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_YNiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50622802 _cell_length_b 4.50622802 _cell_length_c 4.50622802 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNiPt _chemical_formula_sum 'Y1 Ni1 Pt1' _cell_volume 64.70301126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 3.18638439 3.18638439 3.18638439 1 Y Y2 1 1.59319220 1.59319220 1.59319220 1 [/CIF]
NiPtY
F-43m
216
cubic
-43m
8,794.628148
false
[CIF] data_LaTiCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82015040 _cell_length_b 4.82015040 _cell_length_c 4.82015040 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTiCu2 _chemical_formula_sum 'La1 Ti1 Cu2' _cell_volume 79.18934859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.11254155 5.11254155 5.11254155 1 Cu Cu1 1 1.70418052 1.70418052 1.70418052 1 La La2 1 3.40836103 3.40836103 3.40836103 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2LaTi
Fm-3m
225
cubic
m-3m
6,581.497648
false
[CIF] data_KSrYCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87716909 _cell_length_b 5.87716909 _cell_length_c 5.87716909 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrYCd _chemical_formula_sum 'K1 Sr1 Y1 Cd1' _cell_volume 143.54549273 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.15578612 4.15578612 4.15578612 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 6.23367918 6.23367918 6.23367918 1 Y Y3 1 2.07789306 2.07789306 2.07789306 1 [/CIF]
CdKSrY
F-43m
216
cubic
-43m
3,794.7216
false
[CIF] data_IrRu2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74818723 _cell_length_b 2.74818723 _cell_length_c 7.75358780 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrRu2W _chemical_formula_sum 'Ir1 Ru2 W1' _cell_volume 58.55922812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 3.87679390 1 Ru Ru1 1 1.37409362 1.37409362 5.78804756 1 Ru Ru2 1 1.37409362 1.37409362 1.96554024 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrRu2W
P4/mmm
123
tetragonal
4/mmm
16,395.685829
false
[CIF] data_LiTiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93839756 _cell_length_b 3.93839756 _cell_length_c 3.93839756 _cell_angle_alpha 127.04971223 _cell_angle_beta 127.04971223 _cell_angle_gamma 78.16959636 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiB2 _chemical_formula_sum 'Li1 Ti1 B2' _cell_volume 37.69629427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75577517 0.00000000 1.52851910 1 B B1 1 -0.00000000 1.75577517 1.52851910 1 Li Li2 1 -0.00000000 0.00000000 -0.00000000 1 Ti Ti3 1 -0.00000000 0.00000000 3.05703819 1 [/CIF]
B2LiTi
I4/mmm
139
tetragonal
4/mmm
3,366.776585
false
[CIF] data_Cr2GaFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.52794265 _cell_length_b 2.52794265 _cell_length_c 8.05282046 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.45417858 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2GaFe _chemical_formula_sum 'Cr2 Ga1 Fe1' _cell_volume 48.52346870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45981532 0.00000000 6.14868194 1 Cr Cr1 1 1.45981532 0.00000000 1.90413852 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 0.00000000 0.00000000 4.02641023 1 [/CIF]
Cr2FeGa
Cmmm
65
orthorhombic
mmm
7,855.862131
false
[CIF] data_ScReSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35458914 _cell_length_b 4.35458914 _cell_length_c 4.35458914 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScReSe _chemical_formula_sum 'Sc1 Re1 Se1' _cell_volume 58.38839771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53957976 1.53957976 1.53957976 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 3.07915951 3.07915951 3.07915951 1 [/CIF]
ReScSe
F-43m
216
cubic
-43m
8,819.7524
false
[CIF] data_MnNbAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30220486 _cell_length_b 4.30220486 _cell_length_c 2.76331512 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbAl _chemical_formula_sum 'Mn1 Nb1 Al1' _cell_volume 44.29382831 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.12994329 1 Mn Mn1 1 -0.00000000 2.48387913 0.94235810 1 Nb Nb2 1 2.15110243 1.24193957 1.69101373 1 [/CIF]
AlMnNb
P3m1
156
trigonal
3m
6,554.081086
false
[CIF] data_CaHgCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11071560 _cell_length_b 5.11071560 _cell_length_c 5.11071560 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHgCl _chemical_formula_sum 'Ca1 Hg1 Cl1' _cell_volume 94.39090399 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.42073249 5.42073249 5.42073249 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 3.61382166 3.61382166 3.61382166 1 [/CIF]
CaClHg
F-43m
216
cubic
-43m
4,857.562416
false
[CIF] data_YSc2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42622307 _cell_length_b 5.42622307 _cell_length_c 5.42622307 _cell_angle_alpha 131.86205499 _cell_angle_beta 131.86205499 _cell_angle_gamma 70.44698348 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSc2Cr _chemical_formula_sum 'Y1 Sc2 Cr1' _cell_volume 86.83555804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 2.21300950 -0.00000000 2.21636384 1 Sc Sc2 1 -0.00000000 2.21300950 2.21636384 1 Y Y3 1 0.00000000 -0.00000000 4.43272768 1 [/CIF]
CrSc2Y
I4/mmm
139
tetragonal
4/mmm
4,413.80579
false
[CIF] data_Sc3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18268650 _cell_length_b 6.18268650 _cell_length_c 9.65982939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Rh _chemical_formula_sum 'Sc12 Rh4' _cell_volume 319.78238598 _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 Rh Rh0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 0.00000000 0.00000000 4.82991469 1 Rh Rh2 1 -0.00000000 3.56957571 2.41495735 1 Rh Rh3 1 3.09134325 1.78478786 7.24487204 1 Sc Sc4 1 -1.54567162 2.67718178 0.00000000 1 Sc Sc5 1 -1.54567162 2.67718178 4.82991469 1 Sc Sc6 1 -0.00000000 1.70500868 7.24487204 1 Sc Sc7 1 -1.61476242 4.50185923 7.24487204 1 Sc Sc8 1 1.47658083 0.85250434 2.41495735 1 Sc Sc9 1 3.09134325 0.00000000 0.00000000 1 Sc Sc10 1 3.09134325 0.00000000 4.82991469 1 Sc Sc11 1 1.54567162 2.67718178 0.00000000 1 Sc Sc12 1 1.54567162 2.67718178 4.82991469 1 Sc Sc13 1 1.61476242 4.50185923 7.24487204 1 Sc Sc14 1 4.70610567 0.85250434 2.41495735 1 Sc Sc15 1 3.09134325 3.64935489 2.41495735 1 [/CIF]
Rh4Sc12
P6_3/mmc
194
hexagonal
6/mmm
4,938.7553
false
[CIF] data_SrNi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54925753 _cell_length_b 4.54925753 _cell_length_c 4.54925753 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNi2Pt _chemical_formula_sum 'Sr1 Ni2 Pt1' _cell_volume 66.57429414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 1.60840543 1.60840543 1.60840542 1 Ni Ni1 1 4.82521628 4.82521627 4.82521627 1 Pt Pt2 1 3.21681085 3.21681085 3.21681085 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2PtSr
Fm-3m
225
cubic
m-3m
9,979.323284
false
[CIF] data_VNi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66423639 _cell_length_b 2.66423639 _cell_length_c 7.34905991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.35416678 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNi2As _chemical_formula_sum 'V1 Ni2 As1' _cell_volume 52.12074358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.67452995 1 Ni Ni1 1 1.84480200 0.00000000 5.61992621 1 Ni Ni2 1 1.84480200 0.00000000 1.72913370 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsNi2V
Cmmm
65
orthorhombic
mmm
7,749.811959
false
[CIF] data_LaTi3Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78082886 _cell_length_b 4.78082886 _cell_length_c 4.78082886 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTi3Ag _chemical_formula_sum 'La1 Ti3 Ag1' _cell_volume 109.27217623 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 2.39041443 0.00000000 2.39041443 1 Ti Ti1 1 2.39041443 2.39041443 0.00000000 1 Ti Ti2 1 0.00000000 2.39041443 2.39041443 1 Ag Ag3 1 0.00000000 0.00000000 0.00000000 1 La La4 1 2.39041443 2.39041443 2.39041443 1 [/CIF]
AgLaTi3
Pm-3m
221
cubic
m-3m
5,932.273087
false
[CIF] data_LiHfB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90909814 _cell_length_b 3.90909814 _cell_length_c 3.90909814 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfB2 _chemical_formula_sum 'Li1 Hf1 B2' _cell_volume 42.23910642 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.14622470 4.14622470 4.14622470 1 B B1 1 2.76414980 2.76414980 2.76414980 1 Hf Hf2 1 1.38207490 1.38207490 1.38207490 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2HfLi
F-43m
216
cubic
-43m
8,139.840648
false
[CIF] data_TaMn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79926133 _cell_length_b 2.79926133 _cell_length_c 6.89620038 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMn2Rh _chemical_formula_sum 'Ta1 Mn2 Rh1' _cell_volume 54.03768825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.30183566 1 Mn Mn1 1 1.39963067 1.39963067 1.50401158 1 Rh Rh2 1 0.00000000 0.00000000 3.27276457 1 Ta Ta3 1 1.39963067 1.39963067 5.26568876 1 [/CIF]
Mn2RhTa
P4mm
99
tetragonal
4mm
12,099.021771
false
[CIF] data_CdTe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98178066 _cell_length_b 7.98178066 _cell_length_c 7.98178066 _cell_angle_alpha 149.24489847 _cell_angle_beta 149.24489847 _cell_angle_gamma 44.05095228 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdTe2Br _chemical_formula_sum 'Cd1 Te2 Br1' _cell_volume 132.59382017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 0.00000000 0.00000000 7.39924793 1 Te Te2 1 -0.00000000 2.11659544 3.69962396 1 Te Te3 1 2.11659544 0.00000000 3.69962397 1 [/CIF]
BrCdTe2
I4/mmm
139
tetragonal
4/mmm
5,604.455316
false
[CIF] data_TaZnCoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62044076 _cell_length_b 4.62044076 _cell_length_c 4.62044076 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnCoPb _chemical_formula_sum 'Ta1 Zn1 Co1 Pb1' _cell_volume 69.74855586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.26714499 3.26714499 3.26714499 1 Ta Ta2 1 1.63357249 1.63357249 1.63357249 1 Zn Zn3 1 4.90071748 4.90071748 4.90071748 1 [/CIF]
CoPbTaZn
F-43m
216
cubic
-43m
12,200.419416
false
[CIF] data_Mn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48772088 _cell_length_b 5.48772088 _cell_length_c 5.48772088 _cell_angle_alpha 148.99327903 _cell_angle_beta 148.99327903 _cell_angle_gamma 44.42119917 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2Pd _chemical_formula_sum 'Mn2 Pd1' _cell_volume 43.72550641 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38213972 1 Mn Mn1 1 -0.00000000 0.00000000 6.77893160 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2Pd
I4/mmm
139
tetragonal
4/mmm
8,214.155463
false
[CIF] data_BeTlSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39518116 _cell_length_b 3.39518116 _cell_length_c 9.21884157 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.06801563 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTlSb2 _chemical_formula_sum 'Be1 Tl1 Sb2' _cell_volume 100.43716876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.96995078 0.00000000 1.64658596 1 Sb Sb2 1 1.96995078 0.00000000 7.57225561 1 Tl Tl3 1 0.00000000 0.00000000 4.60942078 1 [/CIF]
BeSb2Tl
Cmmm
65
orthorhombic
mmm
7,554.235323
false
[CIF] data_KZrVCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73581480 _cell_length_b 4.73581480 _cell_length_c 4.73581480 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrVCo _chemical_formula_sum 'K1 Zr1 V1 Co1' _cell_volume 75.10504897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.67436338 1.67436338 1.67436338 1 K K1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 3.34872676 3.34872676 3.34872676 1 Zr Zr3 1 5.02309014 5.02309014 5.02309014 1 [/CIF]
CoKVZr
F-43m
216
cubic
-43m
5,310.64821
false
[CIF] data_FeIrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86896952 _cell_length_b 3.86896952 _cell_length_c 3.82770740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeIrW2 _chemical_formula_sum 'Fe1 Ir1 W2' _cell_volume 57.29666555 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.93448476 1.93448476 0.00000000 1 W W2 1 1.93448476 0.00000000 1.91385370 1 W W3 1 0.00000000 1.93448476 1.91385370 1 [/CIF]
FeIrW2
P4/mmm
123
tetragonal
4/mmm
17,845.081141
false
[CIF] data_LiHfNiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38588767 _cell_length_b 4.38588767 _cell_length_c 4.38588767 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfNiIr _chemical_formula_sum 'Li1 Hf1 Ni1 Ir1' _cell_volume 59.65646487 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.65193637 4.65193637 4.65193637 1 Ir Ir1 1 3.10129091 3.10129091 3.10129091 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 1.55064546 1.55064546 1.55064546 1 [/CIF]
HfIrLiNi
F-43m
216
cubic
-43m
12,145.572867
false
[CIF] data_Ho2TiCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92240365 _cell_length_b 4.92240365 _cell_length_c 4.92240365 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho2TiCr _chemical_formula_sum 'Ho2 Ti1 Cr1' _cell_volume 84.33671373 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 3.48066500 3.48066500 3.48066500 1 Ho Ho1 1 1.74033250 1.74033250 1.74033250 1 Ho Ho2 1 5.22099750 5.22099750 5.22099750 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrHo2Ti
Fm-3m
225
cubic
m-3m
8,461.001461
false
[CIF] data_AlRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42035235 _cell_length_b 5.48299619 _cell_length_c 4.65569567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlRh3 _chemical_formula_sum 'Al2 Rh6' _cell_volume 112.83904886 _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 Al Al0 1 0.00000000 0.00000000 3.09707551 1 Al Al1 1 2.21017617 2.74149809 1.55862016 1 Rh Rh2 1 2.21017617 0.00000000 1.56358913 1 Rh Rh3 1 0.00000000 2.74149809 3.09210654 1 Rh Rh4 1 0.00000000 1.36128830 0.78394424 1 Rh Rh5 1 0.00000000 4.12170789 0.78394424 1 Rh Rh6 1 2.21017617 4.10278640 3.87175143 1 Rh Rh7 1 2.21017617 1.38020979 3.87175143 1 [/CIF]
Al2Rh6
Pmmn
59
orthorhombic
mmm
9,880.262433
false
[CIF] data_AgHgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12948425 _cell_length_b 3.12948425 _cell_length_c 7.10348240 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHgPd2 _chemical_formula_sum 'Ag1 Hg1 Pd2' _cell_volume 69.56917435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 0.00000000 3.55174120 1 Pd Pd2 1 1.56474212 1.56474212 5.34982965 1 Pd Pd3 1 1.56474212 1.56474212 1.75365275 1 [/CIF]
AgHgPd2
P4/mmm
123
tetragonal
4/mmm
12,442.810118
false
[CIF] data_TiTePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19610066 _cell_length_b 5.19610066 _cell_length_c 5.19610066 _cell_angle_alpha 136.19104198 _cell_angle_beta 132.95842891 _cell_angle_gamma 66.22665797 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTePt2 _chemical_formula_sum 'Ti1 Te1 Pt2' _cell_volume 69.97870395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07366884 2.09210839 1 Pt Pt1 1 1.93845894 -0.00000000 2.26010214 1 Te Te2 1 0.00000000 0.00000000 4.35221053 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pt2TeTi
Immm
71
orthorhombic
mmm
13,422.069314
false
[CIF] data_CaZrOsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66058113 _cell_length_b 4.66058113 _cell_length_c 4.66058113 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrOsRu _chemical_formula_sum 'Ca1 Zr1 Os1 Ru1' _cell_volume 71.58222920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.64776426 1.64776426 1.64776426 1 Ru Ru2 1 3.29552852 3.29552852 3.29552852 1 Zr Zr3 1 4.94329278 4.94329278 4.94329278 1 [/CIF]
CaOsRuZr
F-43m
216
cubic
-43m
9,803.370731
false
[CIF] data_Ho2OsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79985922 _cell_length_b 4.79985922 _cell_length_c 4.79985922 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho2OsRu _chemical_formula_sum 'Ho2 Os1 Ru1' _cell_volume 78.19347247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 1.69700650 1.69700650 1.69700650 1 Ho Ho1 1 5.09101950 5.09101950 5.09101950 1 Os Os2 1 3.39401300 3.39401300 3.39401300 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ho2OsRu
Fm-3m
225
cubic
m-3m
13,191.145971
false
[CIF] data_CdCuB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95974176 _cell_length_b 3.95974176 _cell_length_c 5.51581064 _cell_angle_alpha 110.84488764 _cell_angle_beta 110.84488764 _cell_angle_gamma 45.82723147 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCuB2 _chemical_formula_sum 'Cd1 Cu1 B2' _cell_volume 57.21512909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09641136 -0.00000000 4.97990798 1 B B1 1 2.06728511 -0.00000000 0.10767514 1 Cd Cd2 1 2.58184823 0.00000000 2.54379156 1 Cu Cu3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
B2CdCu
C2/m
12
monoclinic
2/m
5,734.28136
false
[CIF] data_HgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06314177 _cell_length_b 3.06314177 _cell_length_c 5.12837800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgAs _chemical_formula_sum 'Hg1 As1' _cell_volume 41.67204888 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.53157087 0.88425287 2.56418900 1 [/CIF]
AsHg
P-6m2
187
hexagonal
-6m2
10,979.279647
false
[CIF] data_CrCdSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67869969 _cell_length_b 4.67869969 _cell_length_c 4.67869969 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCdSn _chemical_formula_sum 'Cr1 Cd1 Sn1' _cell_volume 72.42033235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.30834028 3.30834028 3.30834028 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.65417014 1.65417014 1.65417014 1 [/CIF]
CdCrSn
F-43m
216
cubic
-43m
6,491.643848
false
[CIF] data_GdPaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32840600 _cell_length_b 4.32840600 _cell_length_c 4.32840600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdPaO3 _chemical_formula_sum 'Gd1 Pa1 O3' _cell_volume 81.09311276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 0.00000000 0.00000000 0.00000000 1 O O1 1 0.00000000 0.00000000 2.16420300 1 O O2 1 0.00000000 2.16420300 0.00000000 1 O O3 1 2.16420300 0.00000000 0.00000000 1 Pa Pa4 1 2.16420300 2.16420300 2.16420300 1 [/CIF]
GdO3Pa
Pm-3m
221
cubic
m-3m
8,933.76434
false
[CIF] data_VPt2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97195006 _cell_length_b 2.97195006 _cell_length_c 8.22095614 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPt2Pb _chemical_formula_sum 'V1 Pt2 Pb1' _cell_volume 72.61148938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.11047807 1 Pt Pt1 1 1.48597503 1.48597503 6.58104055 1 Pt Pt2 1 1.48597503 1.48597503 1.63991559 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbPt2V
P4/mmm
123
tetragonal
4/mmm
14,826.796405
false
[CIF] data_TiRu2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03734440 _cell_length_b 3.03734440 _cell_length_c 7.60290639 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.27686041 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiRu2Pb _chemical_formula_sum 'Ti1 Ru2 Pb1' _cell_volume 70.12289973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12366249 0.00000000 1.75145463 1 Ru Ru1 1 0.00000000 0.00000000 7.38102142 1 Ru Ru2 1 2.12366249 0.00000000 5.70038132 1 Ti Ti3 1 0.00000000 0.00000000 4.17440860 1 [/CIF]
PbRu2Ti
Cmm2
35
orthorhombic
mm2
10,826.849544
false
[CIF] data_Ba2CoCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50205676 _cell_length_b 5.50205676 _cell_length_c 3.88009203 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CoCu _chemical_formula_sum 'Ba2 Co1 Cu1' _cell_volume 117.46058492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.75102838 0.00000000 1.94004602 1 Ba Ba1 1 0.00000000 2.75102838 1.94004602 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Cu Cu3 1 2.75102838 2.75102838 0.00000000 1 [/CIF]
Ba2CoCu
P4/mmm
123
tetragonal
4/mmm
5,614.267845
false
[CIF] data_BC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41016645 _cell_length_b 3.41016645 _cell_length_c 3.41016645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BC _chemical_formula_sum 'B3 C3' _cell_volume 39.65762778 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.70508323 0.00000000 1.70508323 1 B B1 1 1.70508323 1.70508323 0.00000000 1 B B2 1 0.00000000 1.70508323 1.70508323 1 C C3 1 0.00000000 1.70508323 0.00000000 1 C C4 1 0.00000000 0.00000000 1.70508323 1 C C5 1 1.70508323 0.00000000 0.00000000 1 [/CIF]
C3B3
Pm-3m
221
cubic
m-3m
2,866.761822
false
[CIF] data_Al2HgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03034492 _cell_length_b 5.03034492 _cell_length_c 5.03034492 _cell_angle_alpha 134.15880583 _cell_angle_beta 134.15880583 _cell_angle_gamma 66.84007295 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2HgRh _chemical_formula_sum 'Al2 Hg1 Rh1' _cell_volume 64.45775717 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95909338 2.09930205 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 1.95909338 0.00000000 2.09930205 1 Rh Rh3 1 0.00000000 0.00000000 4.19860409 1 [/CIF]
Al2HgRh
I-4m2
119
tetragonal
-42m
9,208.727672
false
[CIF] data_Li5ReN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67056300 _cell_length_b 6.75608200 _cell_length_c 4.92413100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5ReN4 _chemical_formula_sum 'Li10 Re2 N8' _cell_volume 221.91517466 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 1.49447868 1 Li Li1 1 3.33528150 3.37804100 3.42965232 1 Li Li2 1 5.08523700 2.03563453 1.20481175 1 Li Li3 1 1.58532600 4.72044747 1.20481175 1 Li Li4 1 1.74995550 1.34240647 3.71931925 1 Li Li5 1 4.92060750 5.41367553 3.71931925 1 Li Li6 1 4.92060750 1.34240647 3.71931925 1 Li Li7 1 1.74995550 5.41367553 3.71931925 1 Li Li8 1 5.08523700 4.72044747 1.20481175 1 Li Li9 1 1.58532600 2.03563453 1.20481175 1 Re Re10 1 3.33528150 0.00000000 1.37006559 1 Re Re11 1 0.00000000 3.37804100 3.55406541 1 N N12 1 4.86822357 0.00000000 0.36034791 1 N N13 1 0.00000000 4.92336639 2.55196536 1 N N14 1 3.33528150 1.54532539 2.37216564 1 N N15 1 3.33528150 5.21075661 2.37216564 1 N N16 1 1.80233943 0.00000000 0.36034791 1 N N17 1 1.53294207 3.37804100 4.56378309 1 N N18 1 5.13762093 3.37804100 4.56378309 1 N N19 1 0.00000000 1.83271561 2.55196536 1 [/CIF]
Li10N8Re2
Pmmn
59
orthorhombic
mmm
4,144.535831
false
[CIF] data_CrMoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69006580 _cell_length_b 2.69006580 _cell_length_c 8.03332921 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrMoPd2 _chemical_formula_sum 'Cr1 Mo1 Pd2' _cell_volume 58.13281723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 0.00000000 4.01666460 1 Pd Pd2 1 1.34503290 1.34503290 6.13447239 1 Pd Pd3 1 1.34503290 1.34503290 1.89885682 1 [/CIF]
CrMoPd2
P4/mmm
123
tetragonal
4/mmm
10,306.55734
false
[CIF] data_Na2MoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83137799 _cell_length_b 2.83137799 _cell_length_c 10.04143836 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MoAu _chemical_formula_sum 'Na2 Mo1 Au1' _cell_volume 80.49921218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41568900 1.41568900 5.17061024 1 Mo Mo1 1 0.00000000 0.00000000 7.25211506 1 Na Na2 1 1.41568900 1.41568900 9.82449037 1 Na Na3 1 0.00000000 0.00000000 2.85638023 1 [/CIF]
AuMoNa2
P4mm
99
tetragonal
4mm
6,990.960735
false
[CIF] data_K2LaZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91895817 _cell_length_b 5.91895817 _cell_length_c 5.91895817 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LaZn _chemical_formula_sum 'K2 La1 Zn1' _cell_volume 146.62931801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.27800319 6.27800319 6.27800319 1 K K1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 2.09266773 2.09266773 2.09266773 1 Zn Zn3 1 4.18533546 4.18533546 4.18533546 1 [/CIF]
K2LaZn
F-43m
216
cubic
-43m
3,199.036313
false
[CIF] data_SiPtRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64352982 _cell_length_b 4.64352982 _cell_length_c 4.64352982 _cell_angle_alpha 130.50228568 _cell_angle_beta 130.50228568 _cell_angle_gamma 72.60504522 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPtRh2 _chemical_formula_sum 'Si1 Pt1 Rh2' _cell_volume 56.56813600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.94397486 -0.00000000 1.87111548 1 Rh Rh1 1 0.00000000 -0.00000000 3.74223097 1 Rh Rh2 1 -0.00000000 1.94397486 1.87111549 1 Si Si3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
PtRh2Si
I-4m2
119
tetragonal
-42m
12,592.581786
false
[CIF] data_ScPt3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81557003 _cell_length_b 4.81557003 _cell_length_c 4.81557003 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPt3O _chemical_formula_sum 'Sc1 Pt3 O1' _cell_volume 111.67169518 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40778502 2.40778502 2.40778502 1 O O1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 2.40778502 0.00000000 2.40778502 1 Pt Pt3 1 2.40778502 2.40778502 0.00000000 1 Pt Pt4 1 0.00000000 2.40778502 2.40778502 1 [/CIF]
OPt3Sc
Pm-3m
221
cubic
m-3m
9,608.992547
false
[CIF] data_HfTh2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49249622 _cell_length_b 5.49249622 _cell_length_c 5.49249622 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTh2Bi _chemical_formula_sum 'Hf1 Th2 Bi1' _cell_volume 117.16403027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.88378132 3.88378132 3.88378132 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 Th Th2 1 1.94189066 1.94189066 1.94189066 1 Th Th3 1 5.82567198 5.82567198 5.82567198 1 [/CIF]
BiHfTh2
Fm-3m
225
cubic
m-3m
12,068.774523
false
[CIF] data_TaNbSnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67245687 _cell_length_b 4.67245687 _cell_length_c 4.67245687 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbSnIr _chemical_formula_sum 'Ta1 Nb1 Sn1 Ir1' _cell_volume 72.13082622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65196297 1.65196297 1.65196297 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 4.95588891 4.95588891 4.95588891 1 Ta Ta3 1 3.30392594 3.30392594 3.30392594 1 [/CIF]
IrNbSnTa
F-43m
216
cubic
-43m
13,462.373559
false
[CIF] data_SiW2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74723002 _cell_length_b 4.74723002 _cell_length_c 4.74723002 _cell_angle_alpha 129.21241623 _cell_angle_beta 129.21241623 _cell_angle_gamma 74.66902639 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiW2Cl _chemical_formula_sum 'Si1 W2 Cl1' _cell_volume 62.57374083 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03578908 1.88728101 1 Si Si1 1 0.00000000 -0.00000000 -0.00000000 1 W W2 1 2.03578908 0.00000000 1.88728101 1 W W3 1 -0.00000000 0.00000000 3.77456203 1 [/CIF]
ClSiW2
I-4m2
119
tetragonal
-42m
11,443.381136
false
[CIF] data_MoAs2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95502540 _cell_length_b 4.73573913 _cell_length_c 5.02452993 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.55322465 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoAs2Se _chemical_formula_sum 'Mo1 As2 Se1' _cell_volume 69.70431910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00288729 2.36786957 0.06536508 1 As As1 1 1.95402350 0.00000000 1.34949847 1 Mo Mo2 1 1.07316810 2.36786957 2.45243553 1 Se Se3 1 0.41754367 0.00000000 3.60410041 1 [/CIF]
As2MoSe
Pm
6
monoclinic
m
7,736.708255
false
[CIF] data_ZrOsPdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75180032 _cell_length_b 4.75180032 _cell_length_c 4.75180032 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrOsPdPb _chemical_formula_sum 'Zr1 Os1 Pd1 Pb1' _cell_volume 75.86815973 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.68001512 1.68001512 1.68001511 1 Pb Pb1 1 5.04004535 5.04004535 5.04004535 1 Pd Pd2 1 3.36003023 3.36003023 3.36003023 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsPbPdZr
F-43m
216
cubic
-43m
13,024.483895
false
[CIF] data_LiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31087567 _cell_length_b 5.31087567 _cell_length_c 4.85356077 _cell_angle_alpha 101.33121195 _cell_angle_beta 101.33121195 _cell_angle_gamma 35.48635652 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHg _chemical_formula_sum 'Li2 Hg2' _cell_volume 77.76035656 _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 Hg Hg0 1 5.38553326 -0.00000000 3.86932387 1 Hg Hg1 1 3.72970677 0.00000000 0.87983784 1 Li Li2 1 0.94472575 0.00000000 1.52825068 1 Li Li3 1 8.17051429 -0.00000000 3.22091104 1 [/CIF]
Hg2Li2
C2/m
12
monoclinic
2/m
8,863.471009
false
[CIF] data_Si2TcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26979399 _cell_length_b 5.26979399 _cell_length_c 5.26979399 _cell_angle_alpha 141.34552385 _cell_angle_beta 141.34552385 _cell_angle_gamma 55.81589663 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2TcMo _chemical_formula_sum 'Si2 Tc1 Mo1' _cell_volume 56.66371995 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.65692068 1 Si Si1 1 0.00000000 1.74410700 2.32846034 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 1.74410700 -0.00000000 2.32846034 1 [/CIF]
MoSi2Tc
I-4m2
119
tetragonal
-42m
7,356.683926
false
[CIF] data_HfZnGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39652967 _cell_length_b 4.39652967 _cell_length_c 4.39652967 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZnGaNi _chemical_formula_sum 'Hf1 Zn1 Ga1 Ni1' _cell_volume 60.09177408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 4.66322391 4.66322391 4.66322391 1 Hf Hf1 1 1.55440797 1.55440797 1.55440797 1 Ni Ni2 1 0.00000000 -0.00000000 0.00000000 1 Zn Zn3 1 3.10881594 3.10881594 3.10881594 1 [/CIF]
GaHfNiZn
F-43m
216
cubic
-43m
10,287.533038
false
[CIF] data_ScAg2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66126640 _cell_length_b 4.66126640 _cell_length_c 4.66126640 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAg2Pt _chemical_formula_sum 'Sc1 Ag2 Pt1' _cell_volume 71.61380925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 4.94401962 4.94401962 4.94401962 1 Ag Ag1 1 3.29601308 3.29601308 3.29601308 1 Pt Pt2 1 1.64800654 1.64800654 1.64800654 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2PtSc
F-43m
216
cubic
-43m
10,568.274186
false
[CIF] data_Co2PRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54212021 _cell_length_b 3.54212021 _cell_length_c 3.64737721 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2PRu _chemical_formula_sum 'Co2 P1 Ru1' _cell_volume 45.76223974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.77106011 0.00000000 1.82368861 1 Co Co1 1 0.00000000 1.77106011 1.82368861 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 1.77106011 1.77106011 0.00000000 1 [/CIF]
Co2PRu
P4/mmm
123
tetragonal
4/mmm
9,068.296764
false
[CIF] data_TiNO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93129105 _cell_length_b 3.93129105 _cell_length_c 3.93129105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNO3 _chemical_formula_sum 'Ti1 N1 O3' _cell_volume 60.75829707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N N0 1 0.00000000 0.00000000 0.00000000 1 O O1 1 0.00000000 1.96564553 1.96564553 1 O O2 1 1.96564553 0.00000000 1.96564553 1 O O3 1 1.96564553 1.96564553 0.00000000 1 Ti Ti4 1 1.96564553 1.96564553 1.96564553 1 [/CIF]
NO3Ti
Pm-3m
221
cubic
m-3m
3,002.825804
false
[CIF] data_AuI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26980550 _cell_length_b 4.26980550 _cell_length_c 4.26980550 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AuI _chemical_formula_sum 'Au1 I1' _cell_volume 55.04391020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.01920842 3.01920842 3.01920842 1 I I1 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
AuI
Fm-3m
225
cubic
m-3m
9,770.390782
false
[CIF] data_NaScNbIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65633365 _cell_length_b 4.65633365 _cell_length_c 4.65633365 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaScNbIr _chemical_formula_sum 'Na1 Sc1 Nb1 Ir1' _cell_volume 71.38669551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29252510 3.29252510 3.29252510 1 Na Na1 1 -0.00000000 -0.00000000 0.00000000 1 Nb Nb2 1 4.93878765 4.93878765 4.93878765 1 Sc Sc3 1 1.64626255 1.64626255 1.64626255 1 [/CIF]
IrNaNbSc
F-43m
216
cubic
-43m
8,212.804435
false
[CIF] data_ScCd2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82857478 _cell_length_b 4.82857478 _cell_length_c 4.82857478 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCd2Au _chemical_formula_sum 'Sc1 Cd2 Au1' _cell_volume 79.60528236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41431797 3.41431797 3.41431797 1 Cd Cd1 1 1.70715898 1.70715898 1.70715898 1 Cd Cd2 1 5.12147696 5.12147696 5.12147696 1 Sc Sc3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
AuCd2Sc
Fm-3m
225
cubic
m-3m
9,736.130843
false
[CIF] data_BeTl2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25722554 _cell_length_b 4.38678875 _cell_length_c 5.34815216 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.36666516 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTl2Ir _chemical_formula_sum 'Be1 Tl2 Ir1' _cell_volume 76.39672617 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.56483460 0.00000000 2.67331540 1 Tl Tl2 1 0.59330670 2.19339438 4.04128960 1 Tl Tl3 1 2.53636249 2.19339438 1.30534120 1 [/CIF]
BeIrTl2
P2/m
10
monoclinic
2/m
13,258.707241
false
[CIF] data_Nb2CoSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81484285 _cell_length_b 8.81484285 _cell_length_c 8.81484285 _cell_angle_alpha 18.64094527 _cell_angle_beta 18.64094527 _cell_angle_gamma 18.64094527 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2CoSi _chemical_formula_sum 'Nb2 Co1 Si1' _cell_volume 61.13647882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.98899426 1 Nb Nb1 1 -0.00000000 -0.00000000 6.41943659 1 Nb Nb2 1 -0.00000000 0.00000000 19.55855193 1 Si Si3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
CoNb2Si
R-3m
166
trigonal
-3m
7,410.424977
false
[CIF] data_VNiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07442160 _cell_length_b 5.07442160 _cell_length_c 3.35166661 _cell_angle_alpha 105.76329739 _cell_angle_beta 105.76329739 _cell_angle_gamma 103.91665691 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNiBr2 _chemical_formula_sum 'V1 Ni1 Br2' _cell_volume 75.19168316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56351667 1.99821277 0.00000000 1 Br Br1 1 1.56351667 -1.99821277 0.00000000 1 Ni Ni2 1 3.12703334 0.00000000 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2NiV
C2/m
12
monoclinic
2/m
5,950.398274
false
[CIF] data_BaAlTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93168898 _cell_length_b 6.93168898 _cell_length_c 6.93168898 _cell_angle_alpha 147.80579793 _cell_angle_beta 147.80579793 _cell_angle_gamma 46.17213022 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAlTl _chemical_formula_sum 'Ba1 Al1 Tl1' _cell_volume 94.21480428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.44415589 1 Ba Ba1 1 -0.00000000 -0.00000000 8.46261078 1 Tl Tl2 1 0.00000000 -0.00000000 4.59954440 1 [/CIF]
AlBaTl
I4mm
107
tetragonal
4mm
6,498.226171
false
[CIF] data_HfMgBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22822071 _cell_length_b 5.22822071 _cell_length_c 5.22822071 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgBr2 _chemical_formula_sum 'Hf1 Mg1 Br2' _cell_volume 101.05242555 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 5.54536548 5.54536548 5.54536548 1 Br Br1 1 3.69691032 3.69691032 3.69691032 1 Hf Hf2 1 1.84845516 1.84845516 1.84845516 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2HfMg
F-43m
216
cubic
-43m
5,958.456157
false
[CIF] data_LaIr2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97756429 _cell_length_b 4.65801649 _cell_length_c 5.43318845 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.87224321 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaIr2Pt _chemical_formula_sum 'La1 Ir2 Pt1' _cell_volume 74.24001228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.32414205 0.00000000 0.30699378 1 Ir Ir1 1 2.01420677 2.32900824 0.88550524 1 La La2 1 1.12813367 0.00000000 2.88604533 1 Pt Pt3 1 -0.39743133 2.32900824 3.95056048 1 [/CIF]
Ir2LaPt
Pm
6
monoclinic
m
16,069.100768
false
[CIF] data_KPt2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69958744 _cell_length_b 4.69958744 _cell_length_c 4.69958744 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPt2W _chemical_formula_sum 'K1 Pt2 W1' _cell_volume 73.39461665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 4.98466523 4.98466523 4.98466523 1 Pt Pt2 1 1.66155508 1.66155508 1.66155508 1 W W3 1 3.32311015 3.32311015 3.32311015 1 [/CIF]
KPt2W
Fm-3m
225
cubic
m-3m
13,871.411959
false
[CIF] data_RuRhSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07736650 _cell_length_b 4.07736650 _cell_length_c 4.07736650 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RuRhSe _chemical_formula_sum 'Ru1 Rh1 Se1' _cell_volume 47.93185675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 4.32470025 4.32470025 4.32470025 1 Ru Ru1 1 1.44156675 1.44156675 1.44156675 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RhRuSe
F-43m
216
cubic
-43m
9,801.945574
false
[CIF] data_Fe2HgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89284594 _cell_length_b 8.89284594 _cell_length_c 8.89284594 _cell_angle_alpha 19.09929604 _cell_angle_beta 19.09929604 _cell_angle_gamma 19.09929604 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2HgGe _chemical_formula_sum 'Fe2 Hg1 Ge1' _cell_volume 65.81097767 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 25.84443231 1 Fe Fe1 1 -0.00000000 0.00000000 6.68931749 1 Ge Ge2 1 0.00000000 -0.00000000 13.49003877 1 Hg Hg3 1 -0.00000000 -0.00000000 19.43730424 1 [/CIF]
Fe2GeHg
R3m
160
trigonal
3m
9,712.280841
false
[CIF] data_MnBeAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17368499 _cell_length_b 4.17368499 _cell_length_c 4.17368499 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBeAlPt _chemical_formula_sum 'Mn1 Be1 Al1 Pt1' _cell_volume 51.40957399 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.95124096 2.95124096 2.95124096 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.42686144 4.42686144 4.42686144 1 Pt Pt3 1 1.47562048 1.47562048 1.47562048 1 [/CIF]
AlBeMnPt
F-43m
216
cubic
-43m
9,238.3639
false
[CIF] data_TiOsW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47087461 _cell_length_b 4.47087461 _cell_length_c 3.10951172 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiOsW2 _chemical_formula_sum 'Ti1 Os1 W2' _cell_volume 62.15515842 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 2.23543731 2.23543731 0.00000000 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 0.00000000 2.23543731 1.55475586 1 W W3 1 2.23543731 0.00000000 1.55475586 1 [/CIF]
OsTiW2
P4/mmm
123
tetragonal
4/mmm
16,183.956404
false
[CIF] data_SbTePb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51526966 _cell_length_b 6.51526966 _cell_length_c 6.51526966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbTePb4 _chemical_formula_sum 'Sb1 Te1 Pb4' _cell_volume 195.56097281 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45300529 3.45300529 5.76097743 1 Pb Pb1 1 3.45300529 5.76097743 3.45300529 1 Pb Pb2 1 5.76097743 3.45300529 3.45300529 1 Pb Pb3 1 5.76097743 5.76097743 5.76097743 1 Sb Sb4 1 0.00000000 0.00000000 0.00000000 1 Te Te5 1 2.30349568 2.30349568 2.30349568 1 [/CIF]
Pb4SbTe
F-43m
216
cubic
-43m
9,154.826622
false
[CIF] data_TiCoIr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10601302 _cell_length_b 5.10601302 _cell_length_c 5.10601302 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCoIr4 _chemical_formula_sum 'Ti1 Co1 Ir4' _cell_volume 94.13058449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.41574465 5.41574465 5.41574465 1 Ir Ir1 1 4.51056171 2.71043115 4.51056171 1 Ir Ir2 1 2.71043115 4.51056171 4.51056171 1 Ir Ir3 1 2.71043115 2.71043115 2.71043115 1 Ir Ir4 1 4.51056171 4.51056171 2.71043115 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoIr4Ti
F-43m
216
cubic
-43m
15,447.489836
false
[CIF] data_GaMo2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40881781 _cell_length_b 4.40881781 _cell_length_c 3.15060124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaMo2As _chemical_formula_sum 'Ga1 Mo2 As1' _cell_volume 61.24036132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20440891 2.20440891 0.00000000 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 0.00000000 2.20440891 1.57530062 1 Mo Mo3 1 2.20440891 0.00000000 1.57530062 1 [/CIF]
AsGaMo2
P4/mmm
123
tetragonal
4/mmm
9,125.985782
false
[CIF] data_Y4TlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36089595 _cell_length_b 6.36089595 _cell_length_c 6.36089595 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4TlHg _chemical_formula_sum 'Y4 Tl1 Hg1' _cell_volume 181.98679500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 2.24891633 2.24891633 2.24891633 1 Y Y2 1 3.37571175 3.37571175 5.61995357 1 Y Y3 1 3.37571175 5.61995357 3.37571175 1 Y Y4 1 5.61995357 3.37571175 3.37571175 1 Y Y5 1 5.61995357 5.61995357 5.61995357 1 [/CIF]
HgTlY4
F-43m
216
cubic
-43m
6,940.066911
false
[CIF] data_HgPbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20552420 _cell_length_b 5.20552420 _cell_length_c 5.20552420 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgPbSe2 _chemical_formula_sum 'Hg1 Pb1 Se2' _cell_volume 99.74207780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 3.68086146 3.68086146 3.68086146 1 Se Se2 1 5.52129219 5.52129219 5.52129219 1 Se Se3 1 1.84043073 1.84043073 1.84043073 1 [/CIF]
HgPbSe2
Fm-3m
225
cubic
m-3m
9,418.126994
false
[CIF] data_MnSbAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20377020 _cell_length_b 6.20377020 _cell_length_c 6.20377020 _cell_angle_alpha 150.69505214 _cell_angle_beta 134.47561656 _cell_angle_gamma 55.06598538 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSbAs2 _chemical_formula_sum 'Mn1 Sb1 As2' _cell_volume 82.88514586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56927793 -0.00000000 1.96016839 1 As As1 1 0.00000000 2.40028326 3.54099256 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 -0.00000000 5.50116095 1 [/CIF]
As2MnSb
Immm
71
orthorhombic
mmm
6,541.998431
false
[CIF] data_KSbRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54871421 _cell_length_b 4.54871421 _cell_length_c 4.55169831 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSbRu2 _chemical_formula_sum 'K1 Sb1 Ru2' _cell_volume 94.17828378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 0.00000000 2.27435710 2.27584915 1 Ru Ru2 1 2.27435710 0.00000000 2.27584915 1 Sb Sb3 1 2.27435710 2.27435710 0.00000000 1 [/CIF]
KRu2Sb
P4/mmm
123
tetragonal
4/mmm
6,400.338104
false
[CIF] data_BaCaZrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73484257 _cell_length_b 5.73484257 _cell_length_c 5.73484257 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaZrCd _chemical_formula_sum 'Ba1 Ca1 Zr1 Cd1' _cell_volume 133.36734427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 4.05514607 4.05514607 4.05514607 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 6.08271911 6.08271911 6.08271911 1 Zr Zr3 1 2.02757304 2.02757303 2.02757304 1 [/CIF]
BaCaCdZr
F-43m
216
cubic
-43m
4,744.278365
false
[CIF] data_ZnCr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63093233 _cell_length_b 3.63093233 _cell_length_c 3.63093233 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCr3 _chemical_formula_sum 'Zn1 Cr3' _cell_volume 47.86901212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81546616 1.81546616 0.00000000 1 Cr Cr1 1 1.81546616 0.00000000 1.81546616 1 Cr Cr2 1 0.00000000 1.81546616 1.81546616 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr3Zn
Pm-3m
221
cubic
m-3m
7,679.095389
false
[CIF] data_Ca2FeIrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42333660 _cell_length_b 5.58643100 _cell_length_c 9.45769406 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.93651095 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2FeIrO6 _chemical_formula_sum 'Ca4 Fe2 Ir2 O12' _cell_volume 234.90234334 _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 Ca Ca0 1 0.07281121 2.48783884 1.93095249 1 Ca Ca1 1 2.64246418 5.28105434 1.94569538 1 Ca Ca2 1 -2.63524999 0.30537666 5.80760037 1 Ca Ca3 1 -0.06559702 3.09859216 5.82234326 1 Fe Fe4 1 0.00000000 0.00000000 0.00000000 1 Fe Fe5 1 -2.70806120 2.79321550 3.87664787 1 Ir Ir6 1 0.00360710 0.00000000 3.87664787 1 Ir Ir7 1 2.71166830 2.79321550 0.00000000 1 O O8 1 0.49970039 5.43917827 5.80047121 1 O O9 1 -3.20054740 2.64596277 5.82947241 1 O O10 1 3.20776159 2.94046824 1.92382334 1 O O11 1 -0.49248620 0.14725273 1.95282454 1 O O12 1 1.10671381 3.91838695 0.36059222 1 O O13 1 1.60856158 1.12517145 3.51605566 1 O O14 1 -1.60134739 4.46125955 4.23724009 1 O O15 1 -1.09949962 1.66804405 7.39270353 1 O O16 1 1.07388331 3.95031340 3.50185937 1 O O17 1 1.64139208 1.15709790 0.37478850 1 O O18 1 -1.63417789 4.42933310 7.37850725 1 O O19 1 -1.06666912 1.63611760 4.25143638 1 [/CIF]
Ca8Fe4Ir4O24
P2_1/c
14
monoclinic
2/m
5,997.595206
false
[CIF] data_Pm2YPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24913281 _cell_length_b 5.24913281 _cell_length_c 5.24913281 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pm2YPt _chemical_formula_sum 'Pm2 Y1 Pt1' _cell_volume 102.26986574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pm Pm0 1 1.85584870 1.85584870 1.85584870 1 Pm Pm1 1 5.56754611 5.56754611 5.56754611 1 Pt Pt2 1 3.71169741 3.71169741 3.71169741 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pm2PtY
Fm-3m
225
cubic
m-3m
9,319.779222
false
[CIF] data_Ir2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40764758 _cell_length_b 4.40764758 _cell_length_c 2.72066100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ir2Pd _chemical_formula_sum 'Ir2 Pd1' _cell_volume 45.77399181 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 2.20382379 1.27237826 1.36033050 1 Ir Ir1 1 -0.00000000 2.54475652 1.36033050 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2Pd
P6/mmm
191
hexagonal
6/mmm
17,806.667303
false
[CIF] data_Sr2HgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57182042 _cell_length_b 5.57182042 _cell_length_c 5.57182042 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2HgGe _chemical_formula_sum 'Sr2 Hg1 Ge1' _cell_volume 122.31404626 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 1.96993600 1.96993600 1.96993600 1 Sr Sr1 1 5.90980800 5.90980800 5.90980800 1 Hg Hg2 1 3.93987200 3.93987200 3.93987200 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeHgSr2
Fm-3m
225
cubic
m-3m
6,088.441826
false
[CIF] data_CuPbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52102129 _cell_length_b 4.52102129 _cell_length_c 4.52102129 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPbW _chemical_formula_sum 'Cu1 Pb1 W1' _cell_volume 65.34233620 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.19684481 3.19684481 3.19684481 1 W W2 1 1.59842241 1.59842241 1.59842241 1 [/CIF]
CuPbW
F-43m
216
cubic
-43m
11,552.354201
false
[CIF] data_Li2ZrAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91601612 _cell_length_b 2.91601612 _cell_length_c 9.47867247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.98397620 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZrAg _chemical_formula_sum 'Li2 Zr1 Ag1' _cell_volume 77.85807514 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77548162 0.00000000 2.18958784 1 Li Li1 1 0.00000000 0.00000000 0.18054729 1 Li Li2 1 1.77548162 0.00000000 7.23433079 1 Zr Zr3 1 0.00000000 0.00000000 4.61354278 1 [/CIF]
AgLi2Zr
Cmm2
35
orthorhombic
mm2
4,542.26461
false
[CIF] data_Ca2MgCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19637132 _cell_length_b 5.19637132 _cell_length_c 3.91806755 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2MgCu _chemical_formula_sum 'Ca2 Mg1 Cu1' _cell_volume 105.79673704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.59818566 1.95903378 1 Ca Ca1 1 2.59818566 0.00000000 1.95903378 1 Cu Cu2 1 2.59818566 2.59818566 0.00000000 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2CuMg
P4/mmm
123
tetragonal
4/mmm
2,636.964001
false
[CIF] data_W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79029759 _cell_length_b 2.79029759 _cell_length_c 9.76274600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural W _chemical_formula_sum W4 _cell_volume 65.82694032 _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 W W0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 0.00000000 1.61097906 2.44068650 1 W W2 1 0.00000000 0.00000000 4.88137300 1 W W3 1 1.39514879 0.80548953 7.32205950 1 [/CIF]
W4
P6_3/mmc
194
hexagonal
6/mmm
18,550.066619
false
[CIF] data_Al2TlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08391529 _cell_length_b 3.08391529 _cell_length_c 8.26011252 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2TlPd _chemical_formula_sum 'Al2 Tl1 Pd1' _cell_volume 78.55807697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54195765 1.54195765 6.73336478 1 Al Al1 1 1.54195765 1.54195765 1.52674774 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 4.13005626 1 [/CIF]
Al2PdTl
P4/mmm
123
tetragonal
4/mmm
7,710.331552
false
[CIF] data_La2BeCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33584470 _cell_length_b 5.33584470 _cell_length_c 3.85194270 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2BeCd _chemical_formula_sum 'La2 Be1 Cd1' _cell_volume 109.66957993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 2.66792235 2.66792235 0.00000000 1 La La2 1 2.66792235 0.00000000 1.92597135 1 La La3 1 0.00000000 2.66792235 1.92597135 1 [/CIF]
BeCdLa2
P4/mmm
123
tetragonal
4/mmm
6,044.920175
false
[CIF] data_NbCuAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81010500 _cell_length_b 2.81010500 _cell_length_c 7.08749373 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCuAg _chemical_formula_sum 'Nb1 Cu1 Ag1' _cell_volume 48.46948614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40505252 0.81120743 0.09229200 1 Cu Cu1 1 0.00000000 0.00000000 2.37550089 1 Nb Nb2 1 0.00000001 1.62241487 4.61970085 1 [/CIF]
AgCuNb
P3m1
156
trigonal
3m
9,055.48386
false
[CIF] data_Co2AsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04984353 _cell_length_b 3.04984353 _cell_length_c 6.80814305 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2AsPb _chemical_formula_sum 'Co2 As1 Pb1' _cell_volume 63.32625274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52492176 1.52492176 1.26265884 1 Co Co2 1 1.52492176 1.52492176 5.54548421 1 Pb Pb3 1 0.00000000 0.00000000 3.40407152 1 [/CIF]
AsCo2Pb
P4/mmm
123
tetragonal
4/mmm
10,488.472866
false
[CIF] data_MgScBeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53643965 _cell_length_b 4.53643965 _cell_length_c 4.53643965 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgScBeAu _chemical_formula_sum 'Mg1 Sc1 Be1 Au1' _cell_volume 66.01314373 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60387362 1.60387362 1.60387362 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 4.81162086 4.81162086 4.81162086 1 Sc Sc3 1 3.20774724 3.20774724 3.20774724 1 [/CIF]
AuBeMgSc
F-43m
216
cubic
-43m
6,923.563812
false
[CIF] data_CaSiP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00016428 _cell_length_b 6.00016428 _cell_length_c 5.39750715 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSiP3 _chemical_formula_sum 'Ca2 Si2 P6' _cell_volume 194.32089798 _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 Ca Ca0 1 0.00000000 3.00008214 2.69875358 1 Ca Ca1 1 3.00008214 0.00000000 2.69875358 1 P P2 1 0.00000000 0.00000000 2.69875358 1 P P3 1 3.00008214 3.00008214 2.69875358 1 P P4 1 0.74951058 3.74959272 0.00000000 1 P P5 1 5.25065370 2.25057156 0.00000000 1 P P6 1 2.25057156 0.74951058 0.00000000 1 P P7 1 3.74959272 5.25065370 0.00000000 1 Si Si8 1 0.00000000 0.00000000 0.00000000 1 Si Si9 1 3.00008214 3.00008214 0.00000000 1 [/CIF]
Ca2P6Si2
P4/mbm
127
tetragonal
4/mmm
2,753.050063
false
[CIF] data_HfAgRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.85846437 _cell_length_b 8.85846437 _cell_length_c 8.85846437 _cell_angle_alpha 19.65473961 _cell_angle_beta 19.65473961 _cell_angle_gamma 19.65473961 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAgRu2 _chemical_formula_sum 'Hf1 Ag1 Ru2' _cell_volume 68.77483739 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 -0.00000000 0.00000000 13.02707833 1 Ru Ru2 1 -0.00000000 0.00000000 6.36648195 1 Ru Ru3 1 0.00000000 0.00000000 19.68767471 1 [/CIF]
AgHfRu2
R-3m
166
trigonal
-3m
11,794.580333
false
[CIF] data_Y2AlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10629260 _cell_length_b 6.10629260 _cell_length_c 6.10629260 _cell_angle_alpha 144.70208577 _cell_angle_beta 133.69316260 _cell_angle_gamma 59.53880037 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2AlGa _chemical_formula_sum 'Y2 Al1 Ga1' _cell_volume 94.24146455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.69234166 1 Ga Ga1 1 -0.00000000 2.40096082 2.32398536 1 Y Y2 1 0.00000000 -0.00000000 10.46921975 1 Y Y3 1 1.85133172 0.00000000 2.71625214 1 [/CIF]
AlGaY2
Imm2
44
orthorhombic
mm2
4,836.989119
false
[CIF] data_InBPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98689436 _cell_length_b 3.98689436 _cell_length_c 3.74165535 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InBPd2 _chemical_formula_sum 'In1 B1 Pd2' _cell_volume 59.47483395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.99344718 1.99344718 0.00000000 1 Pd Pd2 1 1.99344718 0.00000000 1.87082767 1 Pd Pd3 1 0.00000000 1.99344718 1.87082767 1 [/CIF]
BInPd2
P4/mmm
123
tetragonal
4/mmm
9,450.064169
false
[CIF] data_CaCdAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34487935 _cell_length_b 5.34487935 _cell_length_c 5.34487935 _cell_angle_alpha 129.83496112 _cell_angle_beta 128.15217320 _cell_angle_gamma 75.02897264 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCdAs2 _chemical_formula_sum 'Ca1 Cd1 As2' _cell_volume 89.78435985 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26581793 0.00000000 2.13723111 1 As As1 1 -0.00000000 2.33665937 2.10232398 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Cd Cd3 1 0.00000000 0.00000000 4.23955509 1 [/CIF]
As2CaCd
Immm
71
orthorhombic
mmm
5,591.557706
false
[CIF] data_La2InAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03812367 _cell_length_b 6.03812367 _cell_length_c 6.03812367 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2InAs _chemical_formula_sum 'La2 In1 As1' _cell_volume 155.66501317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 4.26959819 4.26959819 4.26959819 1 La La2 1 2.13479909 2.13479909 2.13479909 1 La La3 1 6.40439728 6.40439729 6.40439728 1 [/CIF]
AsInLa2
Fm-3m
225
cubic
m-3m
4,987.542939
false
[CIF] data_CuB2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88801895 _cell_length_b 2.88801895 _cell_length_c 6.77321224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 126.37066046 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuB2Pd _chemical_formula_sum 'Cu1 B2 Pd1' _cell_volume 45.48803902 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.30280285 0.00000000 5.12355752 1 B B1 1 1.30280285 0.00000000 1.64965472 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 3.38660612 1 [/CIF]
B2CuPd
Cmmm
65
orthorhombic
mmm
6,993.912367
false
[CIF] data_NbNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18229751 _cell_length_b 6.18229751 _cell_length_c 3.83924966 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 147.21571961 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbNi2 _chemical_formula_sum 'Nb2 Ni4' _cell_volume 79.45598750 _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 Nb Nb0 1 1.74470529 -4.77253214 2.87943725 1 Nb Nb1 1 1.74470529 4.77253214 0.95981241 1 Ni Ni2 1 1.74470529 -0.87017802 2.87943725 1 Ni Ni3 1 1.74470529 0.87017802 0.95981241 1 Ni Ni4 1 1.74470529 3.03078789 2.87943725 1 Ni Ni5 1 1.74470529 -3.03078789 0.95981241 1 [/CIF]
Nb2Ni4
Cmcm
63
orthorhombic
mmm
8,789.772849
false
[CIF] data_Sr2WAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29715567 _cell_length_b 3.29715567 _cell_length_c 9.41360025 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2WAu _chemical_formula_sum 'Sr2 W1 Au1' _cell_volume 102.33746517 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.70680012 1 Sr Sr1 1 1.64857783 1.64857783 7.00332387 1 Sr Sr2 1 1.64857783 1.64857783 2.41027638 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuSr2W
P4/mmm
123
tetragonal
4/mmm
9,022.575096
false