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_NaTiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57193966 _cell_length_b 4.57193966 _cell_length_c 4.57193966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiW2 _chemical_formula_sum 'Na1 Ti1 W2' _cell_volume 67.57506520 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Ti Ti1 1 4.84927431 4.84927431 4.84927431 1 W W2 1 3.23284954 3.23284954 3.23284954 1 W W3 1 1.61642477 1.61642477 1.61642477 1 [/CIF]
NaTiW2
F-43m
216
cubic
-43m
10,776.274286
false
[CIF] data_Cs2NpTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65434999 _cell_length_b 6.65434999 _cell_length_c 6.65434999 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2NpTe _chemical_formula_sum 'Cs2 Np1 Te1' _cell_volume 208.35403668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35266800 2.35266800 2.35266800 1 Cs Cs1 1 7.05800400 7.05800400 7.05800400 1 Np Np2 1 4.70533600 4.70533600 4.70533600 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cs2NpTe
Fm-3m
225
cubic
m-3m
5,024.245992
false
[CIF] data_Pa3Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40236190 _cell_length_b 4.40236190 _cell_length_c 4.40236190 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa3Co _chemical_formula_sum 'Pa3 Co1' _cell_volume 85.32125280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pa Pa1 1 2.20118095 2.20118095 0.00000000 1 Pa Pa2 1 2.20118095 0.00000000 2.20118095 1 Pa Pa3 1 0.00000000 2.20118095 2.20118095 1 [/CIF]
CoPa3
Pm-3m
221
cubic
m-3m
14,636.367203
false
[CIF] data_BeGa2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71144440 _cell_length_b 2.71144440 _cell_length_c 8.72874733 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.41747544 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGa2Si _chemical_formula_sum 'Be1 Ga2 Si1' _cell_volume 60.52306105 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.56649133 0.00000000 1.95175942 1 Ga Ga2 1 1.56649133 0.00000000 6.77698791 1 Si Si3 1 0.00000000 0.00000000 4.36437366 1 [/CIF]
BeGa2Si
Cmmm
65
orthorhombic
mmm
4,843.735195
false
[CIF] data_Li2ZrTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99024147 _cell_length_b 4.57635985 _cell_length_c 6.31065747 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.49266732 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZrTl _chemical_formula_sum 'Li2 Zr1 Tl1' _cell_volume 84.31306284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.21986672 2.28817993 0.20820318 1 Li Li1 1 1.18754356 0.00000000 1.46120733 1 Tl Tl2 1 2.04265119 2.28817993 3.03994415 1 Zr Zr3 1 0.48278980 0.00000000 4.53251202 1 [/CIF]
Li2TlZr
Pm
6
monoclinic
m
6,095.367147
false
[CIF] data_CaAlRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80261941 _cell_length_b 4.22630977 _cell_length_c 6.47383019 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.28341283 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAlRe2 _chemical_formula_sum 'Ca1 Al1 Re2' _cell_volume 75.44907861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06300233 0.00000000 2.83468247 1 Ca Ca1 1 0.56307980 2.11315489 4.78989834 1 Re Re2 1 0.23300767 0.00000000 0.43734019 1 Re Re3 1 1.01261225 2.11315489 1.49283826 1 [/CIF]
AlCaRe2
Pm
6
monoclinic
m
9,672.258337
false
[CIF] data_ZrNiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43571347 _cell_length_b 6.43571347 _cell_length_c 6.43571347 _cell_angle_alpha 152.20779923 _cell_angle_beta 152.20779923 _cell_angle_gamma 39.70992396 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNiCl _chemical_formula_sum 'Zr1 Ni1 Cl1' _cell_volume 57.84195455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.33118524 1 Ni Ni1 1 0.00000000 -0.00000000 3.65393064 1 Zr Zr2 1 0.00000000 0.00000000 8.12117419 1 [/CIF]
ClNiZr
I4mm
107
tetragonal
4mm
5,321.652655
false
[CIF] data_CuTcMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37554715 _cell_length_b 4.37554715 _cell_length_c 4.37554715 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTcMoW _chemical_formula_sum 'Cu1 Tc1 Mo1 W1' _cell_volume 59.23550645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.09397906 3.09397906 3.09397906 1 Tc Tc2 1 1.54698953 1.54698953 1.54698953 1 W W3 1 4.64096859 4.64096859 4.64096859 1 [/CIF]
CuMoTcW
F-43m
216
cubic
-43m
12,397.582117
false
[CIF] data_SrNbAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04187268 _cell_length_b 5.04187268 _cell_length_c 5.04187268 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbAg _chemical_formula_sum 'Sr1 Nb1 Ag1' _cell_volume 90.62763040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78257118 1.78257118 1.78257118 1 Nb Nb1 1 3.56514236 3.56514236 3.56514236 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgNbSr
F-43m
216
cubic
-43m
5,284.155225
false
[CIF] data_KMg3Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24733348 _cell_length_b 5.24733348 _cell_length_c 5.24733348 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMg3Zn _chemical_formula_sum 'K1 Mg3 Zn1' _cell_volume 144.48274910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.62366674 0.00000000 2.62366674 1 Mg Mg1 1 2.62366674 2.62366674 0.00000000 1 Mg Mg2 1 0.00000000 2.62366674 2.62366674 1 Zn Zn3 1 2.62366674 2.62366674 2.62366674 1 K K4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
KMg3Zn
Pm-3m
221
cubic
m-3m
2,038.779762
false
[CIF] data_TiCdIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22049048 _cell_length_b 4.30113533 _cell_length_c 6.23125596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCdIn2 _chemical_formula_sum 'Ti1 Cd1 In2' _cell_volume 86.31389560 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 3.11562798 1 In In1 1 1.61024524 2.15056767 4.76255223 1 In In2 1 1.61024524 2.15056767 1.46870373 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdIn2Ti
Pmmm
47
orthorhombic
mmm
7,501.311638
false
[CIF] data_LiBe4Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35809630 _cell_length_b 4.35809630 _cell_length_c 4.35809630 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBe4Zn _chemical_formula_sum 'Li1 Be4 Zn1' _cell_volume 58.52958855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.84897014 2.31430876 3.84897014 1 Be Be1 1 2.31430876 3.84897014 3.84897014 1 Be Be2 1 2.31430876 2.31430876 2.31430876 1 Be Be3 1 3.84897014 3.84897014 2.31430876 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 Zn Zn5 1 4.62245917 4.62245917 4.62245918 1 [/CIF]
Be4LiZn
F-43m
216
cubic
-43m
3,074.55035
false
[CIF] data_Cd2RhBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70847735 _cell_length_b 3.70847735 _cell_length_c 6.78453866 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2RhBr _chemical_formula_sum 'Cd2 Rh1 Br1' _cell_volume 93.30643215 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.31815127 1 Cd Cd1 1 1.85423867 1.85423867 0.08888268 1 Cd Cd2 1 0.00000000 0.00000000 2.04980703 1 Rh Rh3 1 1.85423867 1.85423867 2.71996701 1 [/CIF]
BrCd2Rh
P4mm
99
tetragonal
4mm
7,254.462687
false
[CIF] data_YBe2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33372244 _cell_length_b 4.33372244 _cell_length_c 4.00192334 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBe2Pb _chemical_formula_sum 'Y1 Be2 Pb1' _cell_volume 75.16072329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16686122 2.00096167 1 Be Be1 1 2.16686122 0.00000000 2.00096167 1 Pb Pb2 1 2.16686122 2.16686122 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2PbY
P4/mmm
123
tetragonal
4/mmm
6,940.134016
false
[CIF] data_Ga4CoNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95689779 _cell_length_b 4.95689779 _cell_length_c 4.95689779 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga4CoNi _chemical_formula_sum 'Ga4 Co1 Ni1' _cell_volume 86.12215603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 2.63018258 4.37992950 4.37992950 1 Ga Ga2 1 4.37992950 4.37992950 2.63018258 1 Ga Ga3 1 4.37992950 2.63018258 4.37992950 1 Ga Ga4 1 2.63018258 2.63018258 2.63018258 1 Ni Ni5 1 5.25758406 5.25758406 5.25758406 1 [/CIF]
CoGa4Ni
F-43m
216
cubic
-43m
7,645.356874
false
[CIF] data_ZnCr8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51717869 _cell_length_b 5.51717869 _cell_length_c 5.51717869 _cell_angle_alpha 97.98572070 _cell_angle_beta 97.98572070 _cell_angle_gamma 136.23205932 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCr8 _chemical_formula_sum 'Zn1 Cr8' _cell_volume 107.79874546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44338975 0.00000000 -0.00000000 1 Cr Cr1 1 4.79683770 0.00000000 -0.00000000 1 Cr Cr2 1 -0.00000000 2.44338975 -0.00000000 1 Cr Cr3 1 2.43754406 2.43754406 -0.00000000 1 Cr Cr4 1 1.18256966 -1.18256966 2.05640801 1 Cr Cr5 1 0.00000000 4.79683770 -0.00000000 1 Cr Cr6 1 -1.18256966 1.18256966 2.05640801 1 Cr Cr7 1 1.18256966 1.18256966 2.05640801 1 Zn Zn8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr8Zn
I4/mmm
139
tetragonal
4/mmm
7,414.729027
false
[CIF] data_LiSnIrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55444079 _cell_length_b 4.55444079 _cell_length_c 4.55444079 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSnIrAu _chemical_formula_sum 'Li1 Sn1 Ir1 Au1' _cell_volume 66.80211066 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.83071396 4.83071396 4.83071396 1 Ir Ir1 1 3.22047597 3.22047597 3.22047597 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 1.61023799 1.61023799 1.61023799 1 [/CIF]
AuIrLiSn
F-43m
216
cubic
-43m
12,797.543464
false
[CIF] data_ZrBeTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19145678 _cell_length_b 7.19145678 _cell_length_c 7.19145678 _cell_angle_alpha 25.43265638 _cell_angle_beta 25.43265638 _cell_angle_gamma 25.43265638 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBeTc2 _chemical_formula_sum 'Zr1 Be1 Tc2' _cell_volume 60.37735485 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 -0.00000000 0.00000000 5.62338805 1 Tc Tc2 1 0.00000000 0.00000000 15.24242770 1 Zr Zr3 1 -0.00000000 0.00000000 10.43290788 1 [/CIF]
BeTc2Zr
R-3m
166
trigonal
-3m
8,197.134764
false
[CIF] data_InTcBiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92080922 _cell_length_b 4.92080922 _cell_length_c 4.92080922 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTcBiAu _chemical_formula_sum 'In1 Tc1 Bi1 Au1' _cell_volume 84.25478719 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.21930636 5.21930636 5.21930636 1 Bi Bi1 1 1.73976879 1.73976879 1.73976879 1 In In2 1 3.47953757 3.47953757 3.47953757 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBiInTc
F-43m
216
cubic
-43m
12,212.815662
false
[CIF] data_Li2GaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44345366 _cell_length_b 3.44345366 _cell_length_c 5.79237782 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2GaSe _chemical_formula_sum 'Li2 Ga1 Se1' _cell_volume 68.68238494 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.72172683 1.72172683 1.64274922 1 Li Li2 1 1.72172683 1.72172683 4.14962860 1 Se Se3 1 0.00000000 0.00000000 2.89618891 1 [/CIF]
GaLi2Se
P4/mmm
123
tetragonal
4/mmm
3,930.34603
false
[CIF] data_PdRh2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39618870 _cell_length_b 5.39618870 _cell_length_c 2.88430529 _cell_angle_alpha 105.56262919 _cell_angle_beta 105.56262919 _cell_angle_gamma 119.19978609 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdRh2Se _chemical_formula_sum 'Pd1 Rh2 Se1' _cell_volume 62.16240286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.73066237 -0.00000000 0.00000000 1 Rh Rh1 1 1.36533118 -2.32714071 0.00000000 1 Rh Rh2 1 1.36533118 2.32714071 0.00000000 1 Se Se3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
PdRh2Se
C2/m
12
monoclinic
2/m
10,449.852452
false
[CIF] data_CsCe2Lu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11010545 _cell_length_b 6.11010545 _cell_length_c 6.11010545 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsCe2Lu _chemical_formula_sum 'Cs1 Ce2 Lu1' _cell_volume 161.29879368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 2.16024850 2.16024850 2.16024850 1 Ce Ce1 1 6.48074550 6.48074550 6.48074550 1 Cs Cs2 1 0.00000000 0.00000000 0.00000000 1 Lu Lu3 1 4.32049700 4.32049700 4.32049700 1 [/CIF]
Ce2CsLu
Fm-3m
225
cubic
m-3m
6,054.416547
false
[CIF] data_BeGePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31859094 _cell_length_b 4.31859094 _cell_length_c 4.31859094 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGePd2 _chemical_formula_sum 'Be1 Ge1 Pd2' _cell_volume 56.95229252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 1.52685247 1.52685247 1.52685247 1 Pd Pd2 1 3.05370494 3.05370494 3.05370494 1 Pd Pd3 1 4.58055741 4.58055741 4.58055741 1 [/CIF]
BeGePd2
F-43m
216
cubic
-43m
8,586.410684
false
[CIF] data_Sr2ErMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97574809 _cell_length_b 5.97574809 _cell_length_c 5.97574809 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ErMg _chemical_formula_sum 'Sr2 Er1 Mg1' _cell_volume 150.89048243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.22549200 4.22549200 4.22549200 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 2.11274600 2.11274600 2.11274600 1 Sr Sr3 1 6.33823800 6.33823800 6.33823800 1 [/CIF]
ErMgSr2
Fm-3m
225
cubic
m-3m
4,036.652027
false
[CIF] data_HfOs2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20859775 _cell_length_b 5.20859775 _cell_length_c 4.94817165 _cell_angle_alpha 105.20144098 _cell_angle_beta 105.20144098 _cell_angle_gamma 34.85488862 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfOs2Pb _chemical_formula_sum 'Hf1 Os2 Pb1' _cell_volume 73.76473511 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.01019678 -0.00000000 1.08144017 1 Os Os1 1 8.50691891 -0.00000000 4.60234871 1 Os Os2 1 1.53553501 -0.00000000 3.81361845 1 Pb Pb3 1 4.39513450 -0.00000000 2.39667542 1 [/CIF]
HfOs2Pb
Cm
8
monoclinic
m
17,247.021955
false
[CIF] data_La2MgCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07133797 _cell_length_b 5.07133797 _cell_length_c 5.07133797 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MgCo _chemical_formula_sum 'La2 Mg1 Co1' _cell_volume 92.22584979 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79298873 1.79298874 1.79298874 1 La La1 1 5.37896621 5.37896621 5.37896621 1 La La2 1 3.58597747 3.58597747 3.58597747 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoLa2Mg
F-43m
216
cubic
-43m
6,500.739164
false
[CIF] data_CaTaSnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06874443 _cell_length_b 5.06874443 _cell_length_c 5.06874443 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaSnHg _chemical_formula_sum 'Ca1 Ta1 Sn1 Hg1' _cell_volume 92.08442607 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 5.37621534 5.37621534 5.37621534 1 Sn Sn2 1 1.79207178 1.79207178 1.79207178 1 Ta Ta3 1 3.58414356 3.58414356 3.58414356 1 [/CIF]
CaHgSnTa
F-43m
216
cubic
-43m
9,743.582827
false
[CIF] data_Zn2RuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44715936 _cell_length_b 4.44715936 _cell_length_c 3.33919544 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2RuBr _chemical_formula_sum 'Zn2 Ru1 Br1' _cell_volume 66.04002412 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 2.22357968 2.22357968 0.00000000 1 Zn Zn2 1 2.22357968 0.00000000 1.66959772 1 Zn Zn3 1 0.00000000 2.22357968 1.66959772 1 [/CIF]
BrRuZn2
P4/mmm
123
tetragonal
4/mmm
7,838.375171
false
[CIF] data_TiBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47515051 _cell_length_b 4.47515051 _cell_length_c 4.47515051 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBiIr _chemical_formula_sum 'Ti1 Bi1 Ir1' _cell_volume 63.37353602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.74661391 4.74661391 4.74661391 1 Ir Ir1 1 1.58220464 1.58220464 1.58220464 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiIrTi
F-43m
216
cubic
-43m
11,766.567347
false
[CIF] data_MgZrSnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25984218 _cell_length_b 5.25984218 _cell_length_c 5.25984218 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZrSnBi _chemical_formula_sum 'Mg1 Zr1 Sn1 Bi1' _cell_volume 102.89710151 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.71927007 3.71927007 3.71927007 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 5.57890511 5.57890511 5.57890511 1 Zr Zr3 1 1.85963504 1.85963504 1.85963504 1 [/CIF]
BiMgSnZr
F-43m
216
cubic
-43m
7,152.612833
false
[CIF] data_BeMoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89930910 _cell_length_b 4.89930910 _cell_length_c 4.89930910 _cell_angle_alpha 138.05416542 _cell_angle_beta 138.05416542 _cell_angle_gamma 60.82005187 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeMoP2 _chemical_formula_sum 'Be1 Mo1 P2' _cell_volume 51.97253602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.75359316 0.00000000 2.11264359 1 P P2 1 -0.00000000 0.00000000 4.22528718 1 P P3 1 0.00000000 1.75359316 2.11264359 1 [/CIF]
BeMoP2
I-4m2
119
tetragonal
-42m
5,333.13773
false
[CIF] data_CdIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79969504 _cell_length_b 2.79969504 _cell_length_c 8.06197974 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdIr3 _chemical_formula_sum 'Cd1 Ir3' _cell_volume 63.19215386 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 0.00000000 0.00000000 4.03098987 1 Ir Ir2 1 1.39984752 1.39984752 2.19107607 1 Ir Ir3 1 1.39984752 1.39984752 5.87090367 1 [/CIF]
CdIr3
P4/mmm
123
tetragonal
4/mmm
18,106.905691
false
[CIF] data_ZrCo2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38016682 _cell_length_b 4.38016682 _cell_length_c 4.38016682 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCo2Au _chemical_formula_sum 'Zr1 Co2 Au1' _cell_volume 59.42332582 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09724566 3.09724566 3.09724566 1 Co Co1 1 1.54862283 1.54862283 1.54862283 1 Co Co2 1 4.64586849 4.64586849 4.64586849 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCo2Zr
Fm-3m
225
cubic
m-3m
11,346.948936
false
[CIF] data_YOs2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80835307 _cell_length_b 4.02758734 _cell_length_c 6.12728743 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YOs2Rh _chemical_formula_sum 'Y1 Os2 Rh1' _cell_volume 69.30505740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40417653 2.01379367 1.81864662 1 Os Os1 1 1.40417653 2.01379367 4.30864081 1 Rh Rh2 1 0.00000000 0.00000000 3.06364371 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2RhY
Pmmm
47
orthorhombic
mmm
13,711.538076
false
[CIF] data_HfTl2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90511953 _cell_length_b 4.90511953 _cell_length_c 4.90511953 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTl2Ir _chemical_formula_sum 'Hf1 Tl2 Ir1' _cell_volume 83.45143059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 Ir Ir1 1 1.73422164 1.73422164 1.73422164 1 Tl Tl2 1 3.46844328 3.46844328 3.46844328 1 Tl Tl3 1 5.20266492 5.20266492 5.20266492 1 [/CIF]
HfIrTl2
F-43m
216
cubic
-43m
15,510.17586
false
[CIF] data_HfAgRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07625629 _cell_length_b 4.07625629 _cell_length_c 3.87725908 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAgRu2 _chemical_formula_sum 'Hf1 Ag1 Ru2' _cell_volume 64.42401465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03812814 2.03812814 0.00000000 1 Ru Ru2 1 2.03812814 0.00000000 1.93862954 1 Ru Ru3 1 0.00000000 2.03812814 1.93862954 1 [/CIF]
AgHfRu2
P4/mmm
123
tetragonal
4/mmm
12,591.122093
false
[CIF] data_MnZn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69005414 _cell_length_b 3.82255578 _cell_length_c 5.57578970 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZn2W _chemical_formula_sum 'Mn1 Zn2 W1' _cell_volume 57.33518755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.85858360 1 W W1 1 1.34502707 1.91127789 4.08425592 1 Zn Zn2 1 0.00000000 0.00000000 0.05135425 1 Zn Zn3 1 1.34502707 1.91127789 1.36949078 1 [/CIF]
MnWZn2
Pmm2
25
orthorhombic
mm2
10,702.543875
false
[CIF] data_NbAlInPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03260692 _cell_length_b 5.03260692 _cell_length_c 5.03260692 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlInPb _chemical_formula_sum 'Nb1 Al1 In1 Pb1' _cell_volume 90.12889228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.77929524 1.77929524 1.77929524 1 Nb Nb2 1 3.55859048 3.55859048 3.55859048 1 Pb Pb3 1 5.33788572 5.33788572 5.33788572 1 [/CIF]
AlInNbPb
F-43m
216
cubic
-43m
8,141.695999
false
[CIF] data_MnNbCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24859333 _cell_length_b 3.24859333 _cell_length_c 6.96433723 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbCd2 _chemical_formula_sum 'Mn1 Nb1 Cd2' _cell_volume 73.49714836 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 6.88350530 1 Cd Cd1 1 1.62429666 1.62429666 1.90032618 1 Mn Mn2 1 0.00000000 0.00000000 3.75768365 1 Nb Nb3 1 1.62429666 1.62429666 4.86932788 1 [/CIF]
Cd2MnNb
P4mm
99
tetragonal
4mm
8,419.743776
false
[CIF] data_SrAsAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66860786 _cell_length_b 5.66860786 _cell_length_c 5.66860786 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAsAu4 _chemical_formula_sum 'Sr1 As1 Au4' _cell_volume 128.79952068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 5.00965456 5.00965456 3.00696756 1 Au Au2 1 5.00965456 3.00696756 5.00965456 1 Au Au3 1 3.00696756 5.00965456 5.00965456 1 Au Au4 1 3.00696756 3.00696756 3.00696756 1 Sr Sr5 1 6.01246659 6.01246659 6.01246659 1 [/CIF]
AsAu4Sr
F-43m
216
cubic
-43m
12,253.068948
false
[CIF] data_CaNiOsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53073874 _cell_length_b 4.53073874 _cell_length_c 4.53073874 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNiOsPt _chemical_formula_sum 'Ca1 Ni1 Os1 Pt1' _cell_volume 65.76458181 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 4.80557413 4.80557414 4.80557414 1 Os Os2 1 3.20371609 3.20371609 3.20371609 1 Pt Pt3 1 1.60185804 1.60185804 1.60185804 1 [/CIF]
CaNiOsPt
F-43m
216
cubic
-43m
12,223.033982
false
[CIF] data_Sb3Pd8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.27489054 _cell_length_b 15.27489054 _cell_length_c 15.27489054 _cell_angle_alpha 29.26525091 _cell_angle_beta 29.26525091 _cell_angle_gamma 29.26525091 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb3Pd8 _chemical_formula_sum 'Sb12 Pd32' _cell_volume 753.61745226 _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 Sb Sb0 1 -1.22348172 -2.33656615 25.56851396 1 Sb Sb1 1 -1.41178478 2.22784933 25.56851396 1 Sb Sb2 1 2.63526650 0.10871682 25.56851396 1 Sb Sb3 1 1.22348172 2.33656615 18.26322426 1 Sb Sb4 1 1.41178478 -2.22784933 18.26322426 1 Sb Sb5 1 -2.63526650 -0.10871682 18.26322426 1 Sb Sb6 1 0.00000000 0.00000000 36.97873362 1 Sb Sb7 1 -0.00000000 0.00000000 15.06286450 1 Sb Sb8 1 0.00000000 -0.00000000 21.91586911 1 Sb Sb9 1 0.00000000 0.00000000 0.00000000 1 Sb Sb10 1 0.00000000 0.00000000 6.85300461 1 Sb Sb11 1 -0.00000000 -0.00000000 28.76887372 1 Pd Pd12 1 1.01286353 -1.70844631 26.95653362 1 Pd Pd13 1 -1.98598967 -0.02294239 26.95653362 1 Pd Pd14 1 0.97312614 1.73138870 26.95653362 1 Pd Pd15 1 -0.97312614 -2.72430995 19.65124391 1 Pd Pd16 1 -1.87275856 2.20490693 19.65124391 1 Pd Pd17 1 2.84588470 0.51940302 19.65124391 1 Pd Pd18 1 0.00000000 -0.00000000 41.11973709 1 Pd Pd19 1 -0.00000000 0.00000000 19.20386797 1 Pd Pd20 1 0.00000000 -0.00000000 12.35156467 1 Pd Pd21 1 -0.00000000 0.00000000 34.26743379 1 Pd Pd22 1 1.87275856 -2.20490693 24.18049431 1 Pd Pd23 1 -2.84588470 -0.51940302 24.18049431 1 Pd Pd24 1 0.97312614 2.72430995 24.18049431 1 Pd Pd25 1 -0.97312614 -1.73138870 16.87520461 1 Pd Pd26 1 -1.01286353 1.70844631 16.87520461 1 Pd Pd27 1 1.98598967 0.02294239 16.87520461 1 Pd Pd28 1 0.00000000 -0.00000000 24.62787025 1 Pd Pd29 1 0.00000000 -0.00000000 2.71200114 1 Pd Pd30 1 0.00000000 -0.00000000 9.56430444 1 Pd Pd31 1 -0.00000000 0.00000000 31.48017355 1 Pd Pd32 1 -1.08557778 -2.25881420 22.69281589 1 Pd Pd33 1 -1.41340159 2.06954504 22.69281589 1 Pd Pd34 1 2.49897937 0.18926917 22.69281589 1 Pd Pd35 1 1.35976885 -2.03858016 29.99810560 1 Pd Pd36 1 -2.44534663 -0.15830429 29.99810560 1 Pd Pd37 1 1.08557778 2.19688445 29.99810560 1 Pd Pd38 1 1.41340159 -2.06954504 21.13892233 1 Pd Pd39 1 -2.49897937 -0.18926917 21.13892233 1 Pd Pd40 1 1.08557778 2.25881420 21.13892233 1 Pd Pd41 1 -1.08557778 -2.19688445 13.83363263 1 Pd Pd42 1 -1.35976885 2.03858016 13.83363263 1 Pd Pd43 1 2.44534663 0.15830429 13.83363263 1 [/CIF]
Pd32Sb12
R-3c
167
trigonal
-3m
10,723.096529
true
[CIF] data_Li2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16283058 _cell_length_b 7.16283058 _cell_length_c 4.37261732 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 157.47651478 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Pd _chemical_formula_sum 'Li4 Pd2' _cell_volume 85.93696395 _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 1.39883869 3.14188400 1.09315433 1 Li Li1 1 1.39883869 6.27946735 3.27946299 1 Li Li2 1 1.39883869 -6.27946735 1.09315433 1 Li Li3 1 1.39883869 -3.14188400 3.27946299 1 Pd Pd4 1 1.39883869 -1.59789315 1.09315433 1 Pd Pd5 1 1.39883869 1.59789315 3.27946299 1 [/CIF]
Li4Pd2
Cmcm
63
orthorhombic
mmm
4,649.132611
false
[CIF] data_YZnBiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99410330 _cell_length_b 4.99410330 _cell_length_c 4.99410330 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnBiMo _chemical_formula_sum 'Y1 Zn1 Bi1 Mo1' _cell_volume 88.07599661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.29704646 5.29704646 5.29704646 1 Mo Mo1 1 3.53136431 3.53136431 3.53136431 1 Y Y2 1 1.76568215 1.76568215 1.76568215 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiMoYZn
F-43m
216
cubic
-43m
8,658.013055
false
[CIF] data_VCdIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13151238 _cell_length_b 4.82304461 _cell_length_c 5.77060197 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.92163296 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCdIn2 _chemical_formula_sum 'V1 Cd1 In2' _cell_volume 86.95177458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.36842475 0.00000000 2.87854513 1 In In1 1 0.62510962 2.41152231 4.38918293 1 In In2 1 2.11173988 2.41152231 1.36790733 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdIn2V
P2/m
10
monoclinic
2/m
7,504.99642
false
[CIF] data_HgBi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69208438 _cell_length_b 5.69208438 _cell_length_c 3.52918256 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgBi2Br _chemical_formula_sum 'Hg1 Bi2 Br1' _cell_volume 114.34489589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.84604219 0.00000000 1.76459128 1 Bi Bi1 1 0.00000000 2.84604219 1.76459128 1 Br Br2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 2.84604219 2.84604219 0.00000000 1 [/CIF]
Bi2BrHg
P4/mmm
123
tetragonal
4/mmm
10,143.097973
false
[CIF] data_SrLiWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89875889 _cell_length_b 4.89875889 _cell_length_c 4.89875889 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiWAu _chemical_formula_sum 'Sr1 Li1 W1 Au1' _cell_volume 83.12720834 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73197282 1.73197282 1.73197282 1 Li Li1 1 0.00000000 -0.00000000 0.00000000 1 Sr Sr2 1 5.19591845 5.19591845 5.19591845 1 W W3 1 3.46394563 3.46394563 3.46394563 1 [/CIF]
AuLiSrW
F-43m
216
cubic
-43m
9,495.885103
false
[CIF] data_KYCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89177926 _cell_length_b 4.89177926 _cell_length_c 4.89177926 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYCo _chemical_formula_sum 'K1 Y1 Co1' _cell_volume 82.77240186 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 3.45901029 3.45901029 3.45901029 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.72950515 1.72950515 1.72950514 1 [/CIF]
CoKY
F-43m
216
cubic
-43m
3,750.244736
false
[CIF] data_Na2TaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12023654 _cell_length_b 5.12023654 _cell_length_c 5.12023654 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TaSb _chemical_formula_sum 'Na2 Ta1 Sb1' _cell_volume 94.91942012 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 1.81027699 1.81027699 1.81027699 1 Na Na1 1 5.43083097 5.43083097 5.43083097 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.62055398 3.62055398 3.62055398 1 [/CIF]
Na2SbTa
Fm-3m
225
cubic
m-3m
6,100.006509
false
[CIF] data_NbVNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62607936 _cell_length_b 3.76957204 _cell_length_c 3.81328053 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbVNi2 _chemical_formula_sum 'Nb1 V1 Ni2' _cell_volume 52.12284448 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81303968 1.88478602 0.00000000 1 Ni Ni1 1 1.81303968 0.00000000 1.90664027 1 Ni Ni2 1 0.00000000 1.88478602 1.90664027 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbNi2V
Pmmm
47
orthorhombic
mmm
8,322.461984
false
[CIF] data_BaRu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69756937 _cell_length_b 5.69756937 _cell_length_c 5.69756937 _cell_angle_alpha 141.14341188 _cell_angle_beta 115.54154944 _cell_angle_gamma 77.88443174 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaRu2Cl _chemical_formula_sum 'Ba1 Ru2 Cl1' _cell_volume 102.07539444 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.89516471 -0.00000000 4.31318746 1 Cl Cl1 1 0.00000000 0.00000000 1.69113685 1 Ru Ru2 1 0.00000000 3.03855836 4.31972067 1 Ru Ru3 1 0.00000000 -0.00000000 7.40178274 1 [/CIF]
BaClRu2
Imm2
44
orthorhombic
mm2
6,099.112428
false
[CIF] data_AlO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16538447 _cell_length_b 3.16538447 _cell_length_c 3.16538447 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlO _chemical_formula_sum 'Al1 O1' _cell_volume 22.42664993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 Al Al1 1 2.23826482 2.23826482 2.23826482 1 [/CIF]
AlO
Fm-3m
225
cubic
m-3m
3,182.442669
false
[CIF] data_NaTa2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57956848 _cell_length_b 4.57956848 _cell_length_c 4.57956848 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTa2Ru _chemical_formula_sum 'Na1 Ta2 Ru1' _cell_volume 67.91390072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 -0.00000000 -0.00000000 0.00000000 1 Ru Ru1 1 3.23824393 3.23824393 3.23824393 1 Ta Ta2 1 1.61912196 1.61912196 1.61912196 1 Ta Ta3 1 4.85736589 4.85736589 4.85736589 1 [/CIF]
NaRuTa2
Fm-3m
225
cubic
m-3m
11,882.012647
false
[CIF] data_BeZn2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62335554 _cell_length_b 3.62335554 _cell_length_c 5.93375508 _cell_angle_alpha 108.00492678 _cell_angle_beta 108.00492678 _cell_angle_gamma 40.99406153 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeZn2B _chemical_formula_sum 'Be1 Zn2 B1' _cell_volume 48.24001352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.77105009 -0.00000000 2.11999617 1 Be Be1 1 4.69891000 -0.00000000 2.08271657 1 Zn Zn2 1 6.61190033 0.00000000 0.27183261 1 Zn Zn3 1 -0.04917272 -0.00000000 3.92751214 1 [/CIF]
BBeZn2
Cm
8
monoclinic
m
5,183.440846
false
[CIF] data_GaAgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68755500 _cell_length_b 4.68755500 _cell_length_c 4.68755500 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAgSe _chemical_formula_sum 'Ga1 Ag1 Se1' _cell_volume 72.83231802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.31460193 3.31460193 3.31460193 1 Ga Ga1 1 0.00000000 -0.00000000 0.00000000 1 Se Se2 1 1.65730097 1.65730097 1.65730097 1 [/CIF]
AgGaSe
F-43m
216
cubic
-43m
5,849.234266
false
[CIF] data_GaRe2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81964001 _cell_length_b 4.20764622 _cell_length_c 5.33890714 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRe2Ag _chemical_formula_sum 'Ga1 Re2 Ag1' _cell_volume 63.34104860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.66945357 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.40982001 2.10382311 1.19838685 1 Re Re3 1 1.40982001 2.10382311 4.14052029 1 [/CIF]
AgGaRe2
Pmmm
47
orthorhombic
mmm
14,418.850676
false
[CIF] data_La2RePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48302964 _cell_length_b 3.48302964 _cell_length_c 9.25662369 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2RePb _chemical_formula_sum 'La2 Re1 Pb1' _cell_volume 112.29668839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.74151482 1.74151482 1.81715928 1 La La1 1 1.74151482 1.74151482 7.43946441 1 Pb Pb2 1 0.00000000 0.00000000 4.62831184 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2PbRe
P4/mmm
123
tetragonal
4/mmm
9,925.34711
false
[CIF] data_TaCrCuTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46003286 _cell_length_b 4.46003286 _cell_length_c 4.46003286 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCrCuTe _chemical_formula_sum 'Ta1 Cr1 Cu1 Te1' _cell_volume 62.73345070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57685974 1.57685974 1.57685974 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 4.73057922 4.73057922 4.73057922 1 Cu Cu3 1 3.15371948 3.15371948 3.15371948 1 [/CIF]
CrCuTaTe
F-43m
216
cubic
-43m
11,225.557844
false
[CIF] data_ZrAl2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05323338 _cell_length_b 3.05323338 _cell_length_c 7.12392968 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAl2Cr _chemical_formula_sum 'Zr1 Al2 Cr1' _cell_volume 66.41093999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52661669 1.52661669 5.62721720 1 Al Al1 1 1.52661669 1.52661669 1.49671248 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 3.56196484 1 [/CIF]
Al2CrZr
P4/mmm
123
tetragonal
4/mmm
4,930.367934
false
[CIF] data_ZrReBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.54444807 _cell_length_b 9.54444807 _cell_length_c 9.54444807 _cell_angle_alpha 20.25011078 _cell_angle_beta 20.25011078 _cell_angle_gamma 20.25011078 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrReBi2 _chemical_formula_sum 'Zr1 Re1 Bi2' _cell_volume 91.14434928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.78758775 1 Bi Bi1 1 -0.00000000 -0.00000000 21.24961472 1 Re Re2 1 0.00000000 -0.00000000 14.01860123 1 Zr Zr3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Bi2ReZr
R-3m
166
trigonal
-3m
12,669.191882
false
[CIF] data_VSbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88257124 _cell_length_b 3.88257124 _cell_length_c 3.88257124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSbO3 _chemical_formula_sum 'V1 Sb1 O3' _cell_volume 58.52727440 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1.94128562 1 O O1 1 0.00000000 1.94128562 0.00000000 1 O O2 1 1.94128562 0.00000000 0.00000000 1 Sb Sb3 1 1.94128562 1.94128562 1.94128562 1 V V4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
O3SbV
Pm-3m
221
cubic
m-3m
6,261.704096
false
[CIF] data_TaTiNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57588897 _cell_length_b 4.57588897 _cell_length_c 4.57588897 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiNiSn _chemical_formula_sum 'Ta1 Ti1 Ni1 Sn1' _cell_volume 67.75033334 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61782106 1.61782106 1.61782106 1 Sn Sn1 1 4.85346318 4.85346318 4.85346318 1 Ta Ta2 1 3.23564212 3.23564212 3.23564212 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NiSnTaTi
F-43m
216
cubic
-43m
9,956.280513
false
[CIF] data_FePd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15289120 _cell_length_b 5.15289120 _cell_length_c 5.15289120 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePd5 _chemical_formula_sum 'Fe1 Pd5' _cell_volume 96.74709205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 4.55445818 2.73283044 2.73283044 1 Pd Pd2 1 1.82182215 1.82182215 1.82182216 1 Pd Pd3 1 2.73283044 4.55445818 2.73283044 1 Pd Pd4 1 2.73283044 2.73283044 4.55445818 1 Pd Pd5 1 4.55445818 4.55445818 4.55445818 1 [/CIF]
FePd5
F-43m
216
cubic
-43m
10,091.31769
false
[CIF] data_CrCuSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77031110 _cell_length_b 4.29365240 _cell_length_c 4.84660704 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCuSb2 _chemical_formula_sum 'Cr1 Cu1 Sb2' _cell_volume 78.45883911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 0.00000000 2.14682620 2.42330352 1 Sb Sb2 1 1.88515555 2.14682620 0.00000000 1 Sb Sb3 1 1.88515555 0.00000000 2.42330352 1 [/CIF]
CrCuSb2
Pmmm
47
orthorhombic
mmm
7,599.355932
false
[CIF] data_Mg2NbRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78772914 _cell_length_b 2.78772914 _cell_length_c 9.43755265 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.49152800 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2NbRu _chemical_formula_sum 'Mg2 Nb1 Ru1' _cell_volume 69.14007122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60909277 -0.00000000 6.85691013 1 Mg Mg1 1 1.60909277 -0.00000000 2.58064252 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 0.00000000 0.00000000 4.71877633 1 [/CIF]
Mg2NbRu
Cmmm
65
orthorhombic
mmm
5,826.204022
false
[CIF] data_Hg2PtCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84294470 _cell_length_b 3.84294470 _cell_length_c 7.13099661 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2PtCl _chemical_formula_sum 'Hg2 Pt1 Cl1' _cell_volume 105.31215505 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.83964208 1 Hg Hg1 1 1.92147235 1.92147235 6.96659041 1 Hg Hg2 1 0.00000000 0.00000000 2.53597622 1 Pt Pt3 1 1.92147235 1.92147235 2.48528282 1 [/CIF]
ClHg2Pt
P4mm
99
tetragonal
4mm
9,960.775725
false
[CIF] data_VAgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80814198 _cell_length_b 3.79316733 _cell_length_c 5.78401414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VAgPt2 _chemical_formula_sum 'V1 Ag1 Pt2' _cell_volume 61.60988672 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.89200707 1 Pt Pt1 1 1.40407099 1.89658367 4.43316718 1 Pt Pt2 1 1.40407099 1.89658367 1.35084696 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgPt2V
Pmmm
47
orthorhombic
mmm
14,796.353146
false
[CIF] data_AsRhPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37845987 _cell_length_b 3.37845987 _cell_length_c 8.09380310 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsRhPb2 _chemical_formula_sum 'As1 Rh1 Pb2' _cell_volume 92.38259649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.51605809 1 Pb Pb1 1 1.68922994 1.68922994 7.72176602 1 Pb Pb2 1 0.00000000 0.00000000 2.45220688 1 Rh Rh3 1 1.68922994 1.68922994 4.54447668 1 [/CIF]
AsPb2Rh
P4mm
99
tetragonal
4mm
10,645.037845
false
[CIF] data_ZrNb2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63903101 _cell_length_b 5.63903101 _cell_length_c 5.63903101 _cell_angle_alpha 142.14022228 _cell_angle_beta 130.13430690 _cell_angle_gamma 64.27217373 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNb2Bi _chemical_formula_sum 'Zr1 Nb2 Bi1' _cell_volume 83.06118118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 4.77505849 1 Nb Nb1 1 1.82936317 0.00000000 2.31640857 1 Nb Nb2 1 0.00000000 2.37716586 2.45864992 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiNb2Zr
Immm
71
orthorhombic
mmm
9,716.337641
false
[CIF] data_Ta2TcIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77784354 _cell_length_b 2.77784354 _cell_length_c 8.55953509 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TcIr _chemical_formula_sum 'Ta2 Tc1 Ir1' _cell_volume 66.04892267 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38892177 1.38892177 6.26632368 1 Ta Ta1 1 0.00000000 0.00000000 8.42783021 1 Ta Ta2 1 1.38892177 1.38892177 2.21766161 1 Tc Tc3 1 0.00000000 0.00000000 4.48702231 1 [/CIF]
IrTa2Tc
P4mm
99
tetragonal
4mm
16,417.580339
false
[CIF] data_V2AgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90179272 _cell_length_b 4.90179272 _cell_length_c 4.71367591 _cell_angle_alpha 100.03753476 _cell_angle_beta 100.03753476 _cell_angle_gamma 32.78930639 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2AgPd _chemical_formula_sum 'V2 Ag1 Pd1' _cell_volume 60.31435909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.27429622 -0.00000000 2.31761461 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 6.83448679 -0.00000000 1.01436285 1 V V3 1 1.71410565 0.00000000 3.62086636 1 [/CIF]
AgPdV2
C2/m
12
monoclinic
2/m
8,704.637457
false
[CIF] data_MgGa2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36792154 _cell_length_b 3.36792154 _cell_length_c 5.67365753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGa2Ir _chemical_formula_sum 'Mg1 Ga2 Ir1' _cell_volume 64.35570446 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68396077 1.68396077 1.54464526 1 Ga Ga1 1 1.68396077 1.68396077 4.12901227 1 Ir Ir2 1 0.00000000 0.00000000 2.83682876 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2IrMg
P4/mmm
123
tetragonal
4/mmm
9,184.869863
false
[CIF] data_Ag2PbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34890292 _cell_length_b 8.34890292 _cell_length_c 8.34890292 _cell_angle_alpha 25.26624497 _cell_angle_beta 25.26624497 _cell_angle_gamma 25.26624497 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2PbCl _chemical_formula_sum 'Ag2 Pb1 Cl1' _cell_volume 93.30294003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 18.05039405 1 Ag Ag1 1 -0.00000000 0.00000000 6.18445210 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 12.11742307 1 [/CIF]
Ag2ClPb
R-3m
166
trigonal
-3m
8,158.087027
false
[CIF] data_HfInTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99913253 _cell_length_b 4.99913253 _cell_length_c 4.99913253 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfInTe _chemical_formula_sum 'Hf1 In1 Te1' _cell_volume 88.34235093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.30238076 5.30238077 5.30238077 1 In In1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.76746026 1.76746026 1.76746026 1 [/CIF]
HfInTe
F-43m
216
cubic
-43m
7,911.654717
false
[CIF] data_Zn2SiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18529529 _cell_length_b 3.18529529 _cell_length_c 7.58908330 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.90177851 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2SiSb _chemical_formula_sum 'Zn2 Si1 Sb1' _cell_volume 76.26854785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 2.09180152 -0.00000000 3.77999861 1 Si Si1 1 0.00000000 0.00000000 1.58101179 1 Zn Zn2 1 2.09180152 -0.00000000 0.04402268 1 Zn Zn3 1 0.00000000 0.00000000 5.97859179 1 [/CIF]
SbSiZn2
Cmm2
35
orthorhombic
mm2
6,109.417423
false
[CIF] data_K2LiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03017504 _cell_length_b 5.03017504 _cell_length_c 5.23441791 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LiGe _chemical_formula_sum 'K2 Li1 Ge1' _cell_volume 132.44470156 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 2.51508752 2.51508752 0.00000000 1 K K1 1 2.51508752 0.00000000 2.61720896 1 K K2 1 0.00000000 2.51508752 2.61720896 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeK2Li
P4/mmm
123
tetragonal
4/mmm
1,978.152886
false
[CIF] data_ZrTa2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15440904 _cell_length_b 3.15440904 _cell_length_c 7.09644003 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTa2Cr _chemical_formula_sum 'Zr1 Ta2 Cr1' _cell_volume 70.61168162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 1.57720452 1.57720452 1.48304207 1 Ta Ta2 1 1.57720452 1.57720452 5.61339796 1 Zr Zr3 1 0.00000000 0.00000000 3.54822002 1 [/CIF]
CrTa2Zr
P4/mmm
123
tetragonal
4/mmm
11,878.66308
false
[CIF] data_ZrTiMnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60544296 _cell_length_b 4.60544296 _cell_length_c 4.60544296 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiMnIn _chemical_formula_sum 'Zr1 Ti1 Mn1 In1' _cell_volume 69.07155392 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.88480992 4.88480993 4.88480993 1 Mn Mn1 1 3.25653995 3.25653995 3.25653995 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 1.62826998 1.62826998 1.62826998 1 [/CIF]
InMnTiZr
F-43m
216
cubic
-43m
7,424.946374
false
[CIF] data_YVCdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71585698 _cell_length_b 4.71585698 _cell_length_c 4.71585698 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YVCdTc _chemical_formula_sum 'Y1 V1 Cd1 Tc1' _cell_volume 74.15951468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33461445 3.33461445 3.33461445 1 Tc Tc1 1 1.66730723 1.66730723 1.66730723 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.00192168 5.00192168 5.00192168 1 [/CIF]
CdTcVY
F-43m
216
cubic
-43m
7,863.083471
false
[CIF] data_NiBiPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66422939 _cell_length_b 4.66422939 _cell_length_c 4.66422939 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiBiPtAu _chemical_formula_sum 'Ni1 Bi1 Pt1 Au1' _cell_volume 71.75046259 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.94716234 4.94716235 4.94716235 1 Bi Bi1 1 1.64905411 1.64905411 1.64905411 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 3.29810823 3.29810823 3.29810823 1 [/CIF]
AuBiNiPt
F-43m
216
cubic
-43m
15,268.167595
false
[CIF] data_ErAlAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81259421 _cell_length_b 4.81259421 _cell_length_c 4.81259421 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErAlAg2 _chemical_formula_sum 'Er1 Al1 Ag2' _cell_volume 78.81751434 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40301800 3.40301800 3.40301800 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Ag Ag2 1 5.10452700 5.10452700 5.10452700 1 Ag Ag3 1 1.70150900 1.70150900 1.70150900 1 [/CIF]
Ag2AlEr
Fm-3m
225
cubic
m-3m
8,637.454868
false
[CIF] data_Hf3InAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21227675 _cell_length_b 5.21227675 _cell_length_c 5.21227675 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3InAg _chemical_formula_sum 'Hf3 In1 Ag1' _cell_volume 141.60624302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.60613838 0.00000000 2.60613838 1 Hf Hf1 1 2.60613838 2.60613838 0.00000000 1 Hf Hf2 1 0.00000000 2.60613838 2.60613838 1 Ag Ag3 1 0.00000000 0.00000000 0.00000000 1 In In4 1 2.60613838 2.60613838 2.60613838 1 [/CIF]
AgHf3In
Pm-3m
221
cubic
m-3m
8,890.483653
false
[CIF] data_DyCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58124053 _cell_length_b 8.58124053 _cell_length_c 8.58124053 _cell_angle_alpha 33.55676870 _cell_angle_beta 33.55676870 _cell_angle_gamma 33.55676870 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyCo3 _chemical_formula_sum 'Dy3 Co9' _cell_volume 171.97708771 _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 Co Co0 1 0.00000000 -0.00000000 4.01081346 1 Co Co1 1 0.00000000 1.41868429 18.25422747 1 Co Co2 1 1.22861663 -0.70934214 18.25422747 1 Co Co3 1 -1.22861663 -0.70934214 18.25422747 1 Co Co4 1 0.00000000 -0.00000000 0.00000000 1 Co Co5 1 1.22861663 0.70934214 6.01723353 1 Co Co6 1 -1.22861663 0.70934214 6.01723353 1 Co Co7 1 0.00000000 -1.41868429 6.01723353 1 Co Co8 1 0.00000000 -0.00000000 20.26064754 1 Dy Dy9 1 0.00000000 0.00000000 12.13573050 1 Dy Dy10 1 0.00000000 -0.00000000 8.74883048 1 Dy Dy11 1 0.00000000 -0.00000000 15.52263052 1 [/CIF]
Co9Dy3
R-3m
166
trigonal
-3m
9,828.406115
false
[CIF] data_SrLa2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30439349 _cell_length_b 4.30439349 _cell_length_c 7.87642109 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLa2Sn _chemical_formula_sum 'Sr1 La2 Sn1' _cell_volume 145.93278080 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 2.15219674 2.15219674 2.40957041 1 La La1 1 2.15219674 2.15219674 5.46685068 1 Sn Sn2 1 0.00000000 0.00000000 3.93821055 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2SnSr
P4/mmm
123
tetragonal
4/mmm
5,508.940077
false
[CIF] data_Cd2GeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45922222 _cell_length_b 5.08482741 _cell_length_c 5.80212583 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.71272901 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2GeBi _chemical_formula_sum 'Cd2 Ge1 Bi1' _cell_volume 101.54990349 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.44083695 0.00000000 2.88665473 1 Cd Cd1 1 0.31250063 2.54241370 4.44391859 1 Cd Cd2 1 2.56917327 2.54241370 1.32939087 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCd2Ge
P2/m
10
monoclinic
2/m
8,281.321412
false
[CIF] data_VFeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75154900 _cell_length_b 3.75154900 _cell_length_c 3.75154900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFeO3 _chemical_formula_sum 'V1 Fe1 O3' _cell_volume 52.79975043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.87577450 1.87577450 1.87577450 1 O O1 1 1.87577450 1.87577450 0.00000000 1 O O2 1 0.00000000 1.87577450 1.87577450 1 O O3 1 1.87577450 0.00000000 1.87577450 1 V V4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeO3V
Pm-3m
221
cubic
m-3m
4,867.940457
false
[CIF] data_ReB2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81225187 _cell_length_b 2.81225187 _cell_length_c 5.50456947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReB2Pt _chemical_formula_sum 'Re1 B2 Pt1' _cell_volume 43.53432204 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40612594 1.40612594 1.11437103 1 B B1 1 1.40612594 1.40612594 4.39019844 1 Pt Pt2 1 0.00000000 0.00000000 2.75228473 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2PtRe
P4/mmm
123
tetragonal
4/mmm
15,368.397753
false
[CIF] data_Sc2CuBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35269093 _cell_length_b 3.35269093 _cell_length_c 7.88822658 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.58555211 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CuBi _chemical_formula_sum 'Sc2 Cu1 Bi1' _cell_volume 88.49433389 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.29538300 0.00000000 3.69695803 1 Cu Cu1 1 0.00000000 0.00000000 1.78679494 1 Sc Sc2 1 2.29538300 0.00000000 0.34891898 1 Sc Sc3 1 0.00000000 0.00000000 5.99966784 1 [/CIF]
BiCuSc2
Cmm2
35
orthorhombic
mm2
6,800.919378
false
[CIF] data_ZrInFeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61489574 _cell_length_b 4.61489574 _cell_length_c 4.61489574 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrInFeTc _chemical_formula_sum 'Zr1 In1 Fe1 Tc1' _cell_volume 69.49774014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.26322407 3.26322407 3.26322407 1 Tc Tc2 1 1.63161204 1.63161204 1.63161204 1 Zr Zr3 1 4.89483611 4.89483611 4.89483611 1 [/CIF]
FeInTcZr
F-43m
216
cubic
-43m
8,620.585393
false
[CIF] data_MgCdBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36621151 _cell_length_b 5.36621151 _cell_length_c 5.36621151 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCdBi2 _chemical_formula_sum 'Mg1 Cd1 Bi2' _cell_volume 109.26683466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.89724228 1.89724228 1.89724227 1 Bi Bi1 1 5.69172682 5.69172683 5.69172682 1 Cd Cd2 1 3.79448455 3.79448455 3.79448455 1 Mg Mg3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Bi2CdMg
Fm-3m
225
cubic
m-3m
8,429.47907
false
[CIF] data_Be2NiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27356992 _cell_length_b 4.27356992 _cell_length_c 4.27356992 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2NiPb _chemical_formula_sum 'Be2 Ni1 Pb1' _cell_volume 55.18962506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 1.51093513 1.51093513 1.51093513 1 Ni Ni2 1 3.02187027 3.02187027 3.02187027 1 Pb Pb3 1 4.53280540 4.53280540 4.53280541 1 [/CIF]
Be2NiPb
F-43m
216
cubic
-43m
8,542.484902
false
[CIF] data_BW2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41739562 _cell_length_b 4.41739562 _cell_length_c 4.41739562 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BW2Br _chemical_formula_sum 'B1 W2 Br1' _cell_volume 60.95142894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 1.56178520 1.56178520 1.56178520 1 W W2 1 3.12357040 3.12357040 3.12357040 1 W W3 1 4.68535560 4.68535560 4.68535560 1 [/CIF]
BBrW2
F-43m
216
cubic
-43m
12,488.350457
false
[CIF] data_Sc4InFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63044279 _cell_length_b 5.63044279 _cell_length_c 5.63044279 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4InFe _chemical_formula_sum 'Sc4 In1 Fe1' _cell_volume 126.21548863 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.99066214 1.99066214 1.99066214 1 Sc Sc2 1 4.98856893 2.97407963 2.97407963 1 Sc Sc3 1 2.97407963 2.97407963 4.98856893 1 Sc Sc4 1 2.97407963 4.98856893 2.97407963 1 Sc Sc5 1 4.98856893 4.98856893 4.98856893 1 [/CIF]
FeInSc4
F-43m
216
cubic
-43m
4,611.135904
false
[CIF] data_VZnSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73634073 _cell_length_b 3.73634073 _cell_length_c 5.59069845 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnSn2 _chemical_formula_sum 'V1 Zn1 Sn2' _cell_volume 78.04750359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 5.43619134 1 Sn Sn1 1 1.86817037 1.86817037 1.60451357 1 V V2 1 0.00000000 0.00000000 2.71422478 1 Zn Zn3 1 1.86817037 1.86817037 4.22181644 1 [/CIF]
Sn2VZn
P4mm
99
tetragonal
4mm
7,526.216717
false
[CIF] data_YMg2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04318724 _cell_length_b 3.04318724 _cell_length_c 9.62485089 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.81907921 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMg2Mo _chemical_formula_sum 'Y1 Mg2 Mo1' _cell_volume 87.82990086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95980121 0.00000000 9.50254319 1 Mg Mg1 1 0.00000000 0.00000000 7.01028180 1 Mo Mo2 1 1.95980121 0.00000000 4.90169055 1 Y Y3 1 0.00000000 0.00000000 2.64761168 1 [/CIF]
Mg2MoY
Cmm2
35
orthorhombic
mm2
4,414.16609
false
[CIF] data_Ca2MoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93043395 _cell_length_b 5.93043395 _cell_length_c 5.93043395 _cell_angle_alpha 143.68750548 _cell_angle_beta 128.54991718 _cell_angle_gamma 64.59617830 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2MoRh _chemical_formula_sum 'Ca2 Mo1 Rh1' _cell_volume 95.38344490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.76957484 1 Ca Ca1 1 1.84797897 -0.00000000 2.59409021 1 Mo Mo2 1 -0.00000000 0.00000000 5.57983164 1 Rh Rh3 1 0.00000000 2.57412184 2.10800383 1 [/CIF]
Ca2MoRh
Imm2
44
orthorhombic
mm2
4,857.526526
false
[CIF] data_SiGeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93305279 _cell_length_b 2.93305279 _cell_length_c 6.70886353 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiGeMo2 _chemical_formula_sum 'Si1 Ge1 Mo2' _cell_volume 57.71500225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 3.35443176 1 Mo Mo1 1 1.46652640 1.46652640 5.12973774 1 Mo Mo2 1 1.46652640 1.46652640 1.57912579 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeMo2Si
P4/mmm
123
tetragonal
4/mmm
8,419.808828
false
[CIF] data_BaNbZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43702144 _cell_length_b 5.43702144 _cell_length_c 3.02159339 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.69536604 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNbZn2 _chemical_formula_sum 'Ba1 Nb1 Zn2' _cell_volume 88.29527731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.54204135 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.77102068 2.06247093 1.51079669 1 Zn Zn3 1 1.77102067 -2.06247092 1.51079669 1 [/CIF]
BaNbZn2
Cmmm
65
orthorhombic
mmm
6,789.078969
false
[CIF] data_KHf2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49039211 _cell_length_b 6.49039211 _cell_length_c 2.91509444 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 126.07243864 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHf2Ag _chemical_formula_sum 'K1 Hf2 Ag1' _cell_volume 99.25506704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.94292008 0.00000000 0.00000000 1 Hf Hf1 1 1.47146004 -2.89242161 1.45754722 1 Hf Hf2 1 1.47146004 2.89242161 1.45754722 1 K K3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
AgHf2K
Cmmm
65
orthorhombic
mmm
8,431.034059
false
[CIF] data_NiSnRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74397691 _cell_length_b 4.74397691 _cell_length_c 4.74397691 _cell_angle_alpha 131.42407948 _cell_angle_beta 131.42407948 _cell_angle_gamma 71.14016594 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSnRu2 _chemical_formula_sum 'Ni1 Sn1 Ru2' _cell_volume 58.77057723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 0.00000000 1.95130602 1.92938634 1 Ru Ru2 1 0.00000000 -0.00000000 3.85877267 1 Sn Sn3 1 1.95130602 0.00000000 1.92938634 1 [/CIF]
NiRu2Sn
I-4m2
119
tetragonal
-42m
10,723.926968
false