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_BeCrCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30572111 _cell_length_b 3.30572111 _cell_length_c 6.37892268 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCrCl2 _chemical_formula_sum 'Be1 Cr1 Cl2' _cell_volume 69.70754060 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 1.65286055 1.65286055 1.62483829 1 Cl Cl2 1 1.65286055 1.65286055 4.75408439 1 Cr Cr3 1 0.00000000 0.00000000 3.18946134 1 [/CIF]
BeCl2Cr
P4/mmm
123
tetragonal
4/mmm
3,142.39775
false
[CIF] data_BPSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34443875 _cell_length_b 8.34443875 _cell_length_c 8.34443875 _cell_angle_alpha 156.72127843 _cell_angle_beta 156.72127843 _cell_angle_gamma 33.15580459 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPSe2 _chemical_formula_sum 'B1 P1 Se2' _cell_volume 90.66582301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.68349734 0.00000000 3.99879143 1 Se Se2 1 -0.00000000 0.00000000 7.99758285 1 Se Se3 1 0.00000000 1.68349734 3.99879143 1 [/CIF]
BPSe2
I-4m2
119
tetragonal
-42m
3,657.580642
false
[CIF] data_CdRuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01144368 _cell_length_b 3.01144368 _cell_length_c 8.90677894 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdRuSe2 _chemical_formula_sum 'Cd1 Ru1 Se2' _cell_volume 80.77373484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50572184 1.50572184 4.77284268 1 Ru Ru1 1 0.00000000 0.00000000 6.85626849 1 Se Se2 1 1.50572184 1.50572184 8.17583896 1 Se Se3 1 0.00000000 0.00000000 2.46199723 1 [/CIF]
CdRuSe2
P4mm
99
tetragonal
4mm
7,635.227851
false
[CIF] data_TcRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07191005 _cell_length_b 6.07191005 _cell_length_c 6.07191005 _cell_angle_alpha 154.16312649 _cell_angle_beta 154.16312649 _cell_angle_gamma 36.86254677 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcRu2 _chemical_formula_sum 'Tc1 Ru2' _cell_volume 42.45895970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.00000000 0.00000000 7.68030128 1 Ru Ru1 1 -0.00000000 0.00000000 3.84058434 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ru2Tc
I4/mmm
139
tetragonal
4/mmm
11,773.698166
false
[CIF] data_Tl2CdSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63315708 _cell_length_b 6.63315708 _cell_length_c 5.23491690 _cell_angle_alpha 112.80807366 _cell_angle_beta 112.80807366 _cell_angle_gamma 29.43897483 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CdSi _chemical_formula_sum 'Tl2 Cd1 Si1' _cell_volume 103.71575422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 4.91065201 -0.00000000 2.25038159 1 Si Si1 1 9.28985900 0.00000000 1.22124697 1 Tl Tl2 1 0.38147628 0.00000000 0.20989238 1 Tl Tl3 1 1.51718568 0.00000000 3.51255788 1 [/CIF]
CdSiTl2
Cm
8
monoclinic
m
8,793.966185
false
[CIF] data_La2TiMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25837941 _cell_length_b 3.25837941 _cell_length_c 9.50243608 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.14543876 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TiMn _chemical_formula_sum 'La2 Ti1 Mn1' _cell_volume 90.56471766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72316952 0.00000000 2.64317282 1 La La1 1 1.72316952 0.00000000 6.85926326 1 Mn Mn2 1 0.00000000 0.00000000 4.75121804 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2MnTi
Cmmm
65
orthorhombic
mmm
6,978.741047
false
[CIF] data_SrY2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47495587 _cell_length_b 6.47495587 _cell_length_c 6.47495587 _cell_angle_alpha 148.08600733 _cell_angle_beta 124.10625306 _cell_angle_gamma 65.82205048 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrY2Mn _chemical_formula_sum 'Sr1 Y2 Mn1' _cell_volume 117.44914137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 -0.00000000 0.00000000 5.43582470 1 Y Y2 1 1.78006766 0.00000000 2.01709658 1 Y Y3 1 -0.00000000 3.03450531 3.41872811 1 [/CIF]
MnSrY2
Immm
71
orthorhombic
mmm
4,529.505125
false
[CIF] data_BaAs2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19392672 _cell_length_b 6.19392672 _cell_length_c 6.19392672 _cell_angle_alpha 46.50549875 _cell_angle_beta 46.50549875 _cell_angle_gamma 46.50549875 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAs2Se _chemical_formula_sum 'Ba1 As2 Se1' _cell_volume 114.19083457 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.06690324 1 As As1 1 0.00000000 0.00000000 11.47182031 1 Ba Ba2 1 0.00000000 -0.00000000 8.26936177 1 Se Se3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
As2BaSe
R-3m
166
trigonal
-3m
5,324.188257
false
[CIF] data_CdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95907361 _cell_length_b 5.95907361 _cell_length_c 5.95907361 _cell_angle_alpha 47.44279181 _cell_angle_beta 47.44279181 _cell_angle_gamma 47.44279181 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdHg _chemical_formula_sum 'Cd2 Hg2' _cell_volume 105.05649028 _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 Cd Cd0 1 -0.00000000 -0.00000000 1.73880625 1 Cd Cd1 1 0.00000000 0.00000000 14.09255385 1 Hg Hg2 1 0.00000000 0.00000000 4.71488363 1 Hg Hg3 1 0.00000000 0.00000000 11.11647647 1 [/CIF]
Cd2Hg2
R-3m
166
trigonal
-3m
9,894.684035
false
[CIF] data_VSiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28813741 _cell_length_b 4.28813741 _cell_length_c 4.28813741 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSiSe _chemical_formula_sum 'V1 Si1 Se1' _cell_volume 55.75593232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 3.03217104 3.03217104 3.03217104 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 4.54825656 4.54825656 4.54825656 1 [/CIF]
SeSiV
F-43m
216
cubic
-43m
4,705.21386
false
[CIF] data_Mg5Ru4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88594630 _cell_length_b 7.88594630 _cell_length_c 5.34048265 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Ru4 _chemical_formula_sum 'Mg10 Ru8' _cell_volume 287.61979407 _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 Mg Mg0 1 2.45407077 0.00000000 4.00536199 1 Mg Mg1 1 -1.22703538 2.12528763 4.00536199 1 Mg Mg2 1 2.71593777 4.70414220 4.00536199 1 Mg Mg3 1 5.43187554 0.00000000 1.33512066 1 Mg Mg4 1 -2.71593777 4.70414220 1.33512066 1 Mg Mg5 1 1.22703538 2.12528763 1.33512066 1 Mg Mg6 1 -0.00000000 4.55295322 2.67024133 1 Mg Mg7 1 3.94297315 2.27647661 0.00000000 1 Mg Mg8 1 3.94297315 2.27647661 2.67024133 1 Mg Mg9 1 -0.00000000 4.55295322 0.00000000 1 Ru Ru10 1 0.00000000 0.00000000 2.67024133 1 Ru Ru11 1 0.00000000 0.00000000 0.00000000 1 Ru Ru12 1 5.15307350 0.00000000 4.00536199 1 Ru Ru13 1 -2.57653675 4.46269256 4.00536199 1 Ru Ru14 1 1.36643640 2.36673727 4.00536199 1 Ru Ru15 1 2.73287280 0.00000000 1.33512066 1 Ru Ru16 1 -1.36643640 2.36673727 1.33512066 1 Ru Ru17 1 2.57653675 4.46269256 1.33512066 1 [/CIF]
Mg10Ru8
P6_3/mcm
193
hexagonal
6/mmm
6,071.3467
false
[CIF] data_Mg2GeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36484656 _cell_length_b 5.36484656 _cell_length_c 5.36484656 _cell_angle_alpha 127.87586921 _cell_angle_beta 127.87586921 _cell_angle_gamma 76.82620144 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2GeBi _chemical_formula_sum 'Mg2 Ge1 Bi1' _cell_volume 93.41353332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.20363309 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 2.35701585 -0.00000000 2.10181655 1 Mg Mg3 1 -0.00000000 2.35701585 2.10181655 1 [/CIF]
BiGeMg2
I4/mmm
139
tetragonal
4/mmm
5,870.246641
false
[CIF] data_AgHgIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83585517 _cell_length_b 4.83585517 _cell_length_c 4.83585517 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHgIr3 _chemical_formula_sum 'Ag1 Hg1 Ir3' _cell_volume 113.08886799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 2.41792759 0.00000000 1 Ir Ir1 1 0.00000000 0.00000000 2.41792759 1 Ir Ir2 1 2.41792759 0.00000000 0.00000000 1 Hg Hg3 1 2.41792759 2.41792759 2.41792759 1 Ag Ag4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgHgIr3
Pm-3m
221
cubic
m-3m
12,996.490556
false
[CIF] data_LiCaGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69301916 _cell_length_b 5.69301916 _cell_length_c 5.69301916 _cell_angle_alpha 142.33789482 _cell_angle_beta 142.33789482 _cell_angle_gamma 54.32014603 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaGe _chemical_formula_sum 'Li1 Ca1 Ge1' _cell_volume 68.41608127 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.03681100 1 Ge Ge1 1 0.00000000 -0.00000000 3.10508174 1 Li Li2 1 0.00000000 0.00000000 7.11921378 1 [/CIF]
CaGeLi
I4mm
107
tetragonal
4mm
2,904.272114
false
[CIF] data_YSe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63985098 _cell_length_b 3.63985098 _cell_length_c 8.11857094 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSe2Br _chemical_formula_sum 'Y1 Se2 Br1' _cell_volume 107.55901015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.52146608 1 Se Se1 1 1.81992549 1.81992549 0.65521804 1 Se Se2 1 0.00000000 0.00000000 2.34763230 1 Y Y3 1 1.81992549 1.81992549 3.65354000 1 [/CIF]
BrSe2Y
P4mm
99
tetragonal
4mm
5,044.186251
false
[CIF] data_Ba2BBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69117138 _cell_length_b 5.69117138 _cell_length_c 3.73256886 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2BBr _chemical_formula_sum 'Ba2 B1 Br1' _cell_volume 120.89578424 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 0.00000000 2.84558569 1.86628443 1 Ba Ba2 1 2.84558569 0.00000000 1.86628443 1 Br Br3 1 2.84558569 2.84558569 0.00000000 1 [/CIF]
BBa2Br
P4/mmm
123
tetragonal
4/mmm
5,018.451951
false
[CIF] data_GaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12614744 _cell_length_b 5.12614744 _cell_length_c 5.12614744 _cell_angle_alpha 138.64858793 _cell_angle_beta 138.64858793 _cell_angle_gamma 59.91109406 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRh _chemical_formula_sum 'Ga2 Rh2' _cell_volume 58.19692128 _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 Ga Ga0 1 0.00000000 1.80993078 2.22068056 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.80993078 -0.00000000 2.22068056 1 Rh Rh3 1 0.00000000 0.00000000 4.44136113 1 [/CIF]
Ga2Rh2
I4_1/amd
141
tetragonal
4/mmm
9,851.255426
false
[CIF] data_YGaSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53133891 _cell_length_b 3.53133891 _cell_length_c 6.06887805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGaSi2 _chemical_formula_sum 'Y1 Ga1 Si2' _cell_volume 75.68106068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 1.76566946 1.76566946 1.21310354 1 Si Si2 1 1.76566946 1.76566946 4.85577451 1 Y Y3 1 0.00000000 0.00000000 3.03443903 1 [/CIF]
GaSi2Y
P4/mmm
123
tetragonal
4/mmm
4,712.982868
false
[CIF] data_Sb2PdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09812083 _cell_length_b 5.09812083 _cell_length_c 5.09812083 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2PdBr _chemical_formula_sum 'Sb2 Pd1 Br1' _cell_volume 93.69477559 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 5.40737372 5.40737372 5.40737372 1 Sb Sb2 1 3.60491581 3.60491581 3.60491581 1 Sb Sb3 1 1.80245791 1.80245791 1.80245791 1 [/CIF]
BrPdSb2
F-43m
216
cubic
-43m
7,618.063548
false
[CIF] data_SmTh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58452580 _cell_length_b 3.58452580 _cell_length_c 5.09996200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmTh _chemical_formula_sum 'Sm1 Th1' _cell_volume 65.52852029 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Th Th1 1 1.79226290 1.79226290 2.54998100 1 [/CIF]
SmTh
P4/mmm
123
tetragonal
4/mmm
9,690.237393
false
[CIF] data_Mn2ZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52237577 _cell_length_b 4.52237577 _cell_length_c 2.73804704 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.89206962 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2ZnGa _chemical_formula_sum 'Mn2 Zn1 Ga1' _cell_volume 53.85792100 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.72503425 0.00000000 0.00000000 1 Mn Mn1 1 1.36251713 -1.80458242 1.36902352 1 Mn Mn2 1 1.36251713 1.80458243 1.36902352 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaMn2Zn
Cmmm
65
orthorhombic
mmm
7,553.157305
false
[CIF] data_BeFe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08384944 _cell_length_b 4.08384944 _cell_length_c 4.08384944 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeFe2Te _chemical_formula_sum 'Be1 Fe2 Te1' _cell_volume 48.16085299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 -0.00000000 -0.00000000 0.00000000 1 Fe Fe1 1 1.44385882 1.44385882 1.44385882 1 Fe Fe2 1 4.33157645 4.33157645 4.33157645 1 Te Te3 1 2.88771763 2.88771763 2.88771763 1 [/CIF]
BeFe2Te
Fm-3m
225
cubic
m-3m
8,561.308487
false
[CIF] data_ScCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45571398 _cell_length_b 5.45571398 _cell_length_c 5.45571398 _cell_angle_alpha 136.72813563 _cell_angle_beta 136.72813563 _cell_angle_gamma 62.85661247 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCr _chemical_formula_sum 'Sc2 Cr2' _cell_volume 75.34895411 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 -0.00000000 4.65532416 1 Cr Cr1 1 2.01156308 -0.00000000 2.32766208 1 Sc Sc2 1 -0.00000000 2.01156308 2.32766208 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2Sc2
I4_1/amd
141
tetragonal
4/mmm
4,273.253834
false
[CIF] data_Al2TcSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85882938 _cell_length_b 4.85882938 _cell_length_c 4.72614094 _cell_angle_alpha 100.69663096 _cell_angle_beta 100.69663096 _cell_angle_gamma 39.04103835 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2TcSn _chemical_formula_sum 'Al2 Tc1 Sn1' _cell_volume 68.90280278 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.15447382 -0.00000000 4.54740143 1 Al Al1 1 6.60176103 -0.00000000 1.03837826 1 Sn Sn2 1 4.19656561 -0.00000000 2.38409921 1 Tc Tc3 1 1.61819236 -0.00000000 3.61410501 1 [/CIF]
Al2SnTc
Cm
8
monoclinic
m
6,544.98774
false
[CIF] data_Hf2TcAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22679698 _cell_length_b 3.22679698 _cell_length_c 7.09109163 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TcAs _chemical_formula_sum 'Hf2 Tc1 As1' _cell_volume 73.83399723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.00230656 1 Hf Hf1 1 1.61339849 1.61339849 6.95418201 1 Hf Hf2 1 0.00000000 0.00000000 2.00441476 1 Tc Tc3 1 1.61339849 1.61339849 3.76682574 1 [/CIF]
AsHf2Tc
P4mm
99
tetragonal
4mm
11,937.957064
false
[CIF] data_BaBe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94038216 _cell_length_b 2.94038216 _cell_length_c 8.09304255 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBe2Mo _chemical_formula_sum 'Ba1 Be2 Mo1' _cell_volume 69.97120965 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47019108 1.47019108 6.25880034 1 Be Be1 1 0.00000000 0.00000000 0.81530379 1 Be Be2 1 1.47019108 1.47019108 1.74724168 1 Mo Mo3 1 0.00000000 0.00000000 3.31821794 1 [/CIF]
BaBe2Mo
P4mm
99
tetragonal
4mm
5,964.057787
false
[CIF] data_Os2RhSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86890138 _cell_length_b 2.86890138 _cell_length_c 7.21481888 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Os2RhSe _chemical_formula_sum 'Os2 Rh1 Se1' _cell_volume 59.38225312 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43445069 1.43445069 1.77511759 1 Os Os1 1 1.43445069 1.43445069 5.43970129 1 Rh Rh2 1 0.00000000 0.00000000 3.60740944 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2RhSe
P4/mmm
123
tetragonal
4/mmm
15,724.621613
false
[CIF] data_K2CdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88042944 _cell_length_b 5.88042944 _cell_length_c 5.88042944 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CdHg _chemical_formula_sum 'K2 Cd1 Hg1' _cell_volume 143.78451959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 4.15809153 4.15809153 4.15809153 1 Hg Hg1 1 2.07904577 2.07904577 2.07904577 1 K K2 1 0.00000000 0.00000000 0.00000000 1 K K3 1 6.23713730 6.23713730 6.23713730 1 [/CIF]
CdHgK2
F-43m
216
cubic
-43m
4,517.86395
false
[CIF] data_LaVGaFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54008218 _cell_length_b 4.54008218 _cell_length_c 4.54008218 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaVGaFe _chemical_formula_sum 'La1 V1 Ga1 Fe1' _cell_volume 66.17228717 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.21032290 3.21032290 3.21032290 1 Ga Ga1 1 1.60516145 1.60516145 1.60516145 1 La La2 1 4.81548435 4.81548435 4.81548435 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeGaLaV
F-43m
216
cubic
-43m
7,915.078989
false
[CIF] data_LiGaTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55057012 _cell_length_b 5.55057012 _cell_length_c 5.55057012 _cell_angle_alpha 128.23646010 _cell_angle_beta 128.23646010 _cell_angle_gamma 76.24228413 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGaTe2 _chemical_formula_sum 'Li1 Ga1 Te2' _cell_volume 102.53812728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.36667394 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 2.42291017 -0.00000000 2.18333697 1 Te Te3 1 0.00000000 2.42291017 2.18333697 1 [/CIF]
GaLiTe2
I4/mmm
139
tetragonal
4/mmm
5,374.32418
false
[CIF] data_AlCu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67719899 _cell_length_b 3.67719899 _cell_length_c 3.67719899 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCu3 _chemical_formula_sum 'Al1 Cu3' _cell_volume 49.72232140 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 0.00000000 1.83859950 1.83859950 1 Cu Cu2 1 1.83859950 0.00000000 1.83859950 1 Cu Cu3 1 1.83859950 1.83859950 0.00000000 1 [/CIF]
AlCu3
Pm-3m
221
cubic
m-3m
7,267.676475
false
[CIF] data_TcAgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17486278 _cell_length_b 4.17486278 _cell_length_c 3.49344583 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAgSe _chemical_formula_sum 'Tc1 Ag1 Se1' _cell_volume 52.73137030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08743141 1.20517906 0.01211310 1 Se Se1 1 0.00000000 0.00000000 1.68690443 1 Tc Tc2 1 0.00000002 2.41035814 1.79442829 1 [/CIF]
AgSeTc
P3m1
156
trigonal
3m
8,997.929155
false
[CIF] data_BaHfPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39563717 _cell_length_b 4.31513582 _cell_length_c 8.13724452 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.07356107 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfPb2 _chemical_formula_sum 'Ba1 Hf1 Pb2' _cell_volume 119.06056532 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 -0.21815154 0.00000000 4.06276962 1 Pb Pb2 1 1.30238157 2.15756791 5.73897720 1 Pb Pb3 1 1.65695253 2.15756791 2.38656204 1 [/CIF]
BaHfPb2
P2/m
10
monoclinic
2/m
10,184.344853
false
[CIF] data_BeReOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82389858 _cell_length_b 4.36412111 _cell_length_c 4.43371165 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeReOs2 _chemical_formula_sum 'Be1 Re1 Os2' _cell_volume 54.64033261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 0.00000000 2.18206056 2.21685583 1 Os Os2 1 1.41194929 2.18206056 0.00000000 1 Re Re3 1 1.41194929 0.00000000 2.21685583 1 [/CIF]
BeOs2Re
Pmmm
47
orthorhombic
mmm
17,495.094299
false
[CIF] data_Cu2PtSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81864580 _cell_length_b 4.81864580 _cell_length_c 4.81864580 _cell_angle_alpha 132.90994415 _cell_angle_beta 132.90994415 _cell_angle_gamma 68.79561052 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2PtSe _chemical_formula_sum 'Cu2 Pt1 Se1' _cell_volume 58.92880896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92490275 -0.00000000 1.98801698 1 Cu Cu1 1 0.00000000 1.92490275 1.98801698 1 Pt Pt2 1 0.00000000 -0.00000000 3.97603397 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2PtSe
I4/mmm
139
tetragonal
4/mmm
11,303.503511
false
[CIF] data_TlGaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44984723 _cell_length_b 5.44984723 _cell_length_c 5.44984723 _cell_angle_alpha 146.17600700 _cell_angle_beta 131.12543446 _cell_angle_gamma 60.76051294 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGaTc2 _chemical_formula_sum 'Tl1 Ga1 Tc2' _cell_volume 67.21969158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.23222451 1 Tc Tc1 1 0.00000000 2.25458507 4.66643231 1 Tc Tc2 1 0.00000000 -0.00000000 2.18896658 1 Tl Tl3 1 -0.00000000 2.25458507 0.01692988 1 [/CIF]
GaTc2Tl
Imm2
44
orthorhombic
mm2
11,657.88505
false
[CIF] data_AlReP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29326719 _cell_length_b 4.29326719 _cell_length_c 4.29326719 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlReP2 _chemical_formula_sum 'Al1 Re1 P2' _cell_volume 55.95626949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 3.03579834 3.03579834 3.03579834 1 P P2 1 1.51789917 1.51789917 1.51789917 1 Re Re3 1 4.55369751 4.55369751 4.55369751 1 [/CIF]
AlP2Re
F-43m
216
cubic
-43m
8,164.843452
false
[CIF] data_ZrMn2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15949960 _cell_length_b 4.15949960 _cell_length_c 4.15949960 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMn2B _chemical_formula_sum 'Zr1 Mn2 B1' _cell_volume 50.88716593 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47060519 1.47060519 1.47060519 1 Mn Mn1 1 4.41181557 4.41181557 4.41181557 1 Mn Mn2 1 2.94121038 2.94121038 2.94121038 1 B B3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BMn2Zr
F-43m
216
cubic
-43m
6,915.037164
false
[CIF] data_V2GeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35504731 _cell_length_b 4.35504731 _cell_length_c 3.06657340 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2GeAs _chemical_formula_sum 'V2 Ge1 As1' _cell_volume 58.16197145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.17752366 2.17752366 0.00000000 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 2.17752366 1.53328670 1 V V3 1 2.17752366 0.00000000 1.53328670 1 [/CIF]
AsGeV2
P4/mmm
123
tetragonal
4/mmm
7,121.730695
false
[CIF] data_TiMnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16352763 _cell_length_b 3.46685951 _cell_length_c 5.24056636 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.58861919 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnP2 _chemical_formula_sum 'Ti1 Mn1 P2' _cell_volume 57.45385081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50912148 0.00000000 2.61927605 1 P P1 1 1.41875658 1.73342976 4.10150876 1 P P2 1 1.59948639 1.73342976 1.13704335 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnP2Ti
P2/m
10
monoclinic
2/m
4,761.701319
false
[CIF] data_BPdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28799377 _cell_length_b 6.28799377 _cell_length_c 6.28799377 _cell_angle_alpha 152.83887954 _cell_angle_beta 152.83887954 _cell_angle_gamma 38.78950866 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPdCl _chemical_formula_sum 'B1 Pd1 Cl1' _cell_volume 51.72092705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68198723 1 Cl Cl1 1 0.00000000 -0.00000000 3.42360549 1 Pd Pd2 1 0.00000000 0.00000000 6.75674606 1 [/CIF]
BClPd
I4mm
107
tetragonal
4mm
4,902.048473
false
[CIF] data_ZnFeTcHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39715415 _cell_length_b 4.39715415 _cell_length_c 4.39715415 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFeTcHg _chemical_formula_sum 'Zn1 Fe1 Tc1 Hg1' _cell_volume 60.11738424 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 4.66388628 4.66388628 4.66388628 1 Tc Tc2 1 3.10925752 3.10925752 3.10925752 1 Zn Zn3 1 1.55462876 1.55462876 1.55462876 1 [/CIF]
FeHgTcZn
F-43m
216
cubic
-43m
11,620.997779
false
[CIF] data_Na2HfMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97474941 _cell_length_b 2.97474941 _cell_length_c 11.65190198 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2HfMg _chemical_formula_sum 'Na2 Hf1 Mg1' _cell_volume 103.10924259 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.82595099 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.48737470 1.48737470 2.90777921 1 Na Na3 1 1.48737470 1.48737470 8.74412277 1 [/CIF]
HfMgNa2
P4/mmm
123
tetragonal
4/mmm
4,006.42881
false
[CIF] data_MoOsRhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57284403 _cell_length_b 4.57284403 _cell_length_c 4.57284403 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoOsRhPb _chemical_formula_sum 'Mo1 Os1 Rh1 Pb1' _cell_volume 67.61517358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 4.85023353 4.85023353 4.85023353 1 Pb Pb2 1 1.61674451 1.61674451 1.61674451 1 Rh Rh3 1 3.23348902 3.23348902 3.23348902 1 [/CIF]
MoOsPbRh
F-43m
216
cubic
-43m
14,644.227331
false
[CIF] data_CdSnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54515259 _cell_length_b 4.54515259 _cell_length_c 4.54515259 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSnIr _chemical_formula_sum 'Cd1 Sn1 Ir1' _cell_volume 66.39424044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60695411 1.60695411 1.60695411 1 Sn Sn2 1 4.82086233 4.82086233 4.82086233 1 [/CIF]
CdIrSn
F-43m
216
cubic
-43m
10,587.805248
false
[CIF] data_Na2TiGeO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71854400 _cell_length_b 6.71854400 _cell_length_c 5.23806000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TiGeO5 _chemical_formula_sum 'Na4 Ti2 Ge2 O10' _cell_volume 236.43991810 _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 Na Na0 1 5.03890800 1.67963600 2.61903000 1 Na Na1 1 5.03890800 5.03890800 2.61903000 1 Na Na2 1 1.67963600 5.03890800 2.61903000 1 Na Na3 1 1.67963600 1.67963600 2.61903000 1 Ti Ti4 1 3.35927200 0.00000000 0.37917793 1 Ti Ti5 1 0.00000000 3.35927200 4.85888207 1 Ge Ge6 1 3.35927200 3.35927200 0.00000000 1 Ge Ge7 1 0.00000000 0.00000000 0.00000000 1 O O8 1 1.45189080 0.00000000 1.01865600 1 O O9 1 5.26665320 0.00000000 1.01865600 1 O O10 1 3.35927200 4.81116280 1.01865600 1 O O11 1 3.35927200 1.90738120 1.01865600 1 O O12 1 0.00000000 1.45189080 4.21940400 1 O O13 1 4.81116280 3.35927200 4.21940400 1 O O14 1 1.90738120 3.35927200 4.21940400 1 O O15 1 0.00000000 5.26665320 4.21940400 1 O O16 1 0.00000000 3.35927200 1.33974908 1 O O17 1 3.35927200 0.00000000 3.89831092 1 [/CIF]
Ge2Na4O10Ti2
P4/nmm
129
tetragonal
4/mmm
3,462.152655
false
[CIF] data_VSnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87986413 _cell_length_b 2.87986413 _cell_length_c 8.69435966 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.76621076 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSnMo2 _chemical_formula_sum 'V1 Sn1 Mo2' _cell_volume 67.42321152 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.63601175 0.00000000 0.06280075 1 Mo Mo1 1 0.00000000 0.00000000 6.63901243 1 Sn Sn2 1 1.63601175 0.00000000 4.29623749 1 V V3 1 0.00000000 0.00000000 2.04348882 1 [/CIF]
Mo2SnV
Cmm2
35
orthorhombic
mm2
8,904.998554
false
[CIF] data_K3RbS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02997269 _cell_length_b 7.02997269 _cell_length_c 7.02997269 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3RbS _chemical_formula_sum 'K3 Rb1 S1' _cell_volume 347.42487796 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 3.51498635 0.00000000 3.51498635 1 K K1 1 3.51498635 3.51498635 0.00000000 1 K K2 1 0.00000000 3.51498635 3.51498635 1 S S3 1 0.00000000 0.00000000 0.00000000 1 Rb Rb4 1 3.51498635 3.51498635 3.51498635 1 [/CIF]
K3RbS
Pm-3m
221
cubic
m-3m
1,122.373769
false
[CIF] data_CoOF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90051570 _cell_length_b 3.90051570 _cell_length_c 3.90051570 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoOF3 _chemical_formula_sum 'Co1 O1 F3' _cell_volume 59.34253450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95025785 1.95025785 1.95025785 1 O O1 1 0.00000000 0.00000000 0.00000000 1 F F2 1 1.95025785 0.00000000 1.95025785 1 F F3 1 1.95025785 1.95025785 0.00000000 1 F F4 1 0.00000000 1.95025785 1.95025785 1 [/CIF]
CoF3O
Pm-3m
221
cubic
m-3m
3,691.639991
false
[CIF] data_K2TlCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42519080 _cell_length_b 5.42519080 _cell_length_c 5.42519080 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TlCo _chemical_formula_sum 'K2 Tl1 Co1' _cell_volume 112.90938784 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.83618921 3.83618921 3.83618921 1 K K1 1 1.91809460 1.91809460 1.91809460 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 5.75428381 5.75428381 5.75428381 1 [/CIF]
CoK2Tl
F-43m
216
cubic
-43m
5,022.577863
false
[CIF] data_TaVAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33096713 _cell_length_b 3.33096713 _cell_length_c 5.87970264 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaVAs2 _chemical_formula_sum 'Ta1 V1 As2' _cell_volume 65.23731177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66548356 1.66548356 5.57987544 1 As As1 1 0.00000000 0.00000000 1.70184230 1 Ta Ta2 1 1.66548356 1.66548356 2.85259506 1 V V3 1 0.00000000 0.00000000 4.56494380 1 [/CIF]
As2TaV
P4mm
99
tetragonal
4mm
9,716.553991
false
[CIF] data_NbSb3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15472849 _cell_length_b 5.15472849 _cell_length_c 5.15472849 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSb3Pd _chemical_formula_sum 'Nb1 Sb3 Pd1' _cell_volume 136.96745467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.57736424 0.00000000 2.57736424 1 Sb Sb1 1 2.57736424 2.57736424 0.00000000 1 Sb Sb2 1 0.00000000 2.57736424 2.57736424 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 Pd Pd4 1 2.57736424 2.57736424 2.57736424 1 [/CIF]
NbPdSb3
Pm-3m
221
cubic
m-3m
6,845.063694
false
[CIF] data_AlCoOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18991301 _cell_length_b 4.18991301 _cell_length_c 4.18991301 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCoOs2 _chemical_formula_sum 'Al1 Co1 Os2' _cell_volume 52.01157682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 2.96271590 2.96271590 2.96271590 1 Os Os2 1 4.44407385 4.44407385 4.44407385 1 Os Os3 1 1.48135795 1.48135795 1.48135795 1 [/CIF]
AlCoOs2
Fm-3m
225
cubic
m-3m
14,889.636351
false
[CIF] data_NaNi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.16408082 _cell_length_b 8.16408082 _cell_length_c 8.16408082 _cell_angle_alpha 21.87760120 _cell_angle_beta 21.87760120 _cell_angle_gamma 21.87760120 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNi2As _chemical_formula_sum 'Na1 Ni2 As1' _cell_volume 66.22764765 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.94852484 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 -0.00000000 0.00000000 18.39200464 1 Ni Ni3 1 -0.00000000 0.00000000 5.50504505 1 [/CIF]
AsNaNi2
R-3m
166
trigonal
-3m
5,398.214094
false
[CIF] data_FeWO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71532735 _cell_length_b 3.71532735 _cell_length_c 3.71532735 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeWO3 _chemical_formula_sum 'Fe1 W1 O3' _cell_volume 51.28510556 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 1.85766368 0.00000000 0.00000000 1 O O2 1 0.00000000 1.85766368 0.00000000 1 O O3 1 0.00000000 0.00000000 1.85766368 1 W W4 1 1.85766368 1.85766368 1.85766368 1 [/CIF]
FeO3W
Pm-3m
221
cubic
m-3m
9,314.774478
false
[CIF] data_KZnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81635282 _cell_length_b 4.81635282 _cell_length_c 4.81635282 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnSi _chemical_formula_sum 'K1 Zn1 Si1' _cell_volume 79.00232686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 3.40567574 3.40567574 3.40567574 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.70283787 1.70283787 1.70283787 1 [/CIF]
KSiZn
F-43m
216
cubic
-43m
2,786.34032
false
[CIF] data_YTc2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12596559 _cell_length_b 3.12596559 _cell_length_c 8.05158879 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTc2Sn _chemical_formula_sum 'Y1 Tc2 Sn1' _cell_volume 78.67739512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56298280 1.56298280 6.39505258 1 Tc Tc1 1 0.00000000 0.00000000 0.26077349 1 Tc Tc2 1 1.56298280 1.56298280 1.67147932 1 Y Y3 1 0.00000000 0.00000000 3.75007780 1 [/CIF]
SnTc2Y
P4mm
99
tetragonal
4mm
8,556.835904
false
[CIF] data_Al2CdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93478125 _cell_length_b 5.30230256 _cell_length_c 5.39728936 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CdHg _chemical_formula_sum 'Al2 Cd1 Hg1' _cell_volume 83.98774939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 1.46739062 0.00000000 2.69864468 1 Cd Cd2 1 1.46739062 2.65115128 0.00000000 1 Hg Hg3 1 0.00000000 2.65115128 2.69864468 1 [/CIF]
Al2CdHg
Pmmm
47
orthorhombic
mmm
7,255.322242
false
[CIF] data_CaCr2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51121730 _cell_length_b 4.51121730 _cell_length_c 2.84992165 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCr2Fe _chemical_formula_sum 'Ca1 Cr2 Fe1' _cell_volume 57.99898785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 0.00000000 2.25560865 1.42496083 1 Cr Cr2 1 2.25560865 0.00000000 1.42496083 1 Fe Fe3 1 2.25560865 2.25560865 0.00000000 1 [/CIF]
CaCr2Fe
P4/mmm
123
tetragonal
4/mmm
5,723.668842
false
[CIF] data_YBSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30531467 _cell_length_b 3.30531467 _cell_length_c 9.28600113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.32545195 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBSb2 _chemical_formula_sum 'Y1 B1 Sb2' _cell_volume 95.73420987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37059546 1 Sb Sb1 1 1.91175581 0.00000000 0.91945080 1 Sb Sb2 1 0.00000000 0.00000000 6.59163856 1 Y Y3 1 1.91175581 0.00000000 4.04731687 1 [/CIF]
BSb2Y
Cmm2
35
orthorhombic
mm2
5,953.547841
false
[CIF] data_TlCoRhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46593925 _cell_length_b 4.46593925 _cell_length_c 4.46593925 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCoRhW _chemical_formula_sum 'Tl1 Co1 Rh1 W1' _cell_volume 62.98301351 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 3.15789593 3.15789593 3.15789593 1 Tl Tl2 1 1.57894796 1.57894796 1.57894797 1 W W3 1 4.73684389 4.73684389 4.73684389 1 [/CIF]
CoRhTlW
F-43m
216
cubic
-43m
14,502.313891
false
[CIF] data_LaNbTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64987413 _cell_length_b 4.64987413 _cell_length_c 4.64987413 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbTc _chemical_formula_sum 'La1 Nb1 Tc1' _cell_volume 71.09001293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 3.28795753 3.28795753 3.28795753 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.93193630 4.93193630 4.93193630 1 [/CIF]
LaNbTc
F-43m
216
cubic
-43m
7,724.998483
false
[CIF] data_V3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17860814 _cell_length_b 3.17860814 _cell_length_c 6.25524112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Br _chemical_formula_sum 'V3 Br1' _cell_volume 63.20013959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.12762056 1 V V1 1 1.58930407 1.58930407 1.22729563 1 V V2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.58930407 1.58930407 5.02794549 1 [/CIF]
BrV3
P4/mmm
123
tetragonal
4/mmm
6,114.777098
false
[CIF] data_BeP2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58541307 _cell_length_b 5.58541307 _cell_length_c 5.63092876 _cell_angle_alpha 119.50614894 _cell_angle_beta 119.50614894 _cell_angle_gamma 36.62701656 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeP2Pb _chemical_formula_sum 'Be1 P2 Pb1' _cell_volume 89.59660498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.36587991 0.00000000 4.20956519 1 P P2 1 6.31787282 0.00000000 0.60431486 1 Pb Pb3 1 3.84187637 0.00000000 2.40694003 1 [/CIF]
BeP2Pb
C2/m
12
monoclinic
2/m
5,155.274116
false
[CIF] data_MgSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92096716 _cell_length_b 4.92096716 _cell_length_c 4.92096716 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSn2 _chemical_formula_sum 'Mg1 Sn2' _cell_volume 84.26290023 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 5.21947388 5.21947388 5.21947388 1 Sn Sn2 1 1.73982463 1.73982463 1.73982463 1 [/CIF]
MgSn2
Fm-3m
225
cubic
m-3m
5,157.721678
false
[CIF] data_NbCdSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11397859 _cell_length_b 3.11397859 _cell_length_c 9.57066218 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCdSn2 _chemical_formula_sum 'Nb1 Cd1 Sn2' _cell_volume 92.80539671 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78533109 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.55698930 1.55698930 2.14735033 1 Sn Sn3 1 1.55698930 1.55698930 7.42331185 1 [/CIF]
CdNbSn2
P4/mmm
123
tetragonal
4/mmm
7,921.766856
false
[CIF] data_YZnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68066223 _cell_length_b 4.68066223 _cell_length_c 4.68066223 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnAu _chemical_formula_sum 'Y1 Zn1 Au1' _cell_volume 72.51150311 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.96459200 4.96459200 4.96459200 1 Y Y1 1 3.30972800 3.30972800 3.30972800 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuYZn
F-43m
216
cubic
-43m
8,043.804623
false
[CIF] data_ZrGePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21095131 _cell_length_b 5.54657074 _cell_length_c 5.54657074 _cell_angle_alpha 32.13268042 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGePd2 _chemical_formula_sum 'Zr1 Ge1 Pd2' _cell_volume 68.90398832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.62303806 1 Pd Pd1 1 2.10547565 -0.00000000 1.94248176 1 Pd Pd2 1 0.00000000 -0.00000000 8.54706389 1 Zr Zr3 1 2.10547565 -0.00000000 4.67957338 1 [/CIF]
GePd2Zr
Amm2
38
orthorhombic
mm2
9,078.342441
false
[CIF] data_TlCuRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17599622 _cell_length_b 5.17599622 _cell_length_c 5.17599622 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCuRu4 _chemical_formula_sum 'Tl1 Cu1 Ru4' _cell_volume 98.05434769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 4.57821113 4.57821113 2.74175293 1 Ru Ru2 1 4.57821113 2.74175293 4.57821113 1 Ru Ru3 1 2.74175293 4.57821113 4.57821113 1 Ru Ru4 1 2.74175293 2.74175293 2.74175293 1 Tl Tl5 1 5.48997305 5.48997305 5.48997305 1 [/CIF]
CuRu4Tl
F-43m
216
cubic
-43m
11,383.786949
false
[CIF] data_NaAl2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01772724 _cell_length_b 4.01772724 _cell_length_c 4.42869963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAl2P _chemical_formula_sum 'Na1 Al2 P1' _cell_volume 71.48865497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00886362 0.00000000 2.21434981 1 Al Al1 1 0.00000000 2.00886362 2.21434981 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 P P3 1 2.00886362 2.00886362 0.00000000 1 [/CIF]
Al2NaP
P4/mmm
123
tetragonal
4/mmm
2,507.100219
false
[CIF] data_Th3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04996428 _cell_length_b 7.04996428 _cell_length_c 4.86948500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th3Ni _chemical_formula_sum 'Th6 Ni2' _cell_volume 209.59817544 _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 Ni Ni0 1 -0.00000000 4.07029878 1.21737125 1 Ni Ni1 1 3.52498214 2.03514939 3.65211375 1 Th Th2 1 1.62082992 5.00608537 3.65211375 1 Th Th3 1 -1.62082992 5.00608537 3.65211375 1 Th Th4 1 3.52498214 3.90672257 1.21737125 1 Th Th5 1 1.90415222 1.09936280 1.21737125 1 Th Th6 1 5.14581207 1.09936280 1.21737125 1 Th Th7 1 0.00000000 2.19872559 3.65211375 1 [/CIF]
Ni2Th6
P6_3/mmc
194
hexagonal
6/mmm
11,959.909064
false
[CIF] data_BaFeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93275098 _cell_length_b 3.93275098 _cell_length_c 5.00171153 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeP _chemical_formula_sum 'Ba1 Fe1 P1' _cell_volume 66.99496568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96637551 1.13528741 2.50085577 1 Fe Fe1 1 0.00000002 2.27057483 0.00000000 1 P P2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaFeP
P-6m2
187
hexagonal
-6m2
5,555.683041
false
[CIF] data_CaCdFe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11577293 _cell_length_b 5.11577293 _cell_length_c 5.11577293 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCdFe4 _chemical_formula_sum 'Ca1 Cd1 Fe4' _cell_volume 94.67139593 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.80869887 1.80869887 1.80869887 1 Fe Fe2 1 2.70579901 2.70579901 4.52899645 1 Fe Fe3 1 2.70579901 4.52899645 2.70579901 1 Fe Fe4 1 4.52899645 2.70579901 2.70579901 1 Fe Fe5 1 4.52899645 4.52899645 4.52899645 1 [/CIF]
CaCdFe4
F-43m
216
cubic
-43m
6,592.753305
false
[CIF] data_K2PdF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85354738 _cell_length_b 5.85354738 _cell_length_c 4.78871000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2PdF6 _chemical_formula_sum 'K2 Pd1 F6' _cell_volume 142.09782989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 -0.00000000 3.37954716 3.44050138 1 K K1 1 2.92677369 1.68977358 1.34820862 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 F F3 1 4.43393629 0.81961285 3.72265217 1 F F4 1 2.92677369 3.43009504 3.72265217 1 F F5 1 1.41961109 0.81961285 3.72265217 1 F F6 1 -1.50716260 4.24970789 1.06605783 1 F F7 1 0.00000000 1.63922569 1.06605783 1 F F8 1 1.50716260 4.24970789 1.06605783 1 [/CIF]
F6K2Pd
P-3m1
164
trigonal
-3m
3,489.487686
false
[CIF] data_TaCrFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73975182 _cell_length_b 2.73975182 _cell_length_c 6.34948651 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCrFe _chemical_formula_sum 'Ta1 Cr1 Fe1' _cell_volume 41.27543755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.19733531 1 Fe Fe1 1 -0.00000000 1.58179645 1.95493661 1 Ta Ta2 1 1.36987591 0.79089823 4.19721453 1 [/CIF]
CrFeTa
P3m1
156
trigonal
3m
11,618.178078
false
[CIF] data_NaSnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19482822 _cell_length_b 4.19482822 _cell_length_c 4.01276820 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSnPd2 _chemical_formula_sum 'Na1 Sn1 Pd2' _cell_volume 70.61101188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 0.00000000 2.09741411 2.00638410 1 Pd Pd2 1 2.09741411 0.00000000 2.00638410 1 Sn Sn3 1 2.09741411 2.09741411 0.00000000 1 [/CIF]
NaPd2Sn
P4/mmm
123
tetragonal
4/mmm
8,337.610832
false
[CIF] data_CrSnCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04502558 _cell_length_b 5.04502558 _cell_length_c 5.04502558 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSnCl2 _chemical_formula_sum 'Cr1 Sn1 Cl2' _cell_volume 90.79775704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78368590 1.78368590 1.78368590 1 Cl Cl1 1 5.35105770 5.35105770 5.35105770 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.56737180 3.56737180 3.56737180 1 [/CIF]
Cl2CrSn
Fm-3m
225
cubic
m-3m
4,418.681078
false
[CIF] data_Li2ZrTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23446799 _cell_length_b 3.23446799 _cell_length_c 7.80531702 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZrTl _chemical_formula_sum 'Li2 Zr1 Tl1' _cell_volume 81.65753430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61723400 1.61723400 0.24891804 1 Li Li1 1 0.00000000 0.00000000 1.90509344 1 Tl Tl2 1 1.61723400 1.61723400 3.66575044 1 Zr Zr3 1 0.00000000 0.00000000 5.88821361 1 [/CIF]
Li2TlZr
P4mm
99
tetragonal
4mm
6,293.590392
false
[CIF] data_LiMgOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49268967 _cell_length_b 4.49268967 _cell_length_c 4.49268967 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgOsAu _chemical_formula_sum 'Li1 Mg1 Os1 Au1' _cell_volume 64.12158729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.76521700 4.76521700 4.76521700 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.58840567 1.58840567 1.58840567 1 Os Os3 1 3.17681133 3.17681133 3.17681133 1 [/CIF]
AuLiMgOs
F-43m
216
cubic
-43m
10,836.291837
false
[CIF] data_SiNi6Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23258350 _cell_length_b 6.23258350 _cell_length_c 10.22290087 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.90221826 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiNi6Au _chemical_formula_sum 'Si4 Ni24 Au4' _cell_volume 373.39218639 _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 Au Au0 1 3.57921823 2.49509431 5.11145044 1 Au Au1 1 3.57921823 -2.49509431 5.11145044 1 Au Au2 1 3.57921823 0.00000000 2.54659535 1 Au Au3 1 3.57921823 0.00000000 7.67630552 1 Ni Ni4 1 3.57921823 2.61240030 2.41893054 1 Ni Ni5 1 5.46214694 -1.24625191 3.74944967 1 Ni Ni6 1 1.69628952 1.24625191 3.74944967 1 Ni Ni7 1 3.57921823 -2.61240030 2.41893054 1 Ni Ni8 1 1.69628952 -1.24625191 3.74944967 1 Ni Ni9 1 5.46214694 1.24625191 3.74944967 1 Ni Ni10 1 3.57921823 0.00000000 0.00000000 1 Ni Ni11 1 1.73775970 1.29970201 1.21081173 1 Ni Ni12 1 1.73775970 -1.29970201 1.21081173 1 Ni Ni13 1 3.57921823 2.61240030 7.80397033 1 Ni Ni14 1 5.42067676 -1.29970201 9.01208914 1 Ni Ni15 1 1.73775970 1.29970201 9.01208914 1 Ni Ni16 1 3.57921823 -2.61240030 7.80397033 1 Ni Ni17 1 1.73775970 -1.29970201 9.01208914 1 Ni Ni18 1 5.42067676 1.29970201 9.01208914 1 Ni Ni19 1 3.57921823 0.00000000 5.11145044 1 Ni Ni20 1 1.69628952 1.24625191 6.47345120 1 Ni Ni21 1 1.69628952 -1.24625191 6.47345120 1 Ni Ni22 1 0.00000000 0.00000000 0.00000000 1 Ni Ni23 1 5.42067676 1.29970201 1.21081173 1 Ni Ni24 1 5.42067676 -1.29970201 1.21081173 1 Ni Ni25 1 0.00000000 0.00000000 5.11145044 1 Ni Ni26 1 5.46214694 1.24625191 6.47345120 1 Ni Ni27 1 5.46214694 -1.24625191 6.47345120 1 Si Si28 1 3.57921823 2.50793690 0.00000000 1 Si Si29 1 3.57921823 -2.50793690 0.00000000 1 Si Si30 1 0.00000000 0.00000000 2.52275135 1 Si Si31 1 0.00000000 0.00000000 7.70014952 1 [/CIF]
Au4Ni24Si4
Cmmm
65
orthorhombic
mmm
10,267.851224
false
[CIF] data_YZr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29245129 _cell_length_b 4.47514451 _cell_length_c 5.81577820 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZr2Ru _chemical_formula_sum 'Y1 Zr2 Ru1' _cell_volume 85.69081191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.00000000 0.00000000 2.90788910 1 Y Y1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.64622564 2.23757225 1.59872567 1 Zr Zr3 1 1.64622564 2.23757225 4.21705253 1 [/CIF]
RuYZr2
Pmmm
47
orthorhombic
mmm
7,216.927212
false
[CIF] data_ZrCuNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21511681 _cell_length_b 3.21511681 _cell_length_c 5.39183113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCuNi2 _chemical_formula_sum 'Zr1 Cu1 Ni2' _cell_volume 55.73522939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.60755840 1.60755840 1.24475059 1 Ni Ni2 1 1.60755840 1.60755840 4.14708054 1 Zr Zr3 1 0.00000000 0.00000000 2.69591556 1 [/CIF]
CuNi2Zr
P4/mmm
123
tetragonal
4/mmm
8,108.742517
false
[CIF] data_Be2InFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15084540 _cell_length_b 4.15084540 _cell_length_c 4.15084540 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2InFe _chemical_formula_sum 'Be2 In1 Fe1' _cell_volume 50.57020064 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.40263640 4.40263640 4.40263640 1 Fe Fe2 1 2.93509093 2.93509093 2.93509093 1 In In3 1 1.46754547 1.46754547 1.46754547 1 [/CIF]
Be2FeIn
F-43m
216
cubic
-43m
6,195.797828
false
[CIF] data_InCuRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50265304 _cell_length_b 4.50265304 _cell_length_c 4.50265304 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCuRuAu _chemical_formula_sum 'In1 Cu1 Ru1 Au1' _cell_volume 64.54913871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59192825 1.59192825 1.59192825 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 3.18385650 3.18385650 3.18385650 1 Ru Ru3 1 4.77578475 4.77578475 4.77578475 1 [/CIF]
AuCuInRu
F-43m
216
cubic
-43m
12,255.496696
false
[CIF] data_NaCr2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24915438 _cell_length_b 5.24915438 _cell_length_c 5.24915438 _cell_angle_alpha 142.72022092 _cell_angle_beta 131.77854449 _cell_angle_gamma 62.48760043 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCr2Sn _chemical_formula_sum 'Na1 Cr2 Sn1' _cell_volume 64.58089932 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.67772985 0.00000000 2.28149163 1 Cr Cr1 1 0.00000000 2.14428674 2.20636739 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 -0.00000000 -0.00000000 4.48785902 1 [/CIF]
Cr2NaSn
Immm
71
orthorhombic
mmm
6,317.365004
false
[CIF] data_MoPbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15418085 _cell_length_b 3.15418085 _cell_length_c 9.28273532 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPbSe2 _chemical_formula_sum 'Mo1 Pb1 Se2' _cell_volume 92.35260495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.32373056 1 Pb Pb1 1 1.57709043 1.57709043 6.62605258 1 Se Se2 1 0.00000000 0.00000000 9.21217530 1 Se Se3 1 1.57709043 1.57709043 3.04487986 1 [/CIF]
MoPbSe2
P4mm
99
tetragonal
4mm
8,290.575223
false
[CIF] data_AgSbRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56184881 _cell_length_b 4.56184881 _cell_length_c 4.56184881 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSbRh2 _chemical_formula_sum 'Ag1 Sb1 Rh2' _cell_volume 67.12861175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22571423 3.22571423 3.22571423 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.61285711 1.61285711 1.61285711 1 Sb Sb3 1 4.83857135 4.83857135 4.83857135 1 [/CIF]
AgRh2Sb
F-43m
216
cubic
-43m
10,771.320661
false
[CIF] data_Na2CdB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20691234 _cell_length_b 4.26410639 _cell_length_c 5.79469411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CdB _chemical_formula_sum 'Na2 Cd1 B1' _cell_volume 79.24021332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 0.00000000 0.00000000 2.89734706 1 Na Na2 1 1.60345617 2.13205320 4.51463639 1 Na Na3 1 1.60345617 2.13205320 1.28005772 1 [/CIF]
BCdNa2
Pmmm
47
orthorhombic
mmm
3,545.747205
false
[CIF] data_YbPrU2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53947228 _cell_length_b 5.53947228 _cell_length_c 5.53947228 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbPrU2 _chemical_formula_sum 'Yb1 Pr1 U2' _cell_volume 120.19604605 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pr Pr0 1 0.00000000 0.00000000 0.00000000 1 U U1 1 1.95849921 1.95849921 1.95849921 1 U U2 1 5.87549762 5.87549762 5.87549762 1 Yb Yb3 1 3.91699841 3.91699841 3.91699841 1 [/CIF]
PrU2Yb
Fm-3m
225
cubic
m-3m
10,914.320698
false
[CIF] data_NaCaCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50300553 _cell_length_b 3.50300553 _cell_length_c 7.13518126 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaCu2 _chemical_formula_sum 'Na1 Ca1 Cu2' _cell_volume 87.55614992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56759063 1 Cu Cu1 1 1.75150277 1.75150277 5.26378511 1 Cu Cu2 1 1.75150277 1.75150277 1.87139615 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaCu2Na
P4/mmm
123
tetragonal
4/mmm
3,606.696394
false
[CIF] data_La3ScTa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49332274 _cell_length_b 5.49332274 _cell_length_c 5.49332274 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3ScTa _chemical_formula_sum 'La3 Sc1 Ta1' _cell_volume 165.76977402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 0.00000000 2.74666137 0.00000000 1 La La2 1 0.00000000 0.00000000 2.74666137 1 La La3 1 2.74666137 0.00000000 0.00000000 1 Ta Ta4 1 2.74666137 2.74666137 2.74666137 1 [/CIF]
La3ScTa
Pm-3m
221
cubic
m-3m
6,437.216656
false
[CIF] data_NaLa2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49836052 _cell_length_b 3.55165402 _cell_length_c 8.96321077 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.82801798 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLa2Mn _chemical_formula_sum 'Na1 La2 Mn1' _cell_volume 110.57771493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60911955 1.77582701 2.78803088 1 La La1 1 0.82360914 1.77582701 6.11160822 1 Mn Mn2 1 -0.53281591 0.00000000 4.44981955 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2MnNa
P2/m
10
monoclinic
2/m
5,342.108031
false
[CIF] data_LaHfFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54132613 _cell_length_b 6.54132613 _cell_length_c 6.54132613 _cell_angle_alpha 151.12823729 _cell_angle_beta 143.40170152 _cell_angle_gamma 47.27051463 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfFe2 _chemical_formula_sum 'La1 Hf1 Fe2' _cell_volume 80.28302017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63072913 0.00000000 0.49371739 1 Fe Fe1 1 -0.00000000 0.00000000 2.01229297 1 Hf Hf2 1 0.00000000 2.05383484 0.16116778 1 La La3 1 0.00000000 -0.00000000 9.31805139 1 [/CIF]
Fe2HfLa
Imm2
44
orthorhombic
mm2
8,875.017212
false
[CIF] data_TaPtW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99616644 _cell_length_b 4.99616644 _cell_length_c 5.04100056 _cell_angle_alpha 98.43074252 _cell_angle_beta 98.43074252 _cell_angle_gamma 32.09727352 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPtW2 _chemical_formula_sum 'Ta1 Pt1 W2' _cell_volume 66.07912313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 4.41692654 0.00000000 2.49099604 1 Ta Ta1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 7.09621952 0.00000000 1.27136218 1 W W3 1 1.73763357 0.00000000 3.71062991 1 [/CIF]
PtTaW2
C2/m
12
monoclinic
2/m
18,689.149802
false
[CIF] data_Al3V2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93063931 _cell_length_b 4.93063931 _cell_length_c 4.54020185 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3V2Si _chemical_formula_sum 'Al3 V2 Si1' _cell_volume 95.58995577 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -1.23265983 2.13502945 2.27010092 1 Al Al1 1 1.23265983 2.13502945 2.27010092 1 Al Al2 1 2.46531965 0.00000000 2.27010092 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 V V4 1 2.46531965 1.42335297 0.00000000 1 V V5 1 -0.00000000 2.84670593 0.00000000 1 [/CIF]
Al3SiV2
P6/mmm
191
hexagonal
6/mmm
3,663.908953
false
[CIF] data_Na2SbAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63989606 _cell_length_b 5.63989606 _cell_length_c 3.19382074 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.22712847 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2SbAs _chemical_formula_sum 'Na2 Sb1 As1' _cell_volume 93.35638156 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 1.55176969 -2.35459502 1.59691037 1 Na Na2 1 1.55176969 2.35459502 1.59691037 1 Sb Sb3 1 3.10353939 -0.00000000 0.00000000 1 [/CIF]
AsNa2Sb
Cmmm
65
orthorhombic
mmm
4,316.332221
false
[CIF] data_KBeSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76206468 _cell_length_b 3.76206468 _cell_length_c 7.92936785 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBeSb2 _chemical_formula_sum 'K1 Be1 Sb2' _cell_volume 112.22537931 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.87509934 1 K K1 1 1.88103234 1.88103234 5.97562204 1 Sb Sb2 1 0.00000000 0.00000000 0.46249323 1 Sb Sb3 1 1.88103234 1.88103234 2.58083717 1 [/CIF]
BeKSb2
P4mm
99
tetragonal
4mm
4,315.193659
false
[CIF] data_BeGeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12993837 _cell_length_b 4.12993837 _cell_length_c 2.94507365 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGeRu2 _chemical_formula_sum 'Be1 Ge1 Ru2' _cell_volume 50.23232752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06496918 2.06496918 0.00000000 1 Ru Ru2 1 2.06496918 0.00000000 1.47253682 1 Ru Ru3 1 0.00000000 2.06496918 1.47253682 1 [/CIF]
BeGeRu2
P4/mmm
123
tetragonal
4/mmm
9,381.369096
false
[CIF] data_BeBi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35177871 _cell_length_b 3.35177871 _cell_length_c 8.27361395 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeBi2Au _chemical_formula_sum 'Be1 Bi2 Au1' _cell_volume 92.94925834 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67588936 1.67588936 4.83376910 1 Be Be1 1 0.00000000 0.00000000 5.50740848 1 Bi Bi2 1 1.67588936 1.67588936 7.73643186 1 Bi Bi3 1 0.00000000 0.00000000 2.60642535 1 [/CIF]
AuBeBi2
P4mm
99
tetragonal
4mm
11,146.68388
false
[CIF] data_SrBeNbZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85726632 _cell_length_b 4.85726632 _cell_length_c 4.85726632 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeNbZn _chemical_formula_sum 'Sr1 Be1 Nb1 Zn1' _cell_volume 81.03278204 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 3.43460595 3.43460595 3.43460595 1 Sr Sr2 1 1.71730298 1.71730297 1.71730298 1 Zn Zn3 1 5.15190893 5.15190893 5.15190893 1 [/CIF]
BeNbSrZn
F-43m
216
cubic
-43m
5,223.839295
false