc2 Cu1 W1' _cell_volume 71.05530935 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.50737980 0.00000000 2.45603309 1 Sc Sc1 1 0.00000000 2.39910714 2.45603309 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.50737980 2.39910714 0.00000000 1 [/CIF]
CuSc2W
Pmmm
47
orthorhombic
mmm
7,882.538532
false
[CIF] data_CaSi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89024575 _cell_length_b 6.89024575 _cell_length_c 6.89024575 _cell_angle_alpha 147.65770831 _cell_angle_beta 147.65770831 _cell_angle_gamma 46.39091486 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSi2Br _chemical_formula_sum 'Ca1 Si2 Br1' _cell_volume 93.28934289 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.33328355 1 Ca Ca1 1 -0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.91898489 0.00000000 3.16664178 1 Si Si3 1 -0.00000000 1.91898489 3.16664177 1 [/CIF]
BrCaSi2
I4/mmm
139
tetragonal
4/mmm
3,135.502182
false
[CIF] data_ReSnBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16443964 _cell_length_b 7.16443964 _cell_length_c 7.16443964 _cell_angle_alpha 152.69851293 _cell_angle_beta 141.28745287 _cell_angle_gamma 48.01786986 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSnBi2 _chemical_formula_sum 'Re1 Sn1 Bi2' _cell_volume 105.10669395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37459044 6.51560120 1 Bi Bi1 1 0.00000000 -0.00000000 4.17863895 1 Re Re2 1 -0.00000000 2.37459044 0.05073481 1 Sn Sn3 1 0.00000000 0.00000000 8.88878551 1 [/CIF]
Bi2ReSn
Imm2
44
orthorhombic
mm2
11,420.460317
false
[CIF] data_V2RuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90970473 _cell_length_b 3.86744041 _cell_length_c 5.01482523 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2RuSe _chemical_formula_sum 'V2 Ru1 Se1' _cell_volume 56.43237821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 2.50741261 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.45485237 1.93372021 1.25543437 1 V V3 1 1.45485237 1.93372021 3.75939086 1 [/CIF]
RuSeV2
Pmmm
47
orthorhombic
mmm
8,295.371642
false
[CIF] data_TaZnRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38194539 _cell_length_b 4.38194539 _cell_length_c 4.38194539 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnRu2 _chemical_formula_sum 'Ta1 Zn1 Ru2' _cell_volume 59.49574194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.64775495 4.64775495 4.64775495 1 Ru Ru1 1 1.54925165 1.54925165 1.54925165 1 Ta Ta2 1 3.09850330 3.09850330 3.09850330 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ru2TaZn
Fm-3m
225
cubic
m-3m
12,516.835837
false
[CIF] data_ZrGaSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79362938 _cell_length_b 5.79362938 _cell_length_c 4.71369975 _cell_angle_alpha 92.11188901 _cell_angle_beta 92.11188901 _cell_angle_gamma 35.38172136 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGaSb2 _chemical_formula_sum 'Zr1 Ga1 Sb2' _cell_volume 91.54457086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11009144 0.00000000 0.67844002 1 Sb Sb1 1 0.30410881 0.00000000 0.54894363 1 Sb Sb2 1 7.97788490 0.00000000 3.07999729 1 Zr Zr3 1 4.89336947 -0.00000000 2.75787732 1 [/CIF]
GaSb2Zr
Cm
8
monoclinic
m
7,336.680355
false
[CIF] data_Rb3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45719505 _cell_length_b 5.45719505 _cell_length_c 5.45719505 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3Pt _chemical_formula_sum 'Rb3 Pt1' _cell_volume 162.52060469 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rb Rb1 1 2.72859752 2.72859752 0.00000000 1 Rb Rb2 1 2.72859752 0.00000000 2.72859752 1 Rb Rb3 1 0.00000000 2.72859752 2.72859752 1 [/CIF]
PtRb3
Pm-3m
221
cubic
m-3m
4,613.129789
false
[CIF] data_BeCrBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49538611 _cell_length_b 3.49075513 _cell_length_c 6.59513157 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.15217761 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCrBi2 _chemical_formula_sum 'Be1 Cr1 Bi2' _cell_volume 79.21081721 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 1.23989864 1.74537757 1.65550463 1 Bi Bi2 1 1.09300840 1.74537757 4.83636743 1 Cr Cr3 1 -0.58123954 0.00000000 3.24593603 1 [/CIF]
BeBi2Cr
P2/m
10
monoclinic
2/m
10,040.887095
false
[CIF] data_Ni2AgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26655573 _cell_length_b 4.26655573 _cell_length_c 3.46530712 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2AgPb _chemical_formula_sum 'Ni2 Ag1 Pb1' _cell_volume 63.08071050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 0.00000000 2.13327786 1.73265356 1 Ni Ni2 1 2.13327786 0.00000000 1.73265356 1 Pb Pb3 1 2.13327786 2.13327786 0.00000000 1 [/CIF]
AgNi2Pb
P4/mmm
123
tetragonal
4/mmm
11,384.358514
false
[CIF] data_YBiSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50667280 _cell_length_b 7.50667280 _cell_length_c 7.50667280 _cell_angle_alpha 149.74637318 _cell_angle_beta 148.39736064 _cell_angle_gamma 44.31528330 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBiSe2 _chemical_formula_sum 'Y1 Bi1 Se2' _cell_volume 111.35325124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04408509 3.37712739 1 Se Se1 1 0.00000000 0.00000000 0.19839994 1 Se Se2 1 1.95891359 0.00000000 4.06239012 1 Y Y3 1 0.00000000 -0.00000000 6.26668757 1 [/CIF]
BiSe2Y
Imm2
44
orthorhombic
mm2
6,797.144013
false
[CIF] data_Ho(GePd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90434120 _cell_length_b 5.90434120 _cell_length_c 5.90434120 _cell_angle_alpha 137.35396429 _cell_angle_beta 137.35396429 _cell_angle_gamma 61.89388705 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho(GePd)2 _chemical_formula_sum 'Ho1 Ge2 Pd2' _cell_volume 93.36626162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 -0.00000000 0.00000000 6.29425210 1 Ge Ge1 1 0.00000000 -0.00000000 3.83339190 1 Ho Ho2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 2.14696900 0.00000000 2.53191100 1 Pd Pd4 1 -0.00000000 2.14696900 2.53191100 1 [/CIF]
Ge2HoPd2
I4/mmm
139
tetragonal
4/mmm
9,302.562565
false
[CIF] data_TcBi3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85428553 _cell_length_b 5.85428553 _cell_length_c 5.85428553 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcBi3Pb _chemical_formula_sum 'Tc1 Bi3 Pb1' _cell_volume 200.64193205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 2.92714277 2.92714277 2.92714277 1 Bi Bi1 1 2.92714277 0.00000000 2.92714277 1 Bi Bi2 1 2.92714277 2.92714277 0.00000000 1 Bi Bi3 1 0.00000000 2.92714277 2.92714277 1 Tc Tc4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi3PbTc
Pm-3m
221
cubic
m-3m
7,722.023222
false
[CIF] data_Hg4PdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73436857 _cell_length_b 5.73436857 _cell_length_c 5.73436857 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg4PdAu _chemical_formula_sum 'Hg4 Pd1 Au1' _cell_volume 133.33427736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02740545 2.02740545 2.02740545 1 Hg Hg1 1 3.03925018 3.03925018 5.07037162 1 Hg Hg2 1 3.03925018 5.07037162 3.03925018 1 Hg Hg3 1 5.07037162 3.03925018 3.03925018 1 Hg Hg4 1 5.07037162 5.07037162 5.07037162 1 Pd Pd5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuHg4Pd
F-43m
216
cubic
-43m
13,770.917816
false
[CIF] data_Ca2BeGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57248168 _cell_length_b 3.57248168 _cell_length_c 7.18636410 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2BeGe _chemical_formula_sum 'Ca2 Be1 Ge1' _cell_volume 91.71687241 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 1.78624084 1.78624084 1.74565214 1 Ca Ca2 1 1.78624084 1.78624084 5.44071196 1 Ge Ge3 1 0.00000000 0.00000000 3.59318205 1 [/CIF]
BeCa2Ge
P4/mmm
123
tetragonal
4/mmm
2,929.662329
false
[CIF] data_Hf2IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17907232 _cell_length_b 4.20760028 _cell_length_c 5.47757285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2IrRu _chemical_formula_sum 'Hf2 Ir1 Ru1' _cell_volume 73.26946920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58953616 2.10380014 5.17378430 1 Hf Hf1 1 0.00000000 0.00000000 1.62979051 1 Ir Ir2 1 1.58953616 2.10380014 2.42988818 1 Ru Ru3 1 0.00000000 0.00000000 4.46046913 1 [/CIF]
Hf2IrRu
Pmm2
25
orthorhombic
mm2
14,737.294661
false
[CIF] data_NaCd3I _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45850648 _cell_length_b 6.45850648 _cell_length_c 6.45850648 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCd3I _chemical_formula_sum 'Na1 Cd3 I1' _cell_volume 269.39919829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy I I0 1 3.22925324 3.22925324 3.22925324 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 3.22925324 0.00000000 3.22925324 1 Cd Cd3 1 3.22925324 3.22925324 0.00000000 1 Cd Cd4 1 0.00000000 3.22925324 3.22925324 1 [/CIF]
Cd3INa
Pm-3m
221
cubic
m-3m
3,002.58433
false
[CIF] data_Sr2LaHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97335644 _cell_length_b 3.97335644 _cell_length_c 10.24822524 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2LaHg _chemical_formula_sum 'Sr2 La1 Hg1' _cell_volume 161.79448538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.98667822 1.98667822 5.26949036 1 La La1 1 0.00000000 0.00000000 7.04749287 1 Sr Sr2 1 1.98667822 1.98667822 10.07536381 1 Sr Sr3 1 0.00000000 0.00000000 3.22821606 1 [/CIF]
HgLaSr2
P4mm
99
tetragonal
4mm
5,283.048366
false
[CIF] data_TaTlSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49395007 _cell_length_b 5.49395007 _cell_length_c 5.49395007 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTlSn3 _chemical_formula_sum 'Ta1 Tl1 Sn3' _cell_volume 165.82657256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tl Tl0 1 2.74697503 2.74697503 2.74697503 1 Sn Sn1 1 2.74697503 0.00000000 2.74697503 1 Sn Sn2 1 2.74697503 2.74697503 0.00000000 1 Sn Sn3 1 0.00000000 2.74697503 2.74697503 1 Ta Ta4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sn3TaTl
Pm-3m
221
cubic
m-3m
7,424.776601
false
[CIF] data_K2SrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79142940 _cell_length_b 5.79142940 _cell_length_c 5.79142940 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SrRu _chemical_formula_sum 'K2 Sr1 Ru1' _cell_volume 137.35431302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04757950 2.04757950 2.04757950 1 K K1 1 6.14273850 6.14273850 6.14273850 1 Ru Ru2 1 4.09515900 4.09515900 4.09515900 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2RuSr
Fm-3m
225
cubic
m-3m
3,226.514085
false
[CIF] data_TaTcAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84640037 _cell_length_b 2.84640037 _cell_length_c 8.43875778 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTcAu2 _chemical_formula_sum 'Ta1 Tc1 Au2' _cell_volume 68.37077390 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42320019 1.42320019 8.34665296 1 Au Au1 1 0.00000000 0.00000000 2.17351169 1 Ta Ta2 1 1.42320019 1.42320019 4.28152097 1 Tc Tc3 1 0.00000000 0.00000000 6.29520883 1 [/CIF]
Au2TaTc
P4mm
99
tetragonal
4mm
16,364.448349
false
[CIF] data_ZrVAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42471945 _cell_length_b 5.42471945 _cell_length_c 5.42471945 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrVAs4 _chemical_formula_sum 'Zr1 V1 As4' _cell_volume 112.87996097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.87367186 2.87367186 4.79803996 1 As As1 1 2.87367186 4.79803996 2.87367186 1 As As2 1 4.79803996 2.87367186 2.87367186 1 As As3 1 4.79803996 4.79803996 4.79803996 1 V V4 1 0.00000000 0.00000000 0.00000000 1 Zr Zr5 1 1.91792796 1.91792796 1.91792796 1 [/CIF]
As4VZr
F-43m
216
cubic
-43m
6,499.934402
false
[CIF] data_HgIr7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56098344 _cell_length_b 5.56098344 _cell_length_c 5.56098344 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgIr7 _chemical_formula_sum 'Hg1 Ir7' _cell_volume 121.60174507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.93220910 3.93220910 3.93220910 1 Ir Ir1 1 1.96610455 1.96610455 3.93220910 1 Ir Ir2 1 1.96610455 3.93220910 1.96610455 1 Ir Ir3 1 0.00000000 1.96610455 1.96610455 1 Ir Ir4 1 3.93220910 1.96610455 1.96610455 1 Ir Ir5 1 1.96610455 0.00000000 1.96610455 1 Ir Ir6 1 1.96610455 1.96610455 0.00000000 1 Ir Ir7 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
HgIr7
Fm-3m
225
cubic
m-3m
21,112.973291
false
[CIF] data_Ca4Mg2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.31694365 _cell_length_b 9.31694365 _cell_length_c 9.31694365 _cell_angle_alpha 146.21373502 _cell_angle_beta 146.21373502 _cell_angle_gamma 48.52940376 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Mg2Cu _chemical_formula_sum 'Ca4 Mg2 Cu1' _cell_volume 249.03797067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.70738743 0.00000000 -0.00000000 1 Ca Ca1 1 0.00000000 2.70738743 -0.00000000 1 Ca Ca2 1 0.00000000 -0.00000000 2.95260427 1 Ca Ca3 1 0.00000000 0.00000000 14.03510253 1 Cu Cu4 1 0.00000000 0.00000000 0.00000000 1 Mg Mg5 1 0.00000000 -0.00000000 6.35206915 1 Mg Mg6 1 0.00000000 0.00000000 10.63563765 1 [/CIF]
Ca4CuMg2
I4/mmm
139
tetragonal
4/mmm
1,816.766163
false
[CIF] data_SbIrCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65520411 _cell_length_b 3.84054314 _cell_length_c 5.82936465 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.30996745 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbIrCl2 _chemical_formula_sum 'Sb1 Ir1 Cl2' _cell_volume 99.50012777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.88165575 1.92027157 5.30196085 1 Cl Cl1 1 0.50087229 0.00000000 3.55688741 1 Ir Ir2 1 2.25777045 1.92027157 0.30852048 1 Sb Sb3 1 2.52876221 0.00000000 1.96332565 1 [/CIF]
Cl2IrSb
Pm
6
monoclinic
m
6,423.240572
false
[CIF] data_BaY2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.01672623 _cell_length_b 10.01672623 _cell_length_c 10.01672623 _cell_angle_alpha 24.11920566 _cell_angle_beta 24.11920566 _cell_angle_gamma 24.11920566 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Pd _chemical_formula_sum 'Ba1 Y2 Pd1' _cell_volume 147.48398722 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.58129122 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 -0.00000000 0.00000000 20.90583296 1 Y Y3 1 -0.00000000 0.00000000 8.25674947 1 [/CIF]
BaPdY2
R-3m
166
trigonal
-3m
4,746.377579
false
[CIF] data_ThAl2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73203070 _cell_length_b 4.73203070 _cell_length_c 4.73203070 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThAl2Os _chemical_formula_sum 'Th1 Al2 Os1' _cell_volume 74.92515741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67302550 1.67302550 1.67302550 1 Al Al1 1 5.01907650 5.01907650 5.01907650 1 Os Os2 1 0.00000000 0.00000000 0.00000000 1 Th Th3 1 3.34605100 3.34605100 3.34605100 1 [/CIF]
Al2OsTh
Fm-3m
225
cubic
m-3m
10,554.537826
false
[CIF] data_LiScSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75637928 _cell_length_b 4.75637928 _cell_length_c 4.75637928 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScSn _chemical_formula_sum 'Li1 Sc1 Sn1' _cell_volume 76.08769657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 3.36326804 3.36326804 3.36326804 1 Sn Sn2 1 5.04490206 5.04490206 5.04490206 1 [/CIF]
LiScSn
F-43m
216
cubic
-43m
3,723.327886
false
[CIF] data_HfCuNiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38073832 _cell_length_b 4.38073832 _cell_length_c 4.38073832 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCuNiOs _chemical_formula_sum 'Hf1 Cu1 Ni1 Os1' _cell_volume 59.44658845 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 4.64647465 4.64647466 4.64647466 1 Hf Hf1 1 3.09764977 3.09764977 3.09764977 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 1.54882488 1.54882488 1.54882488 1 [/CIF]
CuHfNiOs
F-43m
216
cubic
-43m
13,714.113544
false
[CIF] data_Ta2NbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72594420 _cell_length_b 4.72594420 _cell_length_c 4.72594420 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2NbBr _chemical_formula_sum 'Ta2 Nb1 Br1' _cell_volume 74.63641490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 3.34174719 3.34174719 3.34174719 1 Ta Ta2 1 1.67087359 1.67087360 1.67087360 1 Ta Ta3 1 5.01262079 5.01262079 5.01262079 1 [/CIF]
BrNbTa2
Fm-3m
225
cubic
m-3m
11,896.343571
false
[CIF] data_BaCuBiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17554344 _cell_length_b 5.17554344 _cell_length_c 5.17554344 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCuBiRu _chemical_formula_sum 'Ba1 Cu1 Bi1 Ru1' _cell_volume 98.02861698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.48949279 5.48949279 5.48949279 1 Bi Bi1 1 3.65966186 3.65966186 3.65966186 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 1.82983093 1.82983093 1.82983093 1 [/CIF]
BaBiCuRu
F-43m
216
cubic
-43m
8,654.699942
false
[CIF] data_In2GaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47094337 _cell_length_b 3.47094337 _cell_length_c 8.81490634 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2GaPb _chemical_formula_sum 'In2 Ga1 Pb1' _cell_volume 106.19712468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.73547169 1.73547169 1.95081767 1 In In2 1 1.73547169 1.73547169 6.86408867 1 Pb Pb3 1 0.00000000 0.00000000 4.40745317 1 [/CIF]
GaIn2Pb
P4/mmm
123
tetragonal
4/mmm
7,920.751259
false
[CIF] data_NdTa2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80380487 _cell_length_b 4.80380487 _cell_length_c 4.80380487 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTa2Zn _chemical_formula_sum 'Nd1 Ta2 Zn1' _cell_volume 78.38646452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd Nd0 1 3.39680300 3.39680300 3.39680300 1 Ta Ta1 1 1.69840150 1.69840150 1.69840150 1 Ta Ta2 1 5.09520450 5.09520450 5.09520450 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NdTa2Zn
Fm-3m
225
cubic
m-3m
12,107.033702
false
[CIF] data_HfCr4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90513858 _cell_length_b 4.90513858 _cell_length_c 4.90513858 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCr4W _chemical_formula_sum 'Hf1 Cr4 W1' _cell_volume 83.45240286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.60451185 2.60451185 4.33240165 1 Cr Cr1 1 2.60451185 4.33240165 2.60451185 1 Cr Cr2 1 4.33240165 2.60451185 2.60451185 1 Cr Cr3 1 4.33240165 4.33240165 4.33240165 1 Hf Hf4 1 0.00000000 0.00000000 0.00000000 1 W W5 1 1.73422837 1.73422837 1.73422837 1 [/CIF]
Cr4HfW
F-43m
216
cubic
-43m
11,348.137488
false
[CIF] data_VRe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34368642 _cell_length_b 4.34368642 _cell_length_c 3.07779401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRe2Rh _chemical_formula_sum 'V1 Re2 Rh1' _cell_volume 58.07062232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 0.00000000 2.17184321 1.53889700 1 Re Re1 1 2.17184321 0.00000000 1.53889700 1 Rh Rh2 1 2.17184321 2.17184321 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Re2RhV
P4/mmm
123
tetragonal
4/mmm
15,048.520488
false
[CIF] data_PRuW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89986046 _cell_length_b 2.89986046 _cell_length_c 6.89035733 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PRuW2 _chemical_formula_sum 'P1 Ru1 W2' _cell_volume 57.94232885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45119801 1 Ru Ru1 1 1.44993023 1.44993023 4.96166687 1 W W2 1 0.00000000 0.00000000 6.81533588 1 W W3 1 1.44993023 1.44993023 1.99769257 1 [/CIF]
PRuW2
P4mm
99
tetragonal
4mm
14,321.323486
false
[CIF] data_ErGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21224818 _cell_length_b 6.21224818 _cell_length_c 4.60261700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErGa3 _chemical_formula_sum 'Er2 Ga6' _cell_volume 153.82717488 _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 3.10612409 1.79332158 3.45196275 1 Er Er1 1 0.00000000 3.58664316 1.15065425 1 Ga Ga2 1 1.40422279 0.81072841 1.15065425 1 Ga Ga3 1 4.80802539 0.81072841 1.15065425 1 Ga Ga4 1 3.10612409 3.75850793 1.15065425 1 Ga Ga5 1 1.70190130 4.56923633 3.45196275 1 Ga Ga6 1 -1.70190130 4.56923633 3.45196275 1 Ga Ga7 1 -0.00000000 1.62145681 3.45196275 1 [/CIF]
Er2Ga6
P6_3/mmc
194
hexagonal
6/mmm
8,126.956607
false
[CIF] data_BaGe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01967032 _cell_length_b 5.01967032 _cell_length_c 5.01967032 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGe2Ir _chemical_formula_sum 'Ba1 Ge2 Ir1' _cell_volume 89.43563301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.54944292 3.54944292 3.54944292 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Ge Ge2 1 1.77472146 1.77472146 1.77472146 1 Ir Ir3 1 5.32416438 5.32416438 5.32416438 1 [/CIF]
BaGe2Ir
F-43m
216
cubic
-43m
8,815.991739
false
[CIF] data_BiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.86699131 _cell_length_b 11.86699131 _cell_length_c 11.86699131 _cell_angle_alpha 17.16587414 _cell_angle_beta 17.16587414 _cell_angle_gamma 17.16587414 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiPb _chemical_formula_sum 'Bi2 Pb2' _cell_volume 127.01112516 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 -0.00000000 21.89570344 1 Bi Bi1 1 0.00000000 0.00000000 13.17266325 1 Pb Pb2 1 0.00000000 0.00000000 4.38601360 1 Pb Pb3 1 0.00000000 0.00000000 30.68235309 1 [/CIF]
Bi2Pb2
R-3m
166
trigonal
-3m
10,882.256355
false
[CIF] data_VPd2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74848325 _cell_length_b 3.75357774 _cell_length_c 5.61809453 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPd2Rh _chemical_formula_sum 'V1 Pd2 Rh1' _cell_volume 57.95988991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.37424163 1.87678887 5.58120882 1 Pd Pd1 1 0.00000000 0.00000000 1.43388284 1 Rh Rh2 1 1.37424163 1.87678887 2.91076663 1 V V3 1 0.00000000 0.00000000 4.11937798 1 [/CIF]
Pd2RhV
Pmm2
25
orthorhombic
mm2
10,505.508027
false
[CIF] data_Te2PPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71208160 _cell_length_b 3.71208160 _cell_length_c 8.91591226 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2PPb _chemical_formula_sum 'Te2 P1 Pb1' _cell_volume 122.85725704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.96822674 1 Pb Pb1 1 1.85604080 1.85604080 6.74234204 1 Te Te2 1 0.00000000 0.00000000 8.51544871 1 Te Te3 1 1.85604080 1.85604080 3.06376316 1 [/CIF]
PPbTe2
P4mm
99
tetragonal
4mm
6,668.441295
false
[CIF] data_TlSO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23743697 _cell_length_b 4.23743697 _cell_length_c 4.23743697 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSO3 _chemical_formula_sum 'Tl1 S1 O3' _cell_volume 76.08687616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 2.11871848 2.11871848 1 O O1 1 2.11871848 0.00000000 2.11871848 1 O O2 1 2.11871848 2.11871848 0.00000000 1 S S3 1 0.00000000 0.00000000 0.00000000 1 Tl Tl4 1 2.11871848 2.11871848 2.11871848 1 [/CIF]
O3STl
Pm-3m
221
cubic
m-3m
6,207.83175
false
[CIF] data_NaAlAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67293335 _cell_length_b 3.67293335 _cell_length_c 6.68850928 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlAs2 _chemical_formula_sum 'Na1 Al1 As2' _cell_volume 90.23092907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83646668 1.83646668 5.37680653 1 As As1 1 0.00000000 0.00000000 0.16209027 1 As As2 1 1.83646668 1.83646668 1.18737320 1 Na Na3 1 0.00000000 0.00000000 3.30649393 1 [/CIF]
AlAs2Na
P4mm
99
tetragonal
4mm
3,677.229081
false
[CIF] data_TiAlRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30853379 _cell_length_b 4.30853379 _cell_length_c 3.18238019 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlRe2 _chemical_formula_sum 'Ti1 Al1 Re2' _cell_volume 59.07599824 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 0.00000000 2.15426689 1.59119009 1 Re Re2 1 2.15426689 0.00000000 1.59119009 1 Ti Ti3 1 2.15426689 2.15426689 0.00000000 1 [/CIF]
AlRe2Ti
P4/mmm
123
tetragonal
4/mmm
12,571.889438
false
[CIF] data_VBi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15986303 _cell_length_b 5.15986303 _cell_length_c 5.15986303 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VBi2As _chemical_formula_sum 'V1 Bi2 As1' _cell_volume 97.14031840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.64857414 3.64857414 3.64857414 1 Bi Bi1 1 5.47286121 5.47286121 5.47286121 1 Bi Bi2 1 1.82428707 1.82428707 1.82428707 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsBi2V
Fm-3m
225
cubic
m-3m
9,296.251507
false
[CIF] data_Fe3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14612650 _cell_length_b 5.14612650 _cell_length_c 4.25322600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3S _chemical_formula_sum 'Fe6 S2' _cell_volume 97.54612166 _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 0.00000000 1.43672556 3.18991950 1 Fe Fe1 1 1.32882242 3.73831350 3.18991950 1 Fe Fe2 1 -1.32882242 3.73831350 3.18991950 1 Fe Fe3 1 3.90188566 0.71836278 1.06330650 1 Fe Fe4 1 1.24424083 0.71836278 1.06330650 1 Fe Fe5 1 2.57306325 3.01995072 1.06330650 1 S S6 1 2.57306325 1.48555876 3.18991950 1 S S7 1 0.00000000 2.97111752 1.06330650 1 [/CIF]
Fe6S2
P6_3/mmc
194
hexagonal
6/mmm
6,795.627968
false
[CIF] data_ZnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51647411 _cell_length_b 3.51647411 _cell_length_c 7.86195842 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnPb _chemical_formula_sum 'Zn2 Pb2' _cell_volume 97.21775573 _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 1.75823705 0.00000000 6.43205428 1 Pb Pb1 1 0.00000000 1.75823705 1.42990414 1 Zn Zn2 1 1.75823705 0.00000000 3.32250380 1 Zn Zn3 1 0.00000000 1.75823705 4.53945462 1 [/CIF]
Pb2Zn2
P4/nmm
129
tetragonal
4/mmm
9,311.668129
false
[CIF] data_Na2PtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74662680 _cell_length_b 4.74662680 _cell_length_c 4.74662680 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2PtAu _chemical_formula_sum 'Na2 Pt1 Au1' _cell_volume 75.62062525 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.35637200 3.35637200 3.35637200 1 Na Na1 1 1.67818600 1.67818600 1.67818600 1 Na Na2 1 5.03455800 5.03455800 5.03455800 1 Pt Pt3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuNa2Pt
Fm-3m
225
cubic
m-3m
9,618.620629
false
[CIF] data_TaTlCu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67568363 _cell_length_b 4.67568363 _cell_length_c 4.67568363 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTlCu3 _chemical_formula_sum 'Ta1 Tl1 Cu3' _cell_volume 102.21987691 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tl Tl0 1 2.33784181 2.33784181 2.33784181 1 Cu Cu1 1 2.33784181 0.00000000 2.33784181 1 Cu Cu2 1 2.33784181 2.33784181 0.00000000 1 Cu Cu3 1 0.00000000 2.33784181 2.33784181 1 Ta Ta4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu3TaTl
Pm-3m
221
cubic
m-3m
9,356.490669
false
[CIF] data_BaGeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18976897 _cell_length_b 5.18976897 _cell_length_c 5.18976897 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGeAu2 _chemical_formula_sum 'Ba1 Ge1 Au2' _cell_volume 98.83916704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.50458124 5.50458124 5.50458125 1 Au Au1 1 3.66972083 3.66972083 3.66972083 1 Ba Ba2 1 1.83486041 1.83486041 1.83486042 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BaGe
F-43m
216
cubic
-43m
10,145.773194
false
[CIF] data_TlBiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28905610 _cell_length_b 5.61359739 _cell_length_c 6.56542276 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.74196932 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBiSb2 _chemical_formula_sum 'Tl1 Bi1 Sb2' _cell_volume 121.21010365 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01293613 2.80679870 4.97466122 1 Sb Sb1 1 3.17282106 0.00000000 0.07010575 1 Sb Sb2 1 3.25977468 2.80679870 1.58893030 1 Tl Tl3 1 1.64958050 0.00000000 3.21361106 1 [/CIF]
BiSb2Tl
Pm
6
monoclinic
m
8,999.093419
false
[CIF] data_Ag2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52636196 _cell_length_b 5.52636196 _cell_length_c 18.28422940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2P _chemical_formula_sum 'Ag16 P8' _cell_volume 483.59961481 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 -0.00000000 3.19064657 11.40826026 1 Ag Ag1 1 2.76318098 1.59532328 6.87596914 1 Ag Ag2 1 2.76318098 1.59532328 2.26614556 1 Ag Ag3 1 -0.00000000 3.19064657 16.01808384 1 Ag Ag4 1 1.38159049 2.39298492 9.14211470 1 Ag Ag5 1 2.76318098 0.00000000 9.14211470 1 Ag Ag6 1 -1.38159049 2.39298492 9.14211470 1 Ag Ag7 1 1.38159049 2.39298492 0.00000000 1 Ag Ag8 1 2.76318098 0.00000000 0.00000000 1 Ag Ag9 1 -1.38159049 2.39298492 0.00000000 1 Ag Ag10 1 -1.39992187 3.99889184 13.71317205 1 Ag Ag11 1 0.00000000 1.57415602 13.71317205 1 Ag Ag12 1 1.39992187 3.99889184 13.71317205 1 Ag Ag13 1 4.16310286 0.78707801 4.57105735 1 Ag Ag14 1 2.76318098 3.21181383 4.57105735 1 Ag Ag15 1 1.36325911 0.78707801 4.57105735 1 P P16 1 0.00000000 0.00000000 11.50933804 1 P P17 1 0.00000000 0.00000000 6.77489136 1 P P18 1 0.00000000 0.00000000 2.36722334 1 P P19 1 0.00000000 0.00000000 15.91700606 1 P P20 1 -0.00000000 3.19064657 5.66726163 1 P P21 1 2.76318098 1.59532328 12.61696777 1 P P22 1 2.76318098 1.59532328 14.80937633 1 P P23 1 -0.00000000 3.19064657 3.47485307 1 [/CIF]
Ag16P8
P6_3/mmc
194
hexagonal
6/mmm
6,777.041992
false
[CIF] data_ScAlPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61216076 _cell_length_b 4.61216076 _cell_length_c 4.61216076 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAlPdAu _chemical_formula_sum 'Sc1 Al1 Pd1 Au1' _cell_volume 69.37425175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 3.26129015 3.26129015 3.26129015 1 Pd Pd2 1 1.63064508 1.63064508 1.63064508 1 Sc Sc3 1 4.89193523 4.89193523 4.89193523 1 [/CIF]
AlAuPdSc
F-43m
216
cubic
-43m
8,983.739377
false
[CIF] data_Mn2AlTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01032788 _cell_length_b 4.01032788 _cell_length_c 3.96698449 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2AlTl _chemical_formula_sum 'Mn2 Al1 Tl1' _cell_volume 63.79993930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 0.00000000 2.00516394 1.98349225 1 Mn Mn2 1 2.00516394 0.00000000 1.98349225 1 Tl Tl3 1 2.00516394 2.00516394 0.00000000 1 [/CIF]
AlMn2Tl
P4/mmm
123
tetragonal
4/mmm
8,882.589191
false
[CIF] data_BaBSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46639568 _cell_length_b 5.46639568 _cell_length_c 5.46639568 _cell_angle_alpha 126.05277309 _cell_angle_beta 126.05277309 _cell_angle_gamma 79.80142172 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBSe2 _chemical_formula_sum 'Ba1 B1 Se2' _cell_volume 103.12300500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 0.00000000 0.00000000 4.19358477 1 Se Se2 1 0.00000000 2.47944838 2.09679239 1 Se Se3 1 2.47944838 0.00000000 2.09679239 1 [/CIF]
BBaSe2
I4/mmm
139
tetragonal
4/mmm
4,928.301553
false
[CIF] data_Cr3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39378096 _cell_length_b 3.39378096 _cell_length_c 3.39378096 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3C _chemical_formula_sum 'Cr3 C1' _cell_volume 39.08871795 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 0.00000000 1.69689048 1.69689048 1 Cr Cr2 1 1.69689048 0.00000000 1.69689048 1 Cr Cr3 1 1.69689048 1.69689048 0.00000000 1 [/CIF]
CCr3
Pm-3m
221
cubic
m-3m
7,136.813824
false
[CIF] data_BeAuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91315482 _cell_length_b 4.91315482 _cell_length_c 4.91315482 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAuBr2 _chemical_formula_sum 'Be1 Au1 Br2' _cell_volume 83.86221920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73706254 1.73706255 1.73706255 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Br Br2 1 5.21118764 5.21118763 5.21118764 1 Br Br3 1 3.47412509 3.47412509 3.47412509 1 [/CIF]
AuBeBr2
F-43m
216
cubic
-43m
7,242.870459
false
[CIF] data_TaS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04439764 _cell_length_b 7.04439764 _cell_length_c 7.04439764 _cell_angle_alpha 27.71476618 _cell_angle_beta 27.71476618 _cell_angle_gamma 27.71476618 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaS2 _chemical_formula_sum 'Ta1 S2' _cell_volume 66.75395682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 0.00000000 0.00000000 0.00000000 1 S S1 1 -0.00000000 -0.00000000 15.07784591 1 S S2 1 0.00000000 0.00000000 5.23109603 1 [/CIF]
S2Ta
R-3m
166
trigonal
-3m
6,096.438133
false
[CIF] data_Co2GeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38302877 _cell_length_b 4.38302877 _cell_length_c 3.03839955 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.55770292 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2GeBr _chemical_formula_sum 'Co2 Ge1 Br1' _cell_volume 58.34894448 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.05685433 -0.00000000 0.00000000 1 Co Co1 1 1.52842717 -1.57055586 1.51919978 1 Co Co2 1 1.52842717 1.57055586 1.51919978 1 Ge Ge3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
BrCo2Ge
Cmmm
65
orthorhombic
mmm
7,695.54652
false
[CIF] data_GdGa2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.16685169 _cell_length_b 9.16685169 _cell_length_c 3.95168502 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 154.04727950 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdGa2Co _chemical_formula_sum 'Gd2 Ga4 Co2' _cell_volume 145.32125838 _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 2.05840755 1.33846521 0.00000000 1 Co Co1 1 2.05840755 -1.33846521 0.00000000 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 2.05840755 0.00000000 1.97584251 1 Ga Ga4 1 2.05840755 3.72836358 0.00000000 1 Ga Ga5 1 2.05840755 -3.72836358 0.00000000 1 Gd Gd6 1 2.05840755 -6.39524760 1.97584251 1 Gd Gd7 1 2.05840755 6.39524760 1.97584251 1 [/CIF]
Co2Ga4Gd2
Cmmm
65
orthorhombic
mmm
8,127.319817
false
[CIF] data_HfZr2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83959969 _cell_length_b 4.83959969 _cell_length_c 4.83959969 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr2Pd _chemical_formula_sum 'Hf1 Zr2 Pd1' _cell_volume 80.15180800 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.13317064 5.13317064 5.13317064 1 Pd Pd1 1 3.42211376 3.42211376 3.42211376 1 Zr Zr2 1 1.71105688 1.71105688 1.71105688 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfPdZr2
F-43m
216
cubic
-43m
9,682.454289
false
[CIF] data_KCaScIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13985293 _cell_length_b 5.13985293 _cell_length_c 5.13985293 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaScIr _chemical_formula_sum 'K1 Ca1 Sc1 Ir1' _cell_volume 96.01455624 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.45163729 5.45163729 5.45163729 1 Ir Ir1 1 1.81721243 1.81721243 1.81721243 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 3.63442486 3.63442486 3.63442486 1 [/CIF]
CaIrKSc
F-43m
216
cubic
-43m
5,471.151936
false
[CIF] data_AlCd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00118442 _cell_length_b 5.00118442 _cell_length_c 5.00118442 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCd3 _chemical_formula_sum 'Al1 Cd3' _cell_volume 88.45117608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 1.76818571 1.76818571 1.76818571 1 Cd Cd2 1 3.53637142 3.53637142 3.53637142 1 Cd Cd3 1 5.30455713 5.30455713 5.30455713 1 [/CIF]
AlCd3
Fm-3m
225
cubic
m-3m
6,837.585397
false
[CIF] data_SrInCuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33120387 _cell_length_b 5.33120387 _cell_length_c 5.33120387 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrInCuPb _chemical_formula_sum 'Sr1 In1 Cu1 Pb1' _cell_volume 107.14227771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 3.76973041 3.76973041 3.76973041 1 Pb Pb2 1 1.88486520 1.88486520 1.88486521 1 Sr Sr3 1 5.65459562 5.65459562 5.65459562 1 [/CIF]
CuInPbSr
F-43m
216
cubic
-43m
7,333.617826
false
[CIF] data_Li2VTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40337985 _cell_length_b 5.40337985 _cell_length_c 2.55056296 _cell_angle_alpha 98.63288823 _cell_angle_beta 98.63288823 _cell_angle_gamma 126.57668227 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2VTc _chemical_formula_sum 'Li2 V1 Tc1' _cell_volume 56.36910454 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.78855392 2.41336542 1.20207653 1 Li Li1 1 0.78855392 -2.41336541 1.20207653 1 Tc Tc2 1 2.42882344 -0.00000000 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2TcV
C2/m
12
monoclinic
2/m
4,823.201742
false
[CIF] data_GaPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54857100 _cell_length_b 5.54857100 _cell_length_c 7.96398300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaPt3 _chemical_formula_sum 'Ga4 Pt12' _cell_volume 245.18427872 _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 Ga Ga0 1 0.00000000 2.77428550 6.00645987 1 Ga Ga1 1 2.77428550 0.00000000 1.95752313 1 Ga Ga2 1 0.00000000 2.77428550 1.95752313 1 Ga Ga3 1 2.77428550 0.00000000 6.00645987 1 Pt Pt4 1 1.25364968 1.52063582 0.00000000 1 Pt Pt5 1 4.37619679 1.60191129 3.98199150 1 Pt Pt6 1 4.02793518 1.25364968 0.00000000 1 Pt Pt7 1 4.29492132 4.02793518 0.00000000 1 Pt Pt8 1 2.77428550 2.77428550 5.96217216 1 Pt Pt9 1 1.60191129 1.17237421 3.98199150 1 Pt Pt10 1 3.94665971 4.37619679 3.98199150 1 Pt Pt11 1 1.17237421 3.94665971 3.98199150 1 Pt Pt12 1 2.77428550 2.77428550 2.00181084 1 Pt Pt13 1 0.00000000 0.00000000 5.96217216 1 Pt Pt14 1 0.00000000 0.00000000 2.00181084 1 Pt Pt15 1 1.52063582 4.29492132 0.00000000 1 [/CIF]
Ga4Pt12
P4/mbm
127
tetragonal
4/mmm
17,743.577701
false
[CIF] data_CrAu2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16461791 _cell_length_b 6.16461791 _cell_length_c 6.16461791 _cell_angle_alpha 149.58369840 _cell_angle_beta 137.83537939 _cell_angle_gamma 52.87263209 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAu2Se _chemical_formula_sum 'Cr1 Au2 Se1' _cell_volume 79.17773965 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.79516389 1 Au Au1 1 1.61714238 0.00000000 3.49506655 1 Cr Cr2 1 0.00000000 0.00000000 5.74669185 1 Se Se3 1 -0.00000000 2.21746699 2.04300695 1 [/CIF]
Au2CrSe
Imm2
44
orthorhombic
mm2
11,008.132957
false
[CIF] data_MnTlW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52034716 _cell_length_b 4.52034716 _cell_length_c 4.52034716 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlW2 _chemical_formula_sum 'Mn1 Tl1 W2' _cell_volume 65.31311107 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 3.19636813 3.19636813 3.19636813 1 W W2 1 1.59818406 1.59818406 1.59818407 1 W W3 1 4.79455219 4.79455219 4.79455220 1 [/CIF]
MnTlW2
Fm-3m
225
cubic
m-3m
15,941.06009
false