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_NbCu2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31107669 _cell_length_b 4.31107669 _cell_length_c 4.31107669 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCu2P _chemical_formula_sum 'Nb1 Cu2 P1' _cell_volume 56.65552226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.52419578 1.52419578 1.52419578 1 Cu Cu1 1 4.57258734 4.57258734 4.57258734 1 Nb Nb2 1 3.04839156 3.04839156 3.04839156 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2NbP
Fm-3m
225
cubic
m-3m
7,355.841581
false
[CIF] data_BaCr2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27295234 _cell_length_b 3.27295234 _cell_length_c 8.16514703 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCr2Br _chemical_formula_sum 'Ba1 Cr2 Br1' _cell_volume 87.46682698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63647617 1.63647617 3.98477424 1 Br Br1 1 0.00000000 0.00000000 6.35860049 1 Cr Cr2 1 1.63647617 1.63647617 0.55961672 1 Cr Cr3 1 0.00000000 0.00000000 1.34472909 1 [/CIF]
BaBrCr2
P4mm
99
tetragonal
4mm
6,098.353983
false
[CIF] data_CaNb2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76583901 _cell_length_b 4.76583901 _cell_length_c 4.76583901 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNb2Zn _chemical_formula_sum 'Ca1 Nb2 Zn1' _cell_volume 76.54258141 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 5.05493562 5.05493562 5.05493562 1 Nb Nb2 1 1.68497854 1.68497854 1.68497854 1 Zn Zn3 1 3.36995708 3.36995708 3.36995708 1 [/CIF]
CaNb2Zn
Fm-3m
225
cubic
m-3m
6,318.920358
false
[CIF] data_Mg2TiTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44303130 _cell_length_b 5.44303130 _cell_length_c 5.44303130 _cell_angle_alpha 142.88000814 _cell_angle_beta 134.85035306 _cell_angle_gamma 59.82578561 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TiTc _chemical_formula_sum 'Mg2 Ti1 Tc1' _cell_volume 68.31770029 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73250324 0.00000000 2.47325350 1 Mg Mg1 1 -0.00000000 2.08952319 2.24468198 1 Tc Tc2 1 0.00000000 0.00000000 4.71793547 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2TcTi
Immm
71
orthorhombic
mmm
4,749.046496
false
[CIF] data_NbSiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40513670 _cell_length_b 3.59462789 _cell_length_c 5.03236035 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSiP2 _chemical_formula_sum 'Nb1 Si1 P2' _cell_volume 61.59709389 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 1.79731394 2.51618018 1 P P1 1 1.70256835 1.79731394 0.00000000 1 P P2 1 1.70256835 0.00000000 2.51618018 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbP2Si
Pmmm
47
orthorhombic
mmm
4,931.694143
false
[CIF] data_NaCaCuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91148856 _cell_length_b 4.91148856 _cell_length_c 4.91148856 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaCuW _chemical_formula_sum 'Na1 Ca1 Cu1 W1' _cell_volume 83.77692465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.20942031 5.20942031 5.20942031 1 Cu Cu1 1 1.73647344 1.73647344 1.73647344 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.47294687 3.47294687 3.47294687 1 [/CIF]
CaCuNaW
F-43m
216
cubic
-43m
6,153.491721
false
[CIF] data_Ca2GeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59137648 _cell_length_b 5.59137648 _cell_length_c 3.62518246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.20157882 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2GeBi _chemical_formula_sum 'Ca2 Ge1 Bi1' _cell_volume 110.77560984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51111792 0.00000000 0.00000000 1 Ca Ca1 1 1.75555896 2.17574940 1.81259123 1 Ca Ca2 1 1.75555896 -2.17574940 1.81259123 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCa2Ge
Cmmm
65
orthorhombic
mmm
5,423.194552
false
[CIF] data_ScW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88556210 _cell_length_b 2.88556210 _cell_length_c 7.36031296 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScW2 _chemical_formula_sum 'Sc1 W2' _cell_volume 53.07472636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 1.44278105 0.83299003 2.50500192 1 W W2 1 0.00000000 1.66598006 4.85531104 1 [/CIF]
ScW2
P-3m1
164
trigonal
-3m
12,910.062833
false
[CIF] data_Li(HfFe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17386334 _cell_length_b 7.17386334 _cell_length_c 7.17386334 _cell_angle_alpha 151.43380610 _cell_angle_beta 151.43380610 _cell_angle_gamma 40.84071576 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li(HfFe)2 _chemical_formula_sum 'Li1 Hf2 Fe2' _cell_volume 84.23967138 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 -0.00000000 1.76988627 3.36152199 1 Fe Fe1 1 1.76988627 -0.00000000 3.36152199 1 Hf Hf2 1 -0.00000000 -0.00000000 8.25604309 1 Hf Hf3 1 0.00000000 0.00000000 5.19004487 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2Hf2Li
I4/mmm
139
tetragonal
4/mmm
9,375.281658
false
[CIF] data_BaSc2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.42006710 _cell_length_b 10.42006710 _cell_length_c 10.42006710 _cell_angle_alpha 19.01043797 _cell_angle_beta 19.01043797 _cell_angle_gamma 19.01043797 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSc2Tc _chemical_formula_sum 'Ba1 Sc2 Tc1' _cell_volume 104.91814052 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 -0.00000000 0.00000000 15.34331041 1 Sc Sc1 1 -0.00000000 0.00000000 8.41021404 1 Sc Sc2 1 -0.00000000 -0.00000000 22.27640677 1 Tc Tc3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
BaSc2Tc
R-3m
166
trigonal
-3m
5,161.896226
false
[CIF] data_SrTlCrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84673380 _cell_length_b 4.84673380 _cell_length_c 4.84673380 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlCrRe _chemical_formula_sum 'Sr1 Tl1 Cr1 Re1' _cell_volume 80.50678906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 5.14073751 5.14073751 5.14073751 1 Sr Sr2 1 3.42715834 3.42715834 3.42715834 1 Tl Tl3 1 1.71357917 1.71357917 1.71357917 1 [/CIF]
CrReSrTl
F-43m
216
cubic
-43m
10,936.076954
false
[CIF] data_BaCdAgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45220015 _cell_length_b 5.45220015 _cell_length_c 5.45220015 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCdAgSn _chemical_formula_sum 'Ba1 Cd1 Ag1 Sn1' _cell_volume 114.60415777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 5.78293155 5.78293155 5.78293155 1 Cd Cd2 1 1.92764385 1.92764385 1.92764385 1 Sn Sn3 1 3.85528770 3.85528770 3.85528770 1 [/CIF]
AgBaCdSn
F-43m
216
cubic
-43m
6,901.509278
false
[CIF] data_YNbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24754665 _cell_length_b 3.24754665 _cell_length_c 8.30841057 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbCl2 _chemical_formula_sum 'Y1 Nb1 Cl2' _cell_volume 87.62514403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.62377332 1.62377332 8.01549257 1 Cl Cl1 1 0.00000000 0.00000000 2.56146021 1 Nb Nb2 1 1.62377332 1.62377332 3.90772972 1 Y Y3 1 0.00000000 0.00000000 6.28634400 1 [/CIF]
Cl2NbY
P4mm
99
tetragonal
4mm
4,789.134531
false
[CIF] data_Sn2SeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78530241 _cell_length_b 4.81533182 _cell_length_c 6.30042151 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2SeCl _chemical_formula_sum 'Sn2 Se1 Cl1' _cell_volume 114.84085207 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.58121522 1 Se Se1 1 1.89265121 2.40766591 5.18971718 1 Sn Sn2 1 0.00000000 0.00000000 5.51725423 1 Sn Sn3 1 1.89265121 2.40766591 2.46286722 1 [/CIF]
ClSeSn2
Pmm2
25
orthorhombic
mm2
5,087.32242
false
[CIF] data_Sc2CdSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93352360 _cell_length_b 4.04581445 _cell_length_c 5.72029215 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CdSe _chemical_formula_sum 'Sc2 Cd1 Se1' _cell_volume 91.03448323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96676180 2.02290722 4.91202980 1 Sc Sc1 1 0.00000000 0.00000000 5.11548795 1 Sc Sc2 1 1.96676180 2.02290722 2.06539111 1 Se Se3 1 0.00000000 0.00000000 2.20782152 1 [/CIF]
CdSc2Se
Pmm2
25
orthorhombic
mm2
5,130.815285
false
[CIF] data_CoSi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58273588 _cell_length_b 3.74872985 _cell_length_c 4.90862508 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSi2Sb _chemical_formula_sum 'Co1 Si2 Sb1' _cell_volume 65.92631474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79136794 0.00000000 2.45431254 1 Sb Sb1 1 0.00000000 1.87436493 2.45431254 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 1.79136794 1.87436493 0.00000000 1 [/CIF]
CoSbSi2
Pmmm
47
orthorhombic
mmm
5,966.08882
false
[CIF] data_Re2BiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17704278 _cell_length_b 3.17704278 _cell_length_c 9.06994502 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.07947327 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2BiTe _chemical_formula_sum 'Re2 Bi1 Te1' _cell_volume 80.77275033 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.53497251 1 Re Re1 1 1.63440893 0.00000000 6.94257454 1 Re Re2 1 1.63440893 0.00000000 2.12737048 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiRe2Te
Cmmm
65
orthorhombic
mmm
14,575.619802
false
[CIF] data_KCuSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06151236 _cell_length_b 5.06151236 _cell_length_c 5.06151236 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCuSb _chemical_formula_sum 'K1 Cu1 Sb1' _cell_volume 91.69083047 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57902971 3.57902971 3.57902971 1 K K1 1 0.00000000 -0.00000000 0.00000000 1 Sb Sb2 1 5.36854457 5.36854457 5.36854457 1 [/CIF]
CuKSb
F-43m
216
cubic
-43m
4,064.006236
false
[CIF] data_KMgScHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33176390 _cell_length_b 5.33176390 _cell_length_c 5.33176390 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgScHg _chemical_formula_sum 'K1 Mg1 Sc1 Hg1' _cell_volume 107.17604628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.65518962 5.65518962 5.65518961 1 K K1 1 3.77012641 3.77012641 3.77012641 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 1.88506321 1.88506321 1.88506321 1 [/CIF]
HgKMgSc
F-43m
216
cubic
-43m
4,786.724776
false
[CIF] data_CaHfBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97711072 _cell_length_b 4.97711072 _cell_length_c 4.97711072 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfBiIr _chemical_formula_sum 'Ca1 Hf1 Bi1 Ir1' _cell_volume 87.18000873 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75967437 1.75967437 1.75967437 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 5.27902311 5.27902311 5.27902311 1 Ir Ir3 1 3.51934874 3.51934874 3.51934874 1 [/CIF]
BiCaHfIr
F-43m
216
cubic
-43m
11,804.823994
false
[CIF] data_SiGeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68423013 _cell_length_b 4.68423013 _cell_length_c 4.68423013 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiGeAs2 _chemical_formula_sum 'Si1 Ge1 As2' _cell_volume 72.67744850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65612545 1.65612544 1.65612545 1 As As1 1 3.31225089 3.31225089 3.31225089 1 Ge Ge2 1 4.96837634 4.96837634 4.96837634 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2GeSi
F-43m
216
cubic
-43m
5,725.009942
false
[CIF] data_ZrBiPdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75421028 _cell_length_b 4.75421028 _cell_length_c 4.75421028 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBiPdRh _chemical_formula_sum 'Zr1 Bi1 Pd1 Rh1' _cell_volume 75.98365200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68086716 1.68086716 1.68086716 1 Pd Pd1 1 5.04260149 5.04260149 5.04260150 1 Rh Rh2 1 3.36173433 3.36173433 3.36173433 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiPdRhZr
F-43m
216
cubic
-43m
11,135.21504
false
[CIF] data_Bi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49876598 _cell_length_b 5.49876598 _cell_length_c 3.24277631 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2As _chemical_formula_sum 'Bi2 As1' _cell_volume 84.91376505 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 -0.00000000 3.17471402 1.51622962 1 Bi Bi2 1 2.74938299 1.58735701 1.72654669 1 [/CIF]
AsBi2
P-3m1
164
trigonal
-3m
9,638.607829
false
[CIF] data_TiTcSnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80009191 _cell_length_b 4.80009191 _cell_length_c 4.80009191 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTcSnBi _chemical_formula_sum 'Ti1 Tc1 Sn1 Bi1' _cell_volume 78.20484536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69708877 1.69708877 1.69708877 1 Sn Sn1 1 5.09126631 5.09126631 5.09126631 1 Tc Tc2 1 3.39417754 3.39417754 3.39417754 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiSnTcTi
F-43m
216
cubic
-43m
10,074.380172
false
[CIF] data_CaAl2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38545939 _cell_length_b 4.38545939 _cell_length_c 4.50748917 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAl2Hg _chemical_formula_sum 'Ca1 Al2 Hg1' _cell_volume 86.68917671 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19272969 0.00000000 2.25374459 1 Al Al1 1 0.00000000 2.19272969 2.25374459 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 2.19272969 2.19272969 0.00000000 1 [/CIF]
Al2CaHg
P4/mmm
123
tetragonal
4/mmm
5,643.685161
false
[CIF] data_TiRuAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82477224 _cell_length_b 4.82477224 _cell_length_c 4.82477224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiRuAu3 _chemical_formula_sum 'Ti1 Ru1 Au3' _cell_volume 112.31310919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 2.41238612 2.41238612 2.41238612 1 Au Au1 1 0.00000000 2.41238612 0.00000000 1 Au Au2 1 0.00000000 0.00000000 2.41238612 1 Au Au3 1 2.41238612 0.00000000 0.00000000 1 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au3RuTi
Pm-3m
221
cubic
m-3m
10,938.418175
false
[CIF] data_CrCuPW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21465024 _cell_length_b 4.21465024 _cell_length_c 4.21465024 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCuPW _chemical_formula_sum 'Cr1 Cu1 P1 W1' _cell_volume 52.93825510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.98020777 2.98020777 2.98020777 1 W W1 1 1.49010388 1.49010388 1.49010388 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Cu Cu3 1 4.47031165 4.47031165 4.47031165 1 [/CIF]
CrCuPW
F-43m
216
cubic
-43m
10,362.427204
false
[CIF] data_BaTlBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63330301 _cell_length_b 6.63330301 _cell_length_c 6.63330301 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTlBr4 _chemical_formula_sum 'Ba1 Tl1 Br4' _cell_volume 206.38328046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Br Br1 1 3.51637129 5.86453579 5.86453579 1 Br Br2 1 5.86453579 5.86453579 3.51637129 1 Br Br3 1 5.86453579 3.51637129 5.86453579 1 Br Br4 1 3.51637129 3.51637129 3.51637129 1 Tl Tl5 1 7.03568031 7.03568031 7.03568031 1 [/CIF]
BaBr4Tl
F-43m
216
cubic
-43m
5,320.964734
false
[CIF] data_LiTcBiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55126412 _cell_length_b 4.55126412 _cell_length_c 4.55126412 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTcBiRu _chemical_formula_sum 'Li1 Tc1 Bi1 Ru1' _cell_volume 66.66242671 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60911486 1.60911486 1.60911486 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 3.21822972 3.21822972 3.21822972 1 Tc Tc3 1 4.82734458 4.82734458 4.82734458 1 [/CIF]
BiLiRuTc
F-43m
216
cubic
-43m
10,359.872069
false
[CIF] data_SrZnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05286680 _cell_length_b 6.02016173 _cell_length_c 3.47795168 _cell_angle_alpha 73.77383714 _cell_angle_beta 72.74193369 _cell_angle_gamma 33.48422917 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnCu _chemical_formula_sum 'Sr1 Zn1 Cu1' _cell_volume 66.64891254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41881156 2.49909954 10.54690034 1 Sr Sr1 1 2.41881156 2.49909954 7.34097029 1 Zn Zn2 1 2.41881156 2.49909954 4.16359568 1 [/CIF]
CuSrZn
Fmm2
42
orthorhombic
mm2
5,395.183192
false
[CIF] data_K2HgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77220690 _cell_length_b 5.77220690 _cell_length_c 3.75868880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2HgP _chemical_formula_sum 'K2 Hg1 P1' _cell_volume 125.23339354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.88610345 2.88610345 0.00000000 1 K K1 1 2.88610345 0.00000000 1.87934440 1 K K2 1 0.00000000 2.88610345 1.87934440 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgK2P
P4/mmm
123
tetragonal
4/mmm
4,107.284866
false
[CIF] data_AlV2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98796052 _cell_length_b 4.98796052 _cell_length_c 4.98796052 _cell_angle_alpha 139.95674487 _cell_angle_beta 124.60491341 _cell_angle_gamma 70.52027396 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlV2Te _chemical_formula_sum 'Al1 V2 Te1' _cell_volume 64.50270607 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 0.00000000 0.00000000 4.07286645 1 V V2 1 1.70775212 -0.00000000 1.99768666 1 V V3 1 0.00000000 2.31842441 2.07517979 1 [/CIF]
AlTeV2
Immm
71
orthorhombic
mmm
6,602.349134
false
[CIF] data_HfNbSnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69389909 _cell_length_b 4.69389909 _cell_length_c 4.69389909 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNbSnOs _chemical_formula_sum 'Hf1 Nb1 Sn1 Os1' _cell_volume 73.12842986 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31908788 3.31908788 3.31908788 1 Hf Hf1 1 1.65954394 1.65954394 1.65954394 1 Nb Nb2 1 -0.00000000 -0.00000000 0.00000000 1 Os Os3 1 4.97863182 4.97863182 4.97863182 1 [/CIF]
HfNbOsSn
F-43m
216
cubic
-43m
13,177.791901
false
[CIF] data_Nd2VFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08642255 _cell_length_b 5.08642255 _cell_length_c 5.08642255 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2VFe _chemical_formula_sum 'Nd2 V1 Fe1' _cell_volume 93.05127117 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.59664388 3.59664388 3.59664388 1 Nd Nd1 1 1.79832194 1.79832194 1.79832194 1 Nd Nd2 1 5.39496582 5.39496582 5.39496582 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeNd2V
Fm-3m
225
cubic
m-3m
7,053.768303
false
[CIF] data_TeI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43906130 _cell_length_b 8.43906130 _cell_length_c 12.62066752 _cell_angle_alpha 128.24236959 _cell_angle_beta 128.24236959 _cell_angle_gamma 29.18104853 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeI _chemical_formula_sum 'Te4 I4' _cell_volume 336.86973905 _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 I I0 1 1.21828911 0.00000000 7.86732261 1 I I1 1 6.30890549 0.00000000 5.48322709 1 I I2 1 1.95252540 0.00000000 4.21820704 1 I I3 1 7.04314177 -0.00000000 1.83411152 1 Te Te4 1 5.53956060 0.00000000 8.17187624 1 Te Te5 1 -4.68270818 0.00000000 7.98084977 1 Te Te6 1 12.94413906 -0.00000000 1.72058437 1 Te Te7 1 2.72187028 0.00000000 1.52955789 1 [/CIF]
I4Te4
C2/m
12
monoclinic
2/m
5,018.136877
false
[CIF] data_HfMnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55789422 _cell_length_b 3.55789422 _cell_length_c 6.97671762 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnTe2 _chemical_formula_sum 'Hf1 Mn1 Te2' _cell_volume 88.31555637 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.48835881 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.77894711 1.77894711 1.78269786 1 Te Te3 1 1.77894711 1.77894711 5.19401976 1 [/CIF]
HfMnTe2
P4/mmm
123
tetragonal
4/mmm
9,187.350351
false
[CIF] data_AlIn3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80824021 _cell_length_b 4.80824021 _cell_length_c 4.80824021 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlIn3O _chemical_formula_sum 'Al1 In3 O1' _cell_volume 111.16254165 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40412011 2.40412011 2.40412011 1 O O1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 0.00000000 2.40412011 0.00000000 1 In In3 1 0.00000000 0.00000000 2.40412011 1 In In4 1 2.40412011 0.00000000 0.00000000 1 [/CIF]
AlIn3O
Pm-3m
221
cubic
m-3m
5,787.478783
false
[CIF] data_ZnAuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21063563 _cell_length_b 4.21063563 _cell_length_c 4.23009008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAuBr _chemical_formula_sum 'Zn1 Au1 Br1' _cell_volume 64.94946378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.10531784 1.21550580 4.00632741 1 Br Br1 1 0.00000002 2.43101160 1.40159665 1 Zn Zn2 1 0.00000000 0.00000000 3.05225610 1 [/CIF]
AuBrZn
P3m1
156
trigonal
3m
8,750.194482
false
[CIF] data_Tl2TcGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64782485 _cell_length_b 5.64782485 _cell_length_c 3.24716685 _cell_angle_alpha 100.97170016 _cell_angle_beta 100.97170016 _cell_angle_gamma 115.48485662 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2TcGe _chemical_formula_sum 'Tl2 Tc1 Ge1' _cell_volume 87.35290372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Tc Tc1 1 3.01439252 0.00000000 0.00000000 1 Tl Tl2 1 0.92823453 -2.38806215 1.51684754 1 Tl Tl3 1 0.92823453 2.38806215 1.51684754 1 [/CIF]
GeTcTl2
C2/m
12
monoclinic
2/m
11,031.483033
false
[CIF] data_V5Fe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45807133 _cell_length_b 4.45807133 _cell_length_c 7.72160605 _cell_angle_alpha 95.52183276 _cell_angle_beta 95.52183276 _cell_angle_gamma 33.55730976 _symmetry_Int_Tables_number 1 _chemical_formula_structural V5Fe2 _chemical_formula_sum 'V5 Fe2' _cell_volume 84.39995200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10420243 0.00000000 5.48750647 1 Fe Fe1 1 4.65630365 0.00000000 2.19500259 1 V V2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 0.77605061 0.00000000 4.39000518 1 V V4 1 5.43235425 0.00000000 6.58500777 1 V V5 1 2.32815182 0.00000000 1.09750129 1 V V6 1 6.98445547 -0.00000000 3.29250388 1 [/CIF]
Fe2V5
C2/m
12
monoclinic
2/m
7,208.740624
false
[CIF] data_GaCu2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26058570 _cell_length_b 3.26058570 _cell_length_c 6.89003974 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCu2Bi _chemical_formula_sum 'Ga1 Cu2 Bi1' _cell_volume 73.25090014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63029285 1.63029285 5.36951042 1 Cu Cu1 1 0.00000000 0.00000000 0.42004969 1 Cu Cu2 1 1.63029285 1.63029285 1.60306965 1 Ga Ga3 1 0.00000000 0.00000000 2.94242985 1 [/CIF]
BiCu2Ga
P4mm
99
tetragonal
4mm
9,199.055758
false
[CIF] data_CoRe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78955960 _cell_length_b 2.78955960 _cell_length_c 8.54978368 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.48383196 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoRe2Cl _chemical_formula_sum 'Co1 Re2 Cl1' _cell_volume 59.02270570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.04375306 1 Co Co1 1 1.44748539 -0.00000000 2.15288392 1 Re Re2 1 0.00000000 0.00000000 0.12796778 1 Re Re3 1 1.44748539 -0.00000000 6.50007085 1 [/CIF]
ClCoRe2
Cmm2
35
orthorhombic
mm2
13,132.911324
false
[CIF] data_SrW2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37907480 _cell_length_b 6.31430511 _cell_length_c 4.82368590 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.35444751 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrW2Br _chemical_formula_sum 'Sr1 W2 Br1' _cell_volume 102.89186273 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 1.63252778 0.00000000 2.41116908 1 W W2 1 2.50105591 3.15715256 3.27708847 1 W W3 1 0.76399965 3.15715256 1.54524969 1 [/CIF]
BrSrW2
P2/m
10
monoclinic
2/m
8,637.487232
false
[CIF] data_ZrTa2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55810791 _cell_length_b 5.55810791 _cell_length_c 5.55810791 _cell_angle_alpha 145.58595431 _cell_angle_beta 129.11411969 _cell_angle_gamma 62.88087635 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTa2Mo _chemical_formula_sum 'Zr1 Ta2 Mo1' _cell_volume 74.47226024 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.74208244 1 Ta Ta1 1 -0.00000000 2.38782994 2.20264523 1 Ta Ta2 1 1.64422804 0.00000000 2.53943722 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoTa2Zr
Immm
71
orthorhombic
mmm
12,243.068488
false
[CIF] data_ZrMnSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05455059 _cell_length_b 5.05455059 _cell_length_c 5.05455059 _cell_angle_alpha 144.83569513 _cell_angle_beta 122.99798300 _cell_angle_gamma 68.76995806 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnSi2 _chemical_formula_sum 'Zr1 Mn1 Si2' _cell_volume 61.44521852 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 0.00000000 2.41190128 2.31247408 1 Si Si2 1 1.52684305 0.00000000 1.85885235 1 Zr Zr3 1 0.00000000 0.00000000 4.17132643 1 [/CIF]
MnSi2Zr
Immm
71
orthorhombic
mmm
5,467.991387
false
[CIF] data_NbPd2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39423455 _cell_length_b 5.39423455 _cell_length_c 5.39423455 _cell_angle_alpha 146.00446171 _cell_angle_beta 131.47639883 _cell_angle_gamma 60.56784579 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbPd2Se _chemical_formula_sum 'Nb1 Pd2 Se1' _cell_volume 65.12588546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 4.65812159 1 Pd Pd1 1 1.57692070 -0.00000000 2.17564537 1 Pd Pd2 1 -0.00000000 2.21652674 2.48247622 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbPd2Se
Immm
71
orthorhombic
mmm
9,809.002498
false
[CIF] data_TcRhCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10180296 _cell_length_b 6.10180296 _cell_length_c 6.10180296 _cell_angle_alpha 152.64980591 _cell_angle_beta 152.64980591 _cell_angle_gamma 39.06512170 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcRhCl _chemical_formula_sum 'Tc1 Rh1 Cl1' _cell_volume 47.86816575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.22734659 1 Rh Rh1 1 -0.00000000 0.00000000 3.57461447 1 Tc Tc2 1 -0.00000000 -0.00000000 7.69934734 1 [/CIF]
ClRhTc
I4mm
107
tetragonal
4mm
8,230.674756
false
[CIF] data_TiSi2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70864047 _cell_length_b 4.70864047 _cell_length_c 3.51029221 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSi2Bi _chemical_formula_sum 'Ti1 Si2 Bi1' _cell_volume 77.82772439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35432023 2.35432023 0.00000000 1 Si Si1 1 2.35432023 0.00000000 1.75514611 1 Si Si2 1 0.00000000 2.35432023 1.75514611 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiSi2Ti
P4/mmm
123
tetragonal
4/mmm
6,678.587686
false
[CIF] data_BaScCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44821945 _cell_length_b 7.44821945 _cell_length_c 7.44821945 _cell_angle_alpha 152.15199733 _cell_angle_beta 152.15199733 _cell_angle_gamma 39.79137731 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScCl _chemical_formula_sum 'Ba1 Sc1 Cl1' _cell_volume 89.99254097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 -0.00000000 0.00000000 0.10279444 1 Cl Cl1 1 -0.00000000 0.00000000 9.62111096 1 Sc Sc2 1 0.00000000 0.00000000 4.28342072 1 [/CIF]
BaClSc
I4mm
107
tetragonal
4mm
4,017.655065
false
[CIF] data_LiLa2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50057157 _cell_length_b 5.50057157 _cell_length_c 5.50057157 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLa2Te _chemical_formula_sum 'Li1 La2 Te1' _cell_volume 117.68157237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94474573 1.94474573 1.94474573 1 La La1 1 5.83423719 5.83423719 5.83423719 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.88949146 3.88949146 3.88949146 1 [/CIF]
La2LiTe
Fm-3m
225
cubic
m-3m
5,818.468362
false
[CIF] data_ZrNbAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96487162 _cell_length_b 6.94965870 _cell_length_c 2.93331595 _cell_angle_alpha 78.12083439 _cell_angle_beta 77.53988625 _cell_angle_gamma 24.33927936 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbAl _chemical_formula_sum 'Zr1 Nb1 Al1' _cell_volume 57.12320078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04849479 2.09952651 13.21188196 1 Nb Nb1 1 2.04849479 2.09952651 4.56408886 1 Zr Zr2 1 2.04849479 2.09952651 8.78759075 1 [/CIF]
AlNbZr
Fmm2
42
orthorhombic
mm2
6,136.903806
false
[CIF] data_ZnAgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15431664 _cell_length_b 3.15431664 _cell_length_c 10.36087816 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.20334971 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAgTe2 _chemical_formula_sum 'Zn1 Ag1 Te2' _cell_volume 99.93647971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93757727 0.00000000 3.01526348 1 Te Te1 1 0.00000000 0.00000000 0.51975967 1 Te Te2 1 1.93757727 0.00000000 7.11597939 1 Zn Zn3 1 0.00000000 0.00000000 4.89031470 1 [/CIF]
AgTe2Zn
Cmm2
35
orthorhombic
mm2
7,119.071796
false
[CIF] data_TcRhW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71662677 _cell_length_b 2.71662677 _cell_length_c 8.55787649 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.12952530 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcRhW2 _chemical_formula_sum 'Tc1 Rh1 W2' _cell_volume 61.50664892 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68873572 0.00000000 4.26230909 1 Tc Tc1 1 0.00000000 0.00000000 2.20325731 1 W W2 1 1.68873572 0.00000000 0.03387832 1 W W3 1 0.00000000 0.00000000 6.33737001 1 [/CIF]
RhTcW2
Cmm2
35
orthorhombic
mm2
15,374.975431
false
[CIF] data_Co2SiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22145098 _cell_length_b 4.22145098 _cell_length_c 4.22145098 _cell_angle_alpha 128.11830027 _cell_angle_beta 124.80690691 _cell_angle_gamma 79.15809193 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2SiGe _chemical_formula_sum 'Co2 Si1 Ge1' _cell_volume 46.99879322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84664431 -0.00000000 1.38438071 1 Co Co1 1 0.00000000 1.95555601 1.86928705 1 Ge Ge2 1 -0.00000000 -0.00000000 3.25366776 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2GeSi
Immm
71
orthorhombic
mmm
7,723.18496
false
[CIF] data_AlNiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22582737 _cell_length_b 4.22582737 _cell_length_c 4.22582737 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNiHg _chemical_formula_sum 'Al1 Ni1 Hg1' _cell_volume 53.36054509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 4.48216679 4.48216679 4.48216679 1 Ni Ni2 1 1.49405560 1.49405559 1.49405560 1 [/CIF]
AlHgNi
F-43m
216
cubic
-43m
8,908.344417
false
[CIF] data_YbHo2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05575885 _cell_length_b 5.05575885 _cell_length_c 5.05575885 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbHo2Fe _chemical_formula_sum 'Yb1 Ho2 Fe1' _cell_volume 91.37850634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ho Ho1 1 1.78748068 1.78748068 1.78748068 1 Ho Ho2 1 5.36244205 5.36244205 5.36244205 1 Yb Yb3 1 3.57496137 3.57496137 3.57496137 1 [/CIF]
FeHo2Yb
Fm-3m
225
cubic
m-3m
10,153.834291
false
[CIF] data_LaOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09208228 _cell_length_b 4.09208228 _cell_length_c 5.85621513 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaOF _chemical_formula_sum 'La2 O2 F2' _cell_volume 98.06312692 _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 O O0 1 0.00000000 0.00000000 0.00000000 1 O O1 1 2.04604114 2.04604114 0.00000000 1 F F2 1 2.04604114 2.04604114 2.92810757 1 F F3 1 0.00000000 0.00000000 2.92810757 1 La La4 1 2.04604114 0.00000000 1.25496986 1 La La5 1 0.00000000 2.04604114 4.60124527 1 [/CIF]
F2La2O2
P4/nmm
129
tetragonal
4/mmm
5,889.536425
false
[CIF] data_Tc2AgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80242762 _cell_length_b 4.80242762 _cell_length_c 4.91660925 _cell_angle_alpha 98.75606644 _cell_angle_beta 98.75606644 _cell_angle_gamma 32.74273944 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2AgRh _chemical_formula_sum 'Tc2 Ag1 Rh1' _cell_volume 60.55391938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.20341338 0.00000000 2.40091652 1 Rh Rh1 1 6.64194487 -0.00000000 1.15865570 1 Tc Tc2 1 -0.71022099 0.00000000 4.82844323 1 Tc Tc3 1 1.73781670 0.00000000 3.74781251 1 [/CIF]
AgRhTc2
Cm
8
monoclinic
m
11,204.447014
false
[CIF] data_Mn2BeZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45854797 _cell_length_b 3.85167714 _cell_length_c 4.69855736 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.29594283 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2BeZn _chemical_formula_sum 'Mn2 Be1 Zn1' _cell_volume 44.02756820 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.15541732 0.00000000 3.55823930 1 Mn Mn1 1 2.40359449 1.92583857 0.01877206 1 Mn Mn2 1 1.81905039 0.00000000 1.01643267 1 Zn Zn3 1 0.75140275 1.92583857 2.38064351 1 [/CIF]
BeMn2Zn
Pm
6
monoclinic
m
6,949.842494
false
[CIF] data_NaNbOsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52167662 _cell_length_b 4.52167662 _cell_length_c 4.52167662 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNbOsPt _chemical_formula_sum 'Na1 Nb1 Os1 Pt1' _cell_volume 65.37075489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 4.79596230 4.79596230 4.79596230 1 Os Os2 1 3.19730820 3.19730820 3.19730820 1 Pt Pt3 1 1.59865410 1.59865410 1.59865410 1 [/CIF]
NaNbOsPt
F-43m
216
cubic
-43m
12,731.672365
false
[CIF] data_Mg3MnF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38935172 _cell_length_b 5.38935172 _cell_length_c 5.38935172 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3MnF _chemical_formula_sum 'Mg3 Mn1 F1' _cell_volume 156.53432411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.69467586 0.00000000 2.69467586 1 Mg Mg1 1 2.69467586 2.69467586 0.00000000 1 Mg Mg2 1 0.00000000 2.69467586 2.69467586 1 Mn Mn3 1 2.69467586 2.69467586 2.69467586 1 F F4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FMg3Mn
Pm-3m
221
cubic
m-3m
1,557.821699
false
[CIF] data_InP2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48391896 _cell_length_b 4.48391896 _cell_length_c 3.22216128 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InP2W _chemical_formula_sum 'In1 P2 W1' _cell_volume 64.78325783 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 0.00000000 2.24195948 1.61108064 1 P P2 1 2.24195948 0.00000000 1.61108064 1 W W3 1 2.24195948 2.24195948 0.00000000 1 [/CIF]
InP2W
P4/mmm
123
tetragonal
4/mmm
9,243.12207
false
[CIF] data_LiMnZnCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12846848 _cell_length_b 4.12846848 _cell_length_c 4.12846848 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnZnCo _chemical_formula_sum 'Li1 Mn1 Zn1 Co1' _cell_volume 49.75674051 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45963403 1.45963403 1.45963403 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.37890209 4.37890209 4.37890209 1 Zn Zn3 1 2.91926806 2.91926806 2.91926806 1 [/CIF]
CoLiMnZn
F-43m
216
cubic
-43m
6,213.821188
false
[CIF] data_HfTlRhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70987938 _cell_length_b 4.70987938 _cell_length_c 4.70987938 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTlRhW _chemical_formula_sum 'Hf1 Tl1 Rh1 W1' _cell_volume 73.87786868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.33038765 3.33038765 3.33038765 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 4.99558148 4.99558148 4.99558148 1 W W3 1 1.66519383 1.66519383 1.66519382 1 [/CIF]
HfRhTlW
F-43m
216
cubic
-43m
15,050.896799
false
[CIF] data_Sm3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58030857 _cell_length_b 5.58030857 _cell_length_c 5.58030857 _cell_angle_alpha 128.08431502 _cell_angle_beta 128.08431502 _cell_angle_gamma 76.48848093 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3W _chemical_formula_sum 'Sm3 W1' _cell_volume 104.58908518 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Sm Sm1 1 2.44255523 0.00000000 2.19132903 1 Sm Sm2 1 0.00000000 2.44255523 2.19132903 1 W W3 1 0.00000000 -0.00000000 4.38265806 1 [/CIF]
Sm3W
I4/mmm
139
tetragonal
4/mmm
10,080.492265
false
[CIF] data_ZnAgOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80997645 _cell_length_b 4.80997645 _cell_length_c 4.80997645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAgOs3 _chemical_formula_sum 'Zn1 Ag1 Os3' _cell_volume 111.28300644 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 2.40498822 0.00000000 2.40498822 1 Os Os2 1 2.40498822 2.40498822 0.00000000 1 Os Os3 1 0.00000000 2.40498822 2.40498822 1 Ag Ag4 1 2.40498822 2.40498822 2.40498822 1 [/CIF]
AgOs3Zn
Pm-3m
221
cubic
m-3m
11,100.872305
false
[CIF] data_AgHgO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23830165 _cell_length_b 4.23830165 _cell_length_c 4.23830165 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHgO3 _chemical_formula_sum 'Ag1 Hg1 O3' _cell_volume 76.13346391 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11915083 2.11915083 2.11915083 1 O O2 1 0.00000000 2.11915083 2.11915083 1 O O3 1 2.11915083 0.00000000 2.11915083 1 O O4 1 2.11915083 2.11915083 0.00000000 1 [/CIF]
AgHgO3
Pm-3m
221
cubic
m-3m
7,774.633483
false
[CIF] data_GeAsW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43682075 _cell_length_b 4.43682075 _cell_length_c 4.43682075 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeAsW2 _chemical_formula_sum 'Ge1 As1 W2' _cell_volume 61.75905662 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 3.13730604 3.13730604 3.13730604 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.70595906 4.70595906 4.70595906 1 W W3 1 1.56865302 1.56865302 1.56865302 1 [/CIF]
AsGeW2
Fm-3m
225
cubic
m-3m
13,853.509425
false
[CIF] data_TlSiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81151046 _cell_length_b 3.81151046 _cell_length_c 7.44749071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSiSn2 _chemical_formula_sum 'Tl1 Si1 Sn2' _cell_volume 108.19425503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 6.09732045 1 Sn Sn1 1 1.90575523 1.90575523 7.16049317 1 Sn Sn2 1 0.00000000 0.00000000 1.51983609 1 Tl Tl3 1 1.90575523 1.90575523 3.84107715 1 [/CIF]
SiSn2Tl
P4mm
99
tetragonal
4mm
7,211.782713
false
[CIF] data_MnBeRePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17541309 _cell_length_b 4.17541309 _cell_length_c 4.17541309 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBeRePd _chemical_formula_sum 'Mn1 Be1 Re1 Pd1' _cell_volume 51.47345824 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 4.42869437 4.42869437 4.42869437 1 Pd Pd2 1 1.47623146 1.47623146 1.47623145 1 Re Re3 1 2.95246291 2.95246291 2.95246291 1 [/CIF]
BeMnPdRe
F-43m
216
cubic
-43m
11,503.218084
false
[CIF] data_Re2TeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38027312 _cell_length_b 4.38027312 _cell_length_c 5.56491195 _cell_angle_alpha 102.47944125 _cell_angle_beta 102.47944125 _cell_angle_gamma 41.89251116 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2TeAs _chemical_formula_sum 'Re2 Te1 As1' _cell_volume 69.36124942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 5.82639213 -0.00000000 1.11056436 1 Re Re2 1 1.06761575 0.00000000 4.30333543 1 Te Te3 1 3.44700394 -0.00000000 2.70694989 1 [/CIF]
AsRe2Te
C2/m
12
monoclinic
2/m
13,764.213195
false
[CIF] data_KHfTaZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03582677 _cell_length_b 5.03582677 _cell_length_c 5.03582677 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfTaZn _chemical_formula_sum 'K1 Hf1 Ta1 Zn1' _cell_volume 90.30199591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.56086726 3.56086726 3.56086726 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 5.34130089 5.34130089 5.34130089 1 Zn Zn3 1 1.78043363 1.78043363 1.78043363 1 [/CIF]
HfKTaZn
F-43m
216
cubic
-43m
8,530.82961
false
[CIF] data_Ba2MoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56295902 _cell_length_b 3.56295902 _cell_length_c 9.81452884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MoOs _chemical_formula_sum 'Ba2 Mo1 Os1' _cell_volume 124.59227332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 9.05861687 1 Ba Ba1 1 1.78147951 1.78147951 3.17558689 1 Mo Mo2 1 0.00000000 0.00000000 5.89325800 1 Os Os3 1 1.78147951 1.78147951 6.40886044 1 [/CIF]
Ba2MoOs
P4mm
99
tetragonal
4mm
7,475.313348
false
[CIF] data_Li2GaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22744856 _cell_length_b 3.22744856 _cell_length_c 5.86395344 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2GaAu _chemical_formula_sum 'Li2 Ga1 Au1' _cell_volume 61.08142656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.93197672 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 1.61372428 1.61372428 1.50853973 1 Li Li3 1 1.61372428 1.61372428 4.35541371 1 [/CIF]
AuGaLi2
P4/mmm
123
tetragonal
4/mmm
7,627.524069
false
[CIF] data_LiHgCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29337594 _cell_length_b 5.29337594 _cell_length_c 5.29337594 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHgCl3 _chemical_formula_sum 'Li1 Hg1 Cl3' _cell_volume 148.31948784 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 2.64668797 2.64668797 2.64668797 1 Cl Cl2 1 2.64668797 0.00000000 2.64668797 1 Cl Cl3 1 2.64668797 2.64668797 0.00000000 1 Cl Cl4 1 0.00000000 2.64668797 2.64668797 1 [/CIF]
Cl3HgLi
Pm-3m
221
cubic
m-3m
3,514.215261
false
[CIF] data_CrFeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.59949625 _cell_length_b 2.59949625 _cell_length_c 7.96861977 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFeP2 _chemical_formula_sum 'Cr1 Fe1 P2' _cell_volume 53.84699803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.20968046 1 Fe Fe1 1 1.29974813 1.29974813 5.87840092 1 P P2 1 0.00000000 0.00000000 7.31773103 1 P P3 1 1.29974813 1.29974813 2.51573701 1 [/CIF]
CrFeP2
P4mm
99
tetragonal
4mm
5,236.005303
false
[CIF] data_LiInWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64626438 _cell_length_b 4.64626438 _cell_length_c 4.64626438 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiInWAu _chemical_formula_sum 'Li1 In1 W1 Au1' _cell_volume 70.92457740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64270253 1.64270253 1.64270253 1 In In1 1 4.92810758 4.92810758 4.92810758 1 Li Li2 1 -0.00000000 -0.00000000 0.00000000 1 W W3 1 3.28540505 3.28540505 3.28540505 1 [/CIF]
AuInLiW
F-43m
216
cubic
-43m
11,766.439667
false
[CIF] data_In2CoGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74903986 _cell_length_b 4.74903986 _cell_length_c 4.74903986 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2CoGe _chemical_formula_sum 'In2 Co1 Ge1' _cell_volume 75.73601421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 3.35807829 3.35807829 3.35807829 1 In In2 1 5.03711743 5.03711743 5.03711743 1 In In3 1 1.67903914 1.67903914 1.67903914 1 [/CIF]
CoGeIn2
Fm-3m
225
cubic
m-3m
7,919.640158
false
[CIF] data_Ta2BeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76169556 _cell_length_b 2.76169556 _cell_length_c 6.74688280 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2BeB _chemical_formula_sum 'Ta2 Be1 B1' _cell_volume 51.45822120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.37344140 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.38084778 1.38084778 1.82927053 1 Ta Ta3 1 1.38084778 1.38084778 4.91761227 1 [/CIF]
BBeTa2
P4/mmm
123
tetragonal
4/mmm
12,317.938724
false
[CIF] data_BaPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93067614 _cell_length_b 6.93067614 _cell_length_c 5.94725084 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 50.86420453 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPb2 _chemical_formula_sum 'Ba2 Pb4' _cell_volume 221.58202088 _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 Ba Ba0 1 6.25905774 1.55967544 1.48681271 1 Ba Ba1 1 6.25905774 -1.55967544 4.46043813 1 Pb Pb2 1 8.69573571 -1.27176216 1.48681271 1 Pb Pb3 1 3.82237977 1.27176216 4.46043813 1 Pb Pb4 1 3.82237977 -1.27176216 1.48681271 1 Pb Pb5 1 8.69573571 1.27176216 4.46043813 1 [/CIF]
Ba2Pb4
Cmcm
63
orthorhombic
mmm
8,269.301218
false
[CIF] data_YPdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19486110 _cell_length_b 3.19486110 _cell_length_c 6.54126427 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPdRu _chemical_formula_sum 'Y1 Pd1 Ru1' _cell_volume 57.82242332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.59743056 0.92227695 0.04841942 1 Ru Ru1 1 0.00000002 1.84455390 2.20604066 1 Y Y2 1 0.00000000 0.00000000 4.28680413 1 [/CIF]
PdRuY
P3m1
156
trigonal
3m
8,511.868916
false
[CIF] data_YTaHgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82484093 _cell_length_b 4.82484093 _cell_length_c 4.82484093 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaHgOs _chemical_formula_sum 'Y1 Ta1 Hg1 Os1' _cell_volume 79.42075317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.70583887 1.70583887 1.70583887 1 Os Os1 1 5.11751661 5.11751661 5.11751661 1 Ta Ta2 1 3.41167774 3.41167774 3.41167774 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgOsTaY
F-43m
216
cubic
-43m
13,813.449195
false
[CIF] data_Mg2VZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04345352 _cell_length_b 4.04345352 _cell_length_c 4.11735126 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2VZn _chemical_formula_sum 'Mg2 V1 Zn1' _cell_volume 67.31670182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02172676 0.00000000 2.05867563 1 Mg Mg1 1 0.00000000 2.02172676 2.05867563 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 2.02172676 2.02172676 0.00000000 1 [/CIF]
Mg2VZn
P4/mmm
123
tetragonal
4/mmm
4,068.458372
false
[CIF] data_GaSbP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06526305 _cell_length_b 3.90096551 _cell_length_c 5.19300866 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.33893800 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSbP2 _chemical_formula_sum 'Ga1 Sb1 P2' _cell_volume 80.74564549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 2.75625855 0.00000000 0.73046127 1 P P1 1 0.16455333 1.95048276 0.34971020 1 P P2 1 0.17518668 0.00000000 3.96145080 1 Sb Sb3 1 1.47038024 1.95048276 2.59584929 1 [/CIF]
GaP2Sb
Pm
6
monoclinic
m
5,211.814002
false
[CIF] data_Al2CoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70016421 _cell_length_b 2.70016421 _cell_length_c 7.97317130 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CoW _chemical_formula_sum 'Al2 Co1 W1' _cell_volume 58.13148902 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 7.84769758 1 Al Al1 1 1.35008210 1.35008210 2.38879162 1 Co Co2 1 0.00000000 0.00000000 3.91727184 1 W W3 1 1.35008210 1.35008210 5.77916728 1 [/CIF]
Al2CoW
P4mm
99
tetragonal
4mm
8,476.490893
false
[CIF] data_Y2TaZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81902635 _cell_length_b 6.19129629 _cell_length_c 6.19129629 _cell_angle_alpha 31.26434312 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TaZn _chemical_formula_sum 'Y2 Ta1 Zn1' _cell_volume 95.86921493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40951318 -0.00000000 3.74361145 1 Y Y1 1 0.00000000 -0.00000000 10.84354849 1 Y Y2 1 2.40951318 -0.00000000 7.07361020 1 Zn Zn3 1 0.00000000 -0.00000000 2.26603609 1 [/CIF]
TaY2Zn
Amm2
38
orthorhombic
mm2
7,346.646131
false
[CIF] data_Pb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45166801 _cell_length_b 7.45166801 _cell_length_c 7.45166801 _cell_angle_alpha 151.65430458 _cell_angle_beta 151.65430458 _cell_angle_gamma 40.51834881 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb2Br _chemical_formula_sum 'Pb2 Br1' _cell_volume 93.08488232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 -0.00000000 0.00000000 9.30300962 1 Pb Pb2 1 -0.00000000 0.00000000 4.67834496 1 [/CIF]
BrPb2
I4/mmm
139
tetragonal
4/mmm
8,817.877644
false
[CIF] data_BeCu2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.63664505 _cell_length_b 2.63664505 _cell_length_c 6.74111672 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCu2Mo _chemical_formula_sum 'Be1 Cu2 Mo1' _cell_volume 46.86354991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 1.31832253 1.31832253 1.35721687 1 Cu Cu2 1 1.31832253 1.31832253 5.38389985 1 Mo Mo3 1 0.00000000 0.00000000 3.37055836 1 [/CIF]
BeCu2Mo
P4/mmm
123
tetragonal
4/mmm
8,223.1091
false
[CIF] data_ScGaReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47079698 _cell_length_b 4.47079698 _cell_length_c 4.47079698 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGaReTc _chemical_formula_sum 'Sc1 Ga1 Re1 Tc1' _cell_volume 63.18876220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.74199629 4.74199629 4.74199629 1 Re Re1 1 3.16133086 3.16133086 3.16133086 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 1.58066543 1.58066543 1.58066543 1 [/CIF]
GaReScTc
F-43m
216
cubic
-43m
10,506.146938
false
[CIF] data_HfGaNiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45355043 _cell_length_b 4.45355043 _cell_length_c 4.45355043 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGaNiMo _chemical_formula_sum 'Hf1 Ga1 Ni1 Mo1' _cell_volume 62.46030861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57456786 1.57456786 1.57456786 1 Hf Hf1 1 4.72370357 4.72370357 4.72370357 1 Mo Mo2 1 3.14913571 3.14913571 3.14913571 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaHfMoNi
F-43m
216
cubic
-43m
10,710.408109
false
[CIF] data_NaIn2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34438358 _cell_length_b 3.34438358 _cell_length_c 10.80791924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.97989321 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaIn2Sb _chemical_formula_sum 'Na1 In2 Sb1' _cell_volume 114.31330178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.94257114 0.00000000 8.09189648 1 In In1 1 1.94257114 0.00000000 2.71602276 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 5.40395962 1 [/CIF]
In2NaSb
Cmmm
65
orthorhombic
mmm
5,438.406434
false
[CIF] data_Be5Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35001364 _cell_length_b 7.03515771 _cell_length_c 7.03515771 _cell_angle_alpha 26.09658083 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be5Te _chemical_formula_sum 'Be5 Te1' _cell_volume 72.93466201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.83189545 1 Be Be1 1 0.00000000 0.00000000 9.16494560 1 Be Be2 1 0.00000000 0.00000000 3.93896569 1 Be Be3 1 1.67500682 -0.00000000 7.75195783 1 Be Be4 1 1.67500682 0.00000000 2.39452868 1 Te Te5 1 1.67500682 -0.00000000 12.46976444 1 [/CIF]
Be5Te
Amm2
38
orthorhombic
mm2
3,931.055255
false
[CIF] data_Nb2OsCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73863393 _cell_length_b 4.73863393 _cell_length_c 2.90889867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2OsCl _chemical_formula_sum 'Nb2 Os1 Cl1' _cell_volume 65.31830595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 2.36931696 1.45444934 1 Nb Nb2 1 2.36931696 0.00000000 1.45444934 1 Os Os3 1 2.36931696 2.36931696 0.00000000 1 [/CIF]
ClNb2Os
P4/mmm
123
tetragonal
4/mmm
10,461.152893
false
[CIF] data_CrBi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.12927935 _cell_length_b 10.12927935 _cell_length_c 10.12927935 _cell_angle_alpha 18.91655223 _cell_angle_beta 18.91655223 _cell_angle_gamma 18.91655223 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrBi2Au _chemical_formula_sum 'Cr1 Bi2 Au1' _cell_volume 95.45390819 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 22.78953735 1 Bi Bi1 1 -0.00000000 -0.00000000 0.47291557 1 Bi Bi2 1 0.00000000 0.00000000 6.79159093 1 Cr Cr3 1 -0.00000000 -0.00000000 14.69959387 1 [/CIF]
AuBi2Cr
R3m
160
trigonal
3m
11,601.960528
false
[CIF] data_Ta3V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38404933 _cell_length_b 5.38404933 _cell_length_c 5.38404933 _cell_angle_alpha 144.94003011 _cell_angle_beta 129.04007281 _cell_angle_gamma 63.35796106 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3V _chemical_formula_sum 'Ta3 V1' _cell_volume 68.84087559 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62170189 0.00000000 2.20407375 1 Ta Ta1 1 -0.00000000 2.31619344 2.37777283 1 Ta Ta2 1 -0.00000000 0.00000000 4.58184658 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ta3V
Immm
71
orthorhombic
mmm
14,323.137145
false
[CIF] data_CdTcMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34004054 _cell_length_b 5.34004054 _cell_length_c 5.34004054 _cell_angle_alpha 145.09236129 _cell_angle_beta 130.03548000 _cell_angle_gamma 62.39732277 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdTcMo2 _chemical_formula_sum 'Cd1 Tc1 Mo2' _cell_volume 65.99951170 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.56774445 1 Mo Mo1 1 0.00000000 2.25530006 2.45846613 1 Mo Mo2 1 1.60167575 0.00000000 2.10927833 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdMo2Tc
Immm
71
orthorhombic
mmm
10,145.614004
false
[CIF] data_SnOsBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04738952 _cell_length_b 5.04738952 _cell_length_c 5.04738952 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnOsBr2 _chemical_formula_sum 'Sn1 Os1 Br2' _cell_volume 90.92545191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78452168 1.78452168 1.78452168 1 Br Br1 1 5.35356504 5.35356504 5.35356504 1 Os Os2 1 3.56904336 3.56904336 3.56904336 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2OsSn
Fm-3m
225
cubic
m-3m
8,560.577374
false
[CIF] data_ZrCdGeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64655015 _cell_length_b 4.64655015 _cell_length_c 4.64655015 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCdGeOs _chemical_formula_sum 'Zr1 Cd1 Ge1 Os1' _cell_volume 70.93766506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 3.28560712 3.28560712 3.28560712 1 Os Os1 1 1.64280356 1.64280356 1.64280356 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Cd Cd3 1 4.92841068 4.92841068 4.92841068 1 [/CIF]
CdGeOsZr
F-43m
216
cubic
-43m
10,920.147663
false
[CIF] data_TaGeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25302791 _cell_length_b 3.25302791 _cell_length_c 7.08248065 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGeSe2 _chemical_formula_sum 'Ta1 Ge1 Se2' _cell_volume 74.94816004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Se Se1 1 1.62651396 1.62651396 2.01374593 1 Se Se2 1 1.62651396 1.62651396 5.06873472 1 Ta Ta3 1 0.00000000 0.00000000 3.54124032 1 [/CIF]
GeSe2Ta
P4/mmm
123
tetragonal
4/mmm
9,117.300686
false
[CIF] data_Mn2GaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17749987 _cell_length_b 4.17749987 _cell_length_c 3.53421721 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2GaSe _chemical_formula_sum 'Mn2 Ga1 Se1' _cell_volume 61.67740989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 0.00000000 2.08874994 1.76710860 1 Mn Mn2 1 2.08874994 0.00000000 1.76710860 1 Se Se3 1 2.08874994 2.08874994 0.00000000 1 [/CIF]
GaMn2Se
P4/mmm
123
tetragonal
4/mmm
6,961.178667
false