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_In2RuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20437823 _cell_length_b 3.20437823 _cell_length_c 7.95213094 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2RuSe _chemical_formula_sum 'In2 Ru1 Se1' _cell_volume 81.65279718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60218911 1.60218911 2.34837528 1 In In1 1 1.60218911 1.60218911 5.60375566 1 Ru Ru2 1 0.00000000 0.00000000 3.97606547 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2RuSe
P4/mmm
123
tetragonal
4/mmm
8,331.226545
false
[CIF] data_BaNiSn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29811685 _cell_length_b 6.29811685 _cell_length_c 6.29811685 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNiSn4 _chemical_formula_sum 'Ba1 Ni1 Sn4' _cell_volume 176.65142411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.68016170 6.68016170 6.68016169 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.33081490 5.57606736 5.57606736 1 Sn Sn3 1 5.57606736 5.57606736 3.33081490 1 Sn Sn4 1 5.57606736 3.33081490 5.57606736 1 Sn Sn5 1 3.33081490 3.33081490 3.33081490 1 [/CIF]
BaNiSn4
F-43m
216
cubic
-43m
6,306.147307
false
[CIF] data_MgNbCdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85422692 _cell_length_b 4.85422692 _cell_length_c 4.85422692 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNbCdHg _chemical_formula_sum 'Mg1 Nb1 Cd1 Hg1' _cell_volume 80.88076016 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.43245677 3.43245677 3.43245677 1 Hg Hg1 1 1.71622838 1.71622839 1.71622839 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 5.14868515 5.14868515 5.14868515 1 [/CIF]
CdHgMgNb
F-43m
216
cubic
-43m
8,832.563671
false
[CIF] data_TiTl2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79582847 _cell_length_b 5.79582847 _cell_length_c 4.91353976 _cell_angle_alpha 111.21802771 _cell_angle_beta 111.21802771 _cell_angle_gamma 32.28182062 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTl2Tc _chemical_formula_sum 'Ti1 Tl2 Tc1' _cell_volume 81.65637579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 4.33210840 0.00000000 2.17332722 1 Ti Ti1 1 8.28599708 0.00000000 1.28364172 1 Tl Tl2 1 0.08405948 0.00000000 0.08146360 1 Tl Tl3 1 1.22301104 0.00000000 3.28873622 1 [/CIF]
TcTiTl2
Cm
8
monoclinic
m
11,297.287347
false
[CIF] data_CdHgP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25862513 _cell_length_b 5.25862513 _cell_length_c 5.25862513 _cell_angle_alpha 131.87648211 _cell_angle_beta 131.87648211 _cell_angle_gamma 70.42418005 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdHgP2 _chemical_formula_sum 'Cd1 Hg1 P2' _cell_volume 79.00188407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.29641898 1 Hg Hg1 1 -0.00000000 2.14405250 2.14820949 1 P P2 1 0.00000000 0.00000000 0.00000000 1 P P3 1 2.14405250 -0.00000000 2.14820949 1 [/CIF]
CdHgP2
I-4m2
119
tetragonal
-42m
7,881.035742
false
[CIF] data_CaY2Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89734173 _cell_length_b 4.89734173 _cell_length_c 4.61648469 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaY2Ta _chemical_formula_sum 'Ca1 Y2 Ta1' _cell_volume 110.72156577 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 2.44867086 2.44867086 0.00000000 1 Y Y2 1 2.44867086 0.00000000 2.30824235 1 Y Y3 1 0.00000000 2.44867086 2.30824235 1 [/CIF]
CaTaY2
P4/mmm
123
tetragonal
4/mmm
5,981.550521
false
[CIF] data_ScMnZnFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32115935 _cell_length_b 4.32115935 _cell_length_c 4.32115935 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMnZnFe _chemical_formula_sum 'Sc1 Mn1 Zn1 Fe1' _cell_volume 57.05396724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.58328162 4.58328162 4.58328162 1 Mn Mn1 1 1.52776054 1.52776054 1.52776054 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.05552108 3.05552108 3.05552108 1 [/CIF]
FeMnScZn
F-43m
216
cubic
-43m
6,435.602715
false
[CIF] data_P2RhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89447465 _cell_length_b 4.89447465 _cell_length_c 2.87249369 _cell_angle_alpha 106.93538044 _cell_angle_beta 106.93538044 _cell_angle_gamma 105.44121936 _symmetry_Int_Tables_number 1 _chemical_formula_structural P2RhW _chemical_formula_sum 'P2 Rh1 W1' _cell_volume 58.15521019 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.79158043 -1.94724571 1.25925196 1 P P1 1 0.79158043 1.94724571 1.25925196 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 2.96459418 -0.00000000 0.00000000 1 [/CIF]
P2RhW
C2/m
12
monoclinic
2/m
9,956.431878
false
[CIF] data_FeRe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.12222526 _cell_length_b 8.12222526 _cell_length_c 8.12222526 _cell_angle_alpha 19.68081579 _cell_angle_beta 19.68081579 _cell_angle_gamma 19.68081579 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRe2P _chemical_formula_sum 'Fe1 Re2 P1' _cell_volume 53.14917606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.94374548 1 P P1 1 0.00000000 -0.00000000 -0.00000000 1 Re Re2 1 0.00000000 0.00000000 6.03123578 1 Re Re3 1 0.00000000 -0.00000000 17.85625518 1 [/CIF]
FePRe2
R-3m
166
trigonal
-3m
14,347.803642
false
[CIF] data_HgIr2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82577337 _cell_length_b 2.82577337 _cell_length_c 8.19848885 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgIr2Pt _chemical_formula_sum 'Hg1 Ir2 Pt1' _cell_volume 65.46489361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41288668 1.41288668 6.17572603 1 Ir Ir1 1 0.00000000 0.00000000 0.22297365 1 Ir Ir2 1 1.41288668 1.41288668 1.98125518 1 Pt Pt3 1 0.00000000 0.00000000 3.91777842 1 [/CIF]
HgIr2Pt
P4mm
99
tetragonal
4mm
19,787.70206
false
[CIF] data_InTcO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14425597 _cell_length_b 4.14425597 _cell_length_c 4.14425597 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTcO3 _chemical_formula_sum 'In1 Tc1 O3' _cell_volume 71.17700591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07212798 2.07212798 2.07212798 1 O O1 1 2.07212798 2.07212798 0.00000000 1 O O2 1 2.07212798 0.00000000 2.07212798 1 O O3 1 0.00000000 2.07212798 2.07212798 1 Tc Tc4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InO3Tc
Pm-3m
221
cubic
m-3m
6,105.908281
false
[CIF] data_LaDy2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25748914 _cell_length_b 5.25748914 _cell_length_c 5.25748914 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaDy2W _chemical_formula_sum 'La1 Dy2 W1' _cell_volume 102.75906761 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 1.85880311 1.85880311 1.85880311 1 Dy Dy1 1 5.57640933 5.57640933 5.57640933 1 La La2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.71760622 3.71760622 3.71760622 1 [/CIF]
Dy2LaW
Fm-3m
225
cubic
m-3m
10,467.267592
false
[CIF] data_YScMnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68442535 _cell_length_b 4.68442535 _cell_length_c 4.68442535 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YScMnW _chemical_formula_sum 'Y1 Sc1 Mn1 W1' _cell_volume 72.68653550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31238893 3.31238893 3.31238893 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.96858340 4.96858340 4.96858340 1 Y Y3 1 1.65619447 1.65619447 1.65619447 1 [/CIF]
MnScWY
F-43m
216
cubic
-43m
8,513.034127
false
[CIF] data_ReSn2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65385465 _cell_length_b 4.65385465 _cell_length_c 3.19635827 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSn2B _chemical_formula_sum 'Re1 Sn2 B1' _cell_volume 69.22788802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 2.32692733 2.32692733 0.00000000 1 Sn Sn2 1 2.32692733 0.00000000 1.59817914 1 Sn Sn3 1 0.00000000 2.32692733 1.59817914 1 [/CIF]
BReSn2
P4/mmm
123
tetragonal
4/mmm
10,420.674264
false
[CIF] data_Li2SbP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77480091 _cell_length_b 4.77480091 _cell_length_c 4.77480091 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2SbP _chemical_formula_sum 'Li2 Sb1 P1' _cell_volume 76.97519631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 5.06444115 5.06444115 5.06444115 1 P P2 1 3.37629410 3.37629410 3.37629410 1 Sb Sb3 1 1.68814705 1.68814705 1.68814705 1 [/CIF]
Li2PSb
F-43m
216
cubic
-43m
3,594.300439
false
[CIF] data_LuNp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74068491 _cell_length_b 4.74068491 _cell_length_c 4.74068491 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuNp _chemical_formula_sum 'Lu1 Np1' _cell_volume 75.33699196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 0.00000000 0.00000000 0.00000000 1 Np Np1 1 5.02825568 5.02825568 5.02825568 1 [/CIF]
LuNp
F-43m
216
cubic
-43m
9,080.359432
false
[CIF] data_Ga2TcBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95851419 _cell_length_b 4.95851419 _cell_length_c 2.93671763 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2TcBr _chemical_formula_sum 'Ga2 Tc1 Br1' _cell_volume 72.20467396 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 0.00000000 2.47925709 1.46835881 1 Ga Ga2 1 2.47925709 0.00000000 1.46835881 1 Tc Tc3 1 2.47925709 2.47925709 0.00000000 1 [/CIF]
BrGa2Tc
P4/mmm
123
tetragonal
4/mmm
7,319.150192
false
[CIF] data_BaInPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38569243 _cell_length_b 5.38569243 _cell_length_c 5.38569243 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaInPtPb _chemical_formula_sum 'Ba1 In1 Pt1 Pb1' _cell_volume 110.46117179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.80825964 3.80825964 3.80825964 1 In In1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.71238946 5.71238946 5.71238946 1 Pt Pt3 1 1.90412982 1.90412982 1.90412982 1 [/CIF]
BaInPbPt
F-43m
216
cubic
-43m
9,837.890575
false
[CIF] data_MnAl2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79055431 _cell_length_b 4.79055431 _cell_length_c 2.74366138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.08613906 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAl2W _chemical_formula_sum 'Mn1 Al2 W1' _cell_volume 59.50407959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38947828 -1.95107733 1.37183069 1 Al Al1 1 1.38947828 1.95107733 1.37183069 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 2.77895656 -0.00000000 0.00000000 1 [/CIF]
Al2MnW
Cmmm
65
orthorhombic
mmm
8,170.13113
false
[CIF] data_LaZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54075518 _cell_length_b 4.54075518 _cell_length_c 7.85673100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZnGa _chemical_formula_sum 'La2 Zn2 Ga2' _cell_volume 140.29063776 _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 2.62160622 5.89254825 1 Ga Ga1 1 2.27037759 1.31080311 1.96418275 1 La La2 1 0.00000000 0.00000000 3.92836550 1 La La3 1 0.00000000 0.00000000 0.00000000 1 Zn Zn4 1 2.27037759 1.31080311 5.89254825 1 Zn Zn5 1 0.00000000 2.62160622 1.96418275 1 [/CIF]
Ga2La2Zn2
P6_3/mmc
194
hexagonal
6/mmm
6,486.523873
false
[CIF] data_CdPb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94569195 _cell_length_b 4.94569195 _cell_length_c 4.93910569 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdPb2Br _chemical_formula_sum 'Cd1 Pb2 Br1' _cell_volume 120.80987748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 2.47284598 2.47284598 0.00000000 1 Pb Pb2 1 2.47284598 0.00000000 2.46955284 1 Pb Pb3 1 0.00000000 2.47284598 2.46955284 1 [/CIF]
BrCdPb2
P4/mmm
123
tetragonal
4/mmm
8,339.334339
false
[CIF] data_VGeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34821256 _cell_length_b 4.34821256 _cell_length_c 4.34821256 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGeIr2 _chemical_formula_sum 'V1 Ge1 Ir2' _cell_volume 58.13227261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07465059 3.07465059 3.07465059 1 Ir Ir1 1 1.53732529 1.53732529 1.53732529 1 Ir Ir2 1 4.61197588 4.61197588 4.61197588 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeIr2V
Fm-3m
225
cubic
m-3m
14,511.381482
false
[CIF] data_La2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35159682 _cell_length_b 6.35159682 _cell_length_c 8.99444435 _cell_angle_alpha 114.61140128 _cell_angle_beta 114.61140128 _cell_angle_gamma 34.36994643 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Ga _chemical_formula_sum 'La4 Ga2' _cell_volume 184.35933338 _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 6.89067835 -0.00000000 6.56676363 1 Ga Ga1 1 1.32450624 0.00000000 1.52809156 1 La La2 1 -0.35174627 0.00000000 4.41006246 1 La La3 1 4.66156053 -0.00000000 1.05433829 1 La La4 1 3.55362406 0.00000000 7.04051690 1 La La5 1 8.56693086 -0.00000000 3.68479273 1 [/CIF]
Ga2La4
C2/m
12
monoclinic
2/m
6,260.531255
false
[CIF] data_HfReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47368289 _cell_length_b 4.47368289 _cell_length_c 2.84373604 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfReOs _chemical_formula_sum 'Hf1 Re1 Os1' _cell_volume 49.28903395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.84303241 1 Os Os1 1 2.23684144 1.29144101 0.94594792 1 Re Re2 1 -0.00000000 2.58288202 1.89849174 1 [/CIF]
HfOsRe
P3m1
156
trigonal
3m
18,695.395095
false
[CIF] data_NbInIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42580857 _cell_length_b 4.42580857 _cell_length_c 4.42580857 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbInIr _chemical_formula_sum 'Nb1 In1 Ir1' _cell_volume 61.30033918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56475963 1.56475963 1.56475963 1 Ir Ir1 1 3.12951925 3.12951925 3.12951925 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InIrNb
F-43m
216
cubic
-43m
10,833.843576
false
[CIF] data_Nb2SnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28979226 _cell_length_b 5.28979226 _cell_length_c 5.28979226 _cell_angle_alpha 131.95421579 _cell_angle_beta 131.95421579 _cell_angle_gamma 70.30134768 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2SnBr _chemical_formula_sum 'Nb2 Sn1 Br1' _cell_volume 80.23134328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 2.15348295 -0.00000000 2.16257512 1 Nb Nb2 1 0.00000000 -0.00000000 4.32515023 1 Sn Sn3 1 -0.00000000 2.15348295 2.16257512 1 [/CIF]
BrNb2Sn
I-4m2
119
tetragonal
-42m
7,956.437312
false
[CIF] data_Cs2MnF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51257000 _cell_length_b 6.51257000 _cell_length_c 4.30648600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2MnF5 _chemical_formula_sum 'Cs2 Mn1 F5' _cell_volume 182.65343682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 3.25628500 0.00000000 0.00000000 1 Cs Cs1 1 0.00000000 3.25628500 0.00000000 1 Mn Mn2 1 0.00000000 0.00000000 2.15324300 1 F F3 1 5.16591380 5.16591380 2.15324300 1 F F4 1 5.16591380 1.34665620 2.15324300 1 F F5 1 1.34665620 5.16591380 2.15324300 1 F F6 1 0.00000000 0.00000000 0.00000000 1 F F7 1 1.34665620 1.34665620 2.15324300 1 [/CIF]
Cs2F5Mn
P4/mmm
123
tetragonal
4/mmm
3,779.584582
false
[CIF] data_BaYTa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21087430 _cell_length_b 5.21087430 _cell_length_c 5.21087430 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYTa2 _chemical_formula_sum 'Ba1 Y1 Ta2' _cell_volume 100.04993063 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.52696683 5.52696683 5.52696683 1 Ta Ta1 1 1.84232227 1.84232227 1.84232227 1 Ta Ta2 1 3.68464455 3.68464455 3.68464455 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaTa2Y
F-43m
216
cubic
-43m
9,761.231487
false
[CIF] data_BeSnAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69947285 _cell_length_b 4.69947285 _cell_length_c 4.69947285 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSnAu2 _chemical_formula_sum 'Be1 Sn1 Au2' _cell_volume 73.38924787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32302912 3.32302912 3.32302912 1 Au Au1 1 1.66151456 1.66151456 1.66151456 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 4.98454368 4.98454368 4.98454368 1 [/CIF]
Au2BeSn
F-43m
216
cubic
-43m
11,803.214549
false
[CIF] data_AgPPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62118388 _cell_length_b 3.62118388 _cell_length_c 7.40837494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgPPb2 _chemical_formula_sum 'Ag1 P1 Pb2' _cell_volume 97.14581829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.70418747 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 1.81059194 1.81059194 1.73764234 1 Pb Pb3 1 1.81059194 1.81059194 5.67073260 1 [/CIF]
AgPPb2
P4/mmm
123
tetragonal
4/mmm
9,456.710617
false
[CIF] data_CuRe2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07541791 _cell_length_b 3.07541791 _cell_length_c 6.74308917 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRe2Sn _chemical_formula_sum 'Cu1 Re2 Sn1' _cell_volume 63.77745444 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.17478689 1 Re Re1 1 1.53770896 1.53770896 6.74042828 1 Re Re2 1 0.00000000 0.00000000 1.47618515 1 Sn Sn3 1 1.53770896 1.53770896 3.46632261 1 [/CIF]
CuRe2Sn
P4mm
99
tetragonal
4mm
14,441.642618
false
[CIF] data_ScAgPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28510995 _cell_length_b 5.28510995 _cell_length_c 3.49607480 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.28593555 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAgPb2 _chemical_formula_sum 'Sc1 Ag1 Pb2' _cell_volume 97.57600381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.66184800 -0.00000000 0.00000000 1 Pb Pb1 1 1.83092400 -1.90546953 1.74803740 1 Pb Pb2 1 1.83092400 1.90546952 1.74803740 1 Sc Sc3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
AgPb2Sc
Cmmm
65
orthorhombic
mmm
9,652.96549
false
[CIF] data_BaSrIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11740920 _cell_length_b 5.11740920 _cell_length_c 5.11740920 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrIr2 _chemical_formula_sum 'Ba1 Sr1 Ir2' _cell_volume 94.76226656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80927737 1.80927738 1.80927738 1 Ir Ir1 1 5.42783213 5.42783213 5.42783213 1 Ir Ir2 1 3.61855475 3.61855475 3.61855475 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaIr2Sr
F-43m
216
cubic
-43m
10,678.311038
false
[CIF] data_CaAg2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92179106 _cell_length_b 5.92179106 _cell_length_c 5.92179106 _cell_angle_alpha 148.71622335 _cell_angle_beta 132.72393724 _cell_angle_gamma 57.78670971 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAg2Ir _chemical_formula_sum 'Ca1 Ag2 Ir1' _cell_volume 78.62162244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59665644 0.00000000 2.88480806 1 Ag Ag1 1 0.00000000 2.37438477 2.29984184 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 0.00000000 0.00000000 5.18464990 1 [/CIF]
Ag2CaIr
Immm
71
orthorhombic
mmm
9,462.71038
false
[CIF] data_FeGeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20504593 _cell_length_b 4.20504593 _cell_length_c 3.73724563 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeGeSb _chemical_formula_sum 'Fe1 Ge1 Sb1' _cell_volume 57.23000220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.70385397 1 Ge Ge1 1 -0.00000000 2.42778440 0.59969678 1 Sb Sb2 1 2.10252297 1.21389220 2.43369488 1 [/CIF]
FeGeSb
P3m1
156
trigonal
3m
7,260.90481
false
[CIF] data_BeZnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03102534 _cell_length_b 6.03102534 _cell_length_c 6.03102534 _cell_angle_alpha 144.63362649 _cell_angle_beta 144.63362649 _cell_angle_gamma 50.88084172 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeZnTe _chemical_formula_sum 'Be1 Zn1 Te1' _cell_volume 73.11043605 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 -0.00000000 -0.00000000 9.66145892 1 Te Te1 1 0.00000000 -0.00000000 4.71672811 1 Zn Zn2 1 -0.00000000 -0.00000000 7.40665965 1 [/CIF]
BeTeZn
I4mm
107
tetragonal
4mm
4,587.79796
false
[CIF] data_BaLi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45132835 _cell_length_b 7.45132835 _cell_length_c 7.45132835 _cell_angle_alpha 147.14849285 _cell_angle_beta 130.37342853 _cell_angle_gamma 60.80090011 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLi _chemical_formula_sum 'Ba2 Li2' _cell_volume 169.38021402 _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 2.10703168 -1.56352179 5.12343060 1 Ba Ba1 1 0.00000000 4.69056537 1.30341234 1 Li Li2 1 0.00000000 1.56352179 4.34411150 1 Li Li3 1 2.10703168 1.56352179 2.08273144 1 [/CIF]
Ba2Li2
Imma
74
orthorhombic
mmm
2,828.696981
false
[CIF] data_MnAgW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14311734 _cell_length_b 5.14311734 _cell_length_c 5.14311734 _cell_angle_alpha 144.03769420 _cell_angle_beta 129.77031366 _cell_angle_gamma 63.31307851 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAgW2 _chemical_formula_sum 'Mn1 Ag1 W2' _cell_volume 60.69156615 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.37787009 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 -0.00000000 2.18291390 2.37912084 1 W W3 1 1.58770158 -0.00000000 1.99874925 1 [/CIF]
AgMnW2
Immm
71
orthorhombic
mmm
14,514.259393
false
[CIF] data_Hf2SbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58820433 _cell_length_b 3.58820433 _cell_length_c 6.22690839 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2SbW _chemical_formula_sum 'Hf2 Sb1 W1' _cell_volume 80.17275513 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.79410216 1.79410216 4.60263123 1 Hf Hf1 1 1.79410216 1.79410216 1.62427716 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.11345420 1 [/CIF]
Hf2SbW
P4/mmm
123
tetragonal
4/mmm
13,723.364914
false
[CIF] data_TlFeNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82728080 _cell_length_b 3.34373126 _cell_length_c 5.78580222 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlFeNi2 _chemical_formula_sum 'Tl1 Fe1 Ni2' _cell_volume 54.69704866 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.41364040 1.67186563 1.19067482 1 Ni Ni2 1 1.41364040 1.67186563 4.59512740 1 Tl Tl3 1 0.00000000 0.00000000 2.89290111 1 [/CIF]
FeNi2Tl
Pmmm
47
orthorhombic
mmm
11,463.988684
false
[CIF] data_Ti2TcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11746267 _cell_length_b 3.11746267 _cell_length_c 6.38276685 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2TcW _chemical_formula_sum 'Ti2 Tc1 W1' _cell_volume 62.03138876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 0.00000000 0.00000000 0.00000000 1 Ti Ti1 1 1.55873134 1.55873134 1.53028010 1 Ti Ti2 1 1.55873134 1.55873134 4.85248675 1 W W3 1 0.00000000 0.00000000 3.19138343 1 [/CIF]
TcTi2W
P4/mmm
123
tetragonal
4/mmm
10,131.663511
false
[CIF] data_Na2CrSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20583207 _cell_length_b 3.20583207 _cell_length_c 8.63768961 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CrSe _chemical_formula_sum 'Na2 Cr1 Se1' _cell_volume 88.77263936 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.85419128 1 Na Na1 1 1.60291604 1.60291604 8.18789643 1 Na Na2 1 0.00000000 0.00000000 2.63315079 1 Se Se3 1 1.60291604 1.60291604 4.91898561 1 [/CIF]
CrNa2Se
P4mm
99
tetragonal
4mm
3,309.706681
false
[CIF] data_MnSiSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41619326 _cell_length_b 3.66279228 _cell_length_c 5.81851085 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSiSe2 _chemical_formula_sum 'Mn1 Si1 Se2' _cell_volume 72.80589922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70809663 0.00000000 2.90925543 1 Se Se1 1 1.70809663 1.83139614 0.00000000 1 Se Se2 1 0.00000000 1.83139614 2.90925543 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnSe2Si
Pmmm
47
orthorhombic
mmm
5,495.381193
false
[CIF] data_CaGaAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60490571 _cell_length_b 4.60490571 _cell_length_c 3.94300986 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGaAu2 _chemical_formula_sum 'Ca1 Ga1 Au2' _cell_volume 83.61214155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30245286 0.00000000 1.97150493 1 Au Au1 1 0.00000000 2.30245286 1.97150493 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 2.30245286 2.30245286 0.00000000 1 [/CIF]
Au2CaGa
P4/mmm
123
tetragonal
4/mmm
10,004.188314
false
[CIF] data_MnTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.29039489 _cell_length_b 11.29039489 _cell_length_c 11.29039489 _cell_angle_alpha 166.17516527 _cell_angle_beta 166.17516527 _cell_angle_gamma 19.59929269 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTc2 _chemical_formula_sum 'Mn2 Tc4' _cell_volume 82.16946168 _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 Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 0.00000000 1.35882149 5.56282808 1 Tc Tc2 1 1.35882149 -0.00000000 3.90291078 1 Tc Tc3 1 1.35882150 -0.00000000 7.22274538 1 Tc Tc4 1 0.00000000 -0.00000000 9.46573886 1 Tc Tc5 1 -0.00000000 0.00000000 12.78557346 1 [/CIF]
Mn2Tc4
I4_1/amd
141
tetragonal
4/mmm
10,215.522395
false
[CIF] data_NaP2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35466794 _cell_length_b 4.35466794 _cell_length_c 4.35466794 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaP2Ir _chemical_formula_sum 'Na1 P2 Ir1' _cell_volume 58.39156753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.07921523 3.07921523 3.07921523 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 4.61882285 4.61882285 4.61882285 1 P P3 1 1.53960761 1.53960761 1.53960761 1 [/CIF]
IrNaP2
Fm-3m
225
cubic
m-3m
7,881.712222
false
[CIF] data_La2ZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.15485597 _cell_length_b 8.15485597 _cell_length_c 8.15485597 _cell_angle_alpha 29.23740680 _cell_angle_beta 29.23740680 _cell_angle_gamma 29.23740680 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2ZnRu _chemical_formula_sum 'La2 Zn1 Ru1' _cell_volume 114.47069408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 -0.00000000 5.47045700 1 La La1 1 0.00000000 0.00000000 17.93216147 1 Ru Ru2 1 -0.00000000 -0.00000000 11.70130924 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2RuZn
R-3m
166
trigonal
-3m
6,452.148789
false
[CIF] data_HfTaMnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46809320 _cell_length_b 4.46809320 _cell_length_c 4.46809320 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaMnRu _chemical_formula_sum 'Hf1 Ta1 Mn1 Ru1' _cell_volume 63.07418860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 4.73912850 4.73912850 4.73912850 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 3.15941900 3.15941900 3.15941900 1 Ta Ta3 1 1.57970950 1.57970950 1.57970950 1 [/CIF]
HfMnRuTa
F-43m
216
cubic
-43m
13,570.021497
false
[CIF] data_Fe2BTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84630911 _cell_length_b 2.84630911 _cell_length_c 6.70062747 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2BTe _chemical_formula_sum 'Fe2 B1 Te1' _cell_volume 54.28496962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 1.42315455 1.42315455 1.09189606 1 Fe Fe2 1 1.42315455 1.42315455 5.60873141 1 Te Te3 1 0.00000000 0.00000000 3.35031373 1 [/CIF]
BFe2Te
P4/mmm
123
tetragonal
4/mmm
7,650.413808
false
[CIF] data_ScSnPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67564029 _cell_length_b 4.67564029 _cell_length_c 4.67564029 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSnPt2 _chemical_formula_sum 'Sc1 Sn1 Pt2' _cell_volume 72.27835825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.95926543 4.95926543 4.95926543 1 Pt Pt1 1 1.65308848 1.65308848 1.65308848 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.30617696 3.30617696 3.30617696 1 [/CIF]
Pt2ScSn
Fm-3m
225
cubic
m-3m
12,724.233543
false
[CIF] data_YZn2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32827415 _cell_length_b 3.32827415 _cell_length_c 6.64952018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZn2Os _chemical_formula_sum 'Y1 Zn2 Os1' _cell_volume 73.65945347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66413707 1.66413707 3.04400392 1 Y Y1 1 0.00000000 0.00000000 4.76352801 1 Zn Zn2 1 1.66413707 1.66413707 0.38685332 1 Zn Zn3 1 0.00000000 0.00000000 1.77989502 1 [/CIF]
OsYZn2
P4mm
99
tetragonal
4mm
9,240.471386
false
[CIF] data_ZrReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14730351 _cell_length_b 6.94125234 _cell_length_c 2.83047377 _cell_angle_alpha 82.52983433 _cell_angle_beta 74.35013476 _cell_angle_gamma 23.12003091 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrReTc _chemical_formula_sum 'Zr1 Re1 Tc1' _cell_volume 50.43870883 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 1.59822063 2.33608060 0.08940320 1 Tc Tc1 1 1.59822063 2.33608060 8.92664405 1 Zr Zr2 1 1.59822063 2.33608060 4.49345680 1 [/CIF]
ReTcZr
Fmm2
42
orthorhombic
mm2
12,389.742666
false
[CIF] data_ReO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78191805 _cell_length_b 3.78191805 _cell_length_c 3.78191805 _cell_angle_alpha 41.49334243 _cell_angle_beta 41.49334243 _cell_angle_gamma 41.49334243 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReO _chemical_formula_sum 'Re1 O1' _cell_volume 21.45632646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 -0.00000000 -0.00000000 5.17660050 1 [/CIF]
ORe
R-3m
166
trigonal
-3m
15,649.071792
false
[CIF] data_La2MnBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97394145 _cell_length_b 4.97394145 _cell_length_c 3.59098504 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MnBe _chemical_formula_sum 'La2 Mn1 Be1' _cell_volume 88.84130572 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 0.00000000 2.48697072 1.79549252 1 La La2 1 2.48697072 0.00000000 1.79549252 1 Mn Mn3 1 2.48697072 2.48697072 0.00000000 1 [/CIF]
BeLa2Mn
P4/mmm
123
tetragonal
4/mmm
6,388.200098
false
[CIF] data_ZnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49798448 _cell_length_b 4.49798448 _cell_length_c 4.49798448 _cell_angle_alpha 36.36228472 _cell_angle_beta 36.36228472 _cell_angle_gamma 36.36228472 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnIr _chemical_formula_sum 'Zn1 Ir1' _cell_volume 28.63007576 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 -0.00000000 -0.00000000 6.29384626 1 Zn Zn1 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
IrZn
R-3m
166
trigonal
-3m
14,940.578064
false
[CIF] data_BeNbCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03450763 _cell_length_b 5.03450763 _cell_length_c 5.03450763 _cell_angle_alpha 147.85737336 _cell_angle_beta 147.85737336 _cell_angle_gamma 46.09595637 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbCo _chemical_formula_sum 'Be1 Nb1 Co1' _cell_volume 35.99482537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.99172556 1 Co Co1 1 -0.00000000 0.00000000 3.34429381 1 Nb Nb2 1 0.00000000 -0.00000000 6.19454012 1 [/CIF]
BeCoNb
I4mm
107
tetragonal
4mm
7,420.874731
false
[CIF] data_Hg4TePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21193634 _cell_length_b 6.21193634 _cell_length_c 6.21193634 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg4TePb _chemical_formula_sum 'Hg4 Te1 Pb1' _cell_volume 169.49855157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.49199030 5.49199030 3.29301432 1 Hg Hg1 1 5.49199030 3.29301432 5.49199030 1 Hg Hg2 1 3.29301432 5.49199030 5.49199030 1 Hg Hg3 1 3.29301432 3.29301432 3.29301432 1 Pb Pb4 1 6.58875347 6.58875347 6.58875346 1 Te Te5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg4PbTe
F-43m
216
cubic
-43m
11,140.499948
false
[CIF] data_SrZrCdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21439910 _cell_length_b 5.21439910 _cell_length_c 5.21439910 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrCdAu _chemical_formula_sum 'Sr1 Zr1 Cd1 Au1' _cell_volume 100.25309880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.53070544 5.53070544 5.53070544 1 Cd Cd1 1 1.84356848 1.84356848 1.84356848 1 Sr Sr2 1 0.00000000 -0.00000000 0.00000000 1 Zr Zr3 1 3.68713696 3.68713696 3.68713696 1 [/CIF]
AuCdSrZr
F-43m
216
cubic
-43m
8,086.642689
false
[CIF] data_HfAsOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51414422 _cell_length_b 4.51414422 _cell_length_c 4.51414422 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAsOs2 _chemical_formula_sum 'Hf1 As1 Os2' _cell_volume 65.04460677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.19198199 3.19198199 3.19198199 1 Os Os2 1 1.59599099 1.59599099 1.59599099 1 Os Os3 1 4.78797299 4.78797299 4.78797298 1 [/CIF]
AsHfOs2
Fm-3m
225
cubic
m-3m
16,182.25718
false
[CIF] data_Y3(Ga3Ni)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06543641 _cell_length_b 8.06543641 _cell_length_c 8.06543641 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3(Ga3Ni)2 _chemical_formula_sum 'Y6 Ga12 Ni4' _cell_volume 403.88871886 _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 4.65658188 1.61148611 1.61148611 1 Ga Ga1 1 4.65658188 -1.61148611 1.61148611 1 Ga Ga2 1 4.65658188 1.61148611 -1.61148611 1 Ga Ga3 1 0.00000000 3.04509577 3.04509577 1 Ga Ga4 1 -1.61148611 4.65658188 1.61148611 1 Ga Ga5 1 3.04509577 -0.00000000 3.04509577 1 Ga Ga6 1 1.61148611 4.65658188 1.61148611 1 Ga Ga7 1 1.61148611 4.65658188 -1.61148611 1 Ga Ga8 1 -1.61148611 1.61148611 4.65658188 1 Ga Ga9 1 1.61148611 1.61148611 4.65658188 1 Ga Ga10 1 3.04509577 3.04509577 -0.00000000 1 Ga Ga11 1 1.61148611 -1.61148611 4.65658188 1 Ni Ni12 1 -2.32829094 2.32829094 2.32829094 1 Ni Ni13 1 2.32829094 -2.32829094 2.32829094 1 Ni Ni14 1 2.32829094 2.32829094 -2.32829094 1 Ni Ni15 1 2.32829094 2.32829094 2.32829094 1 Y Y16 1 2.57233550 0.00000000 -0.00000000 1 Y Y17 1 6.74082826 0.00000000 -0.00000000 1 Y Y18 1 0.00000000 6.74082826 -0.00000000 1 Y Y19 1 0.00000000 2.57233550 -0.00000000 1 Y Y20 1 0.00000000 -0.00000000 6.74082826 1 Y Y21 1 0.00000000 -0.00000000 2.57233550 1 [/CIF]
Ga12Ni4Y6
Im-3m
229
cubic
m-3m
6,598.287145
false
[CIF] data_AgTeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78378359 _cell_length_b 4.78378359 _cell_length_c 4.78378359 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgTeP2 _chemical_formula_sum 'Ag1 Te1 P2' _cell_volume 77.41044725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38264582 3.38264582 3.38264582 1 P P1 1 5.07396873 5.07396873 5.07396873 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 1.69132291 1.69132291 1.69132291 1 [/CIF]
AgP2Te
F-43m
216
cubic
-43m
6,379.903581
false
[CIF] data_LaScCoSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98429403 _cell_length_b 4.98429403 _cell_length_c 4.98429403 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScCoSn _chemical_formula_sum 'La1 Sc1 Co1 Sn1' _cell_volume 87.55802662 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76221405 1.76221405 1.76221405 1 La La1 1 5.28664216 5.28664216 5.28664216 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.52442811 3.52442811 3.52442811 1 [/CIF]
CoLaScSn
F-43m
216
cubic
-43m
6,855.93881
false
[CIF] data_K3Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23513766 _cell_length_b 6.23513766 _cell_length_c 11.04308838 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Bi _chemical_formula_sum 'K6 Bi2' _cell_volume 371.80332720 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.11756883 1.79992920 8.28231629 1 Bi Bi1 1 0.00000000 3.59985840 2.76077210 1 K K2 1 0.00000000 0.00000000 8.28231629 1 K K3 1 0.00000000 0.00000000 2.76077210 1 K K4 1 3.11756883 1.79992920 0.89850797 1 K K5 1 -0.00000000 3.59985840 6.42005216 1 K K6 1 0.00000000 3.59985840 10.14458041 1 K K7 1 3.11756883 1.79992920 4.62303622 1 [/CIF]
Bi2K6
P6_3/mmc
194
hexagonal
6/mmm
2,914.330473
false
[CIF] data_NaTaSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11558830 _cell_length_b 3.11558830 _cell_length_c 9.44633717 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTaSn2 _chemical_formula_sum 'Na1 Ta1 Sn2' _cell_volume 91.69456011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 1.55779415 1.55779415 2.58462233 1 Sn Sn2 1 1.55779415 1.55779415 6.86171484 1 Ta Ta3 1 0.00000000 0.00000000 4.72316859 1 [/CIF]
NaSn2Ta
P4/mmm
123
tetragonal
4/mmm
7,992.749167
false
[CIF] data_NaTiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50648677 _cell_length_b 3.83014450 _cell_length_c 7.63353058 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiCl2 _chemical_formula_sum 'Na1 Ti1 Cl2' _cell_volume 102.52099518 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75324338 1.91507225 0.00000000 1 Cl Cl1 1 1.75324338 0.00000000 3.81676529 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 0.00000000 1.91507225 3.81676529 1 [/CIF]
Cl2NaTi
Pmmm
47
orthorhombic
mmm
2,296.140573
false
[CIF] data_Ba2TaTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71160453 _cell_length_b 3.70685530 _cell_length_c 9.64228887 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.06926944 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TaTi _chemical_formula_sum 'Ba2 Ta1 Ti1' _cell_volume 132.57577465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.18388702 1.85342765 8.92262748 1 Ba Ba1 1 1.61208859 0.00000000 3.13084104 1 Ta Ta2 1 3.48577956 1.85342765 5.54857599 1 Ti Ti3 1 1.63882544 0.00000000 6.48795833 1 [/CIF]
Ba2TaTi
Pm
6
monoclinic
m
6,306.052114
false
[CIF] data_MgTa2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68635892 _cell_length_b 4.68635892 _cell_length_c 4.68635892 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTa2Ag _chemical_formula_sum 'Mg1 Ta2 Ag1' _cell_volume 72.77658015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31375617 3.31375617 3.31375617 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.65687809 1.65687809 1.65687809 1 Ta Ta3 1 4.97063426 4.97063426 4.97063426 1 [/CIF]
AgMgTa2
Fm-3m
225
cubic
m-3m
11,273.1432
false
[CIF] data_URe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05288350 _cell_length_b 3.05288350 _cell_length_c 4.60118300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural URe _chemical_formula_sum 'U1 Re1' _cell_volume 37.13817876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 0.00000000 0.00000000 0.00000000 1 U U1 1 1.52644174 0.88129156 2.30059150 1 [/CIF]
ReU
P-6m2
187
hexagonal
-6m2
18,968.73374
false
[CIF] data_BeGe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95880412 _cell_length_b 5.95880412 _cell_length_c 5.95880412 _cell_angle_alpha 147.21506698 _cell_angle_beta 144.95075521 _cell_angle_gamma 48.74832542 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGe2P _chemical_formula_sum 'Be1 Ge2 P1' _cell_volume 65.50998873 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.66289521 1 Ge Ge1 1 -0.00000000 1.79428902 4.88855787 1 Ge Ge2 1 -0.00000000 -0.00000000 2.85271727 1 P P3 1 -0.00000000 1.79428902 0.87891480 1 [/CIF]
BeGe2P
Imm2
44
orthorhombic
mm2
4,696.098163
false
[CIF] data_KPa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44535659 _cell_length_b 7.44535659 _cell_length_c 7.44535659 _cell_angle_alpha 25.05331151 _cell_angle_beta 25.05331151 _cell_angle_gamma 25.05331151 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPa _chemical_formula_sum 'K1 Pa1' _cell_volume 65.11411678 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Pa Pa1 1 -0.00000000 -0.00000000 10.81211200 1 [/CIF]
KPa
R-3m
166
trigonal
-3m
6,888.957433
false
[CIF] data_HfTeBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24647082 _cell_length_b 3.24647082 _cell_length_c 10.23832507 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTeBr2 _chemical_formula_sum 'Hf1 Te1 Br2' _cell_volume 107.90757227 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62323541 1.62323541 3.46456515 1 Br Br1 1 1.62323541 1.62323541 6.77375992 1 Hf Hf2 1 0.00000000 0.00000000 5.11916254 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2HfTe
P4/mmm
123
tetragonal
4/mmm
7,169.499417
false
[CIF] data_KPa2Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23218713 _cell_length_b 5.23218713 _cell_length_c 5.23218713 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPa2Ta _chemical_formula_sum 'K1 Pa2 Ta1' _cell_volume 101.28259190 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Pa Pa1 1 5.54957250 5.54957250 5.54957250 1 Pa Pa2 1 1.84985750 1.84985750 1.84985750 1 Ta Ta3 1 3.69971500 3.69971500 3.69971500 1 [/CIF]
KPa2Ta
Fm-3m
225
cubic
m-3m
11,183.397523
false
[CIF] data_CoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91462048 _cell_length_b 6.91462048 _cell_length_c 6.91462048 _cell_angle_alpha 32.92841768 _cell_angle_beta 32.92841768 _cell_angle_gamma 32.92841768 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoPb _chemical_formula_sum 'Co2 Pb2' _cell_volume 86.92544193 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 -0.00000000 0.00000000 6.66300033 1 Co Co1 1 -0.00000000 0.00000000 12.93857935 1 Pb Pb2 1 0.00000000 -0.00000000 1.84794284 1 Pb Pb3 1 -0.00000000 -0.00000000 17.75363683 1 [/CIF]
Co2Pb2
R-3m
166
trigonal
-3m
10,167.899239
false
[CIF] data_BeMoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87517913 _cell_length_b 3.87517913 _cell_length_c 3.87517913 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeMoRu _chemical_formula_sum 'Be1 Mo1 Ru1' _cell_volume 41.14910079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 1.37008272 1.37008272 1.37008272 1 Ru Ru2 1 4.11024816 4.11024816 4.11024816 1 [/CIF]
BeMoRu
F-43m
216
cubic
-43m
8,314.667538
false
[CIF] data_TaTiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20584403 _cell_length_b 3.20584403 _cell_length_c 9.87679441 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.80456967 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiTe2 _chemical_formula_sum 'Ta1 Ti1 Te2' _cell_volume 97.17336392 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91130132 0.00000000 2.69622670 1 Te Te1 1 0.00000000 0.00000000 0.66007733 1 Te Te2 1 1.91130132 0.00000000 6.71180320 1 Ti Ti3 1 0.00000000 0.00000000 4.74708449 1 [/CIF]
TaTe2Ti
Cmm2
35
orthorhombic
mm2
8,271.048615
false
[CIF] data_CaAl2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27940019 _cell_length_b 3.27940019 _cell_length_c 6.94355754 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAl2Tc _chemical_formula_sum 'Ca1 Al2 Tc1' _cell_volume 74.67425052 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63970009 1.63970009 4.75527490 1 Al Al1 1 1.63970009 1.63970009 2.18828264 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 3.47177877 1 [/CIF]
Al2CaTc
P4/mmm
123
tetragonal
4/mmm
4,290.589101
false
[CIF] data_FeSn2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60535990 _cell_length_b 4.60535990 _cell_length_c 4.57293573 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSn2Br _chemical_formula_sum 'Fe1 Sn2 Br1' _cell_volume 96.98894782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30267995 2.30267995 0.00000000 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 0.00000000 2.30267995 2.28646787 1 Sn Sn3 1 2.30267995 0.00000000 2.28646787 1 [/CIF]
BrFeSn2
P4/mmm
123
tetragonal
4/mmm
6,388.992941
false
[CIF] data_AgP2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42117637 _cell_length_b 4.42117637 _cell_length_c 3.01279413 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgP2Os _chemical_formula_sum 'Ag1 P2 Os1' _cell_volume 58.89048579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 2.21058819 2.21058819 0.00000000 1 P P2 1 2.21058819 0.00000000 1.50639707 1 P P3 1 0.00000000 2.21058819 1.50639707 1 [/CIF]
AgOsP2
P4/mmm
123
tetragonal
4/mmm
10,152.233972
false
[CIF] data_TlSnAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85911830 _cell_length_b 5.85911830 _cell_length_c 5.85911830 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSnAs4 _chemical_formula_sum 'Tl1 Sn1 As4' _cell_volume 142.22691897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.03766095 3.03766095 5.24838361 1 As As1 1 3.03766095 5.24838361 3.03766095 1 As As2 1 5.24838361 3.03766095 3.03766095 1 As As3 1 5.24838361 5.24838361 5.24838361 1 Sn Sn4 1 0.00000000 0.00000000 0.00000000 1 Tl Tl5 1 2.07151114 2.07151114 2.07151114 1 [/CIF]
As4SnTl
F-43m
216
cubic
-43m
7,271.127219
false
[CIF] data_ZrCuSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56802692 _cell_length_b 4.56802692 _cell_length_c 4.56802692 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCuSb _chemical_formula_sum 'Zr1 Cu1 Sb1' _cell_volume 67.40171782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.61504141 1.61504141 1.61504140 1 Zr Zr2 1 3.23008281 3.23008281 3.23008281 1 [/CIF]
CuSbZr
F-43m
216
cubic
-43m
6,812.717582
false
[CIF] data_CoPPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84088863 _cell_length_b 2.84088863 _cell_length_c 6.66558203 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoPPt2 _chemical_formula_sum 'Co1 P1 Pt2' _cell_volume 53.79556767 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42044431 1.42044431 3.67759764 1 P P1 1 0.00000000 0.00000000 4.72533188 1 Pt Pt2 1 1.42044431 1.42044431 6.42380877 1 Pt Pt3 1 0.00000000 0.00000000 1.83721678 1 [/CIF]
CoPPt2
P4mm
99
tetragonal
4mm
14,818.752837
false
[CIF] data_Cr2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85962216 _cell_length_b 4.85962216 _cell_length_c 6.00779866 _cell_angle_alpha 103.73105679 _cell_angle_beta 103.73105679 _cell_angle_gamma 29.14542529 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Co _chemical_formula_sum 'Cr4 Co2' _cell_volume 66.98901243 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 -0.92701878 0.00000000 4.70339969 1 Co Co1 1 8.86014492 0.00000000 1.12091271 1 Cr Cr2 1 5.16802469 -0.00000000 3.07240392 1 Cr Cr3 1 1.65575250 -0.00000000 5.03580811 1 Cr Cr4 1 6.27737364 -0.00000000 0.78850430 1 Cr Cr5 1 2.76510145 -0.00000000 2.75190849 1 [/CIF]
Co2Cr4
C2/m
12
monoclinic
2/m
8,077.26442
false
[CIF] data_SrNb2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14412447 _cell_length_b 6.14412447 _cell_length_c 2.85877527 _cell_angle_alpha 99.84080913 _cell_angle_beta 99.84080913 _cell_angle_gamma 123.25321546 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNb2Zn _chemical_formula_sum 'Sr1 Nb2 Zn1' _cell_volume 84.20952587 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.94581279 2.70301342 1.33374342 1 Nb Nb1 1 0.94581279 -2.70301342 1.33374342 1 Sr Sr2 1 2.91978414 -0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2SrZn
C2/m
12
monoclinic
2/m
6,681.094786
false
[CIF] data_Ge2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69687993 _cell_length_b 4.69687993 _cell_length_c 4.69687993 _cell_angle_alpha 141.94413691 _cell_angle_beta 132.78830236 _cell_angle_gamma 62.17959747 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2Os _chemical_formula_sum 'Ge2 Os1' _cell_volume 46.33837499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.31978032 1 Ge Ge1 1 -0.00000000 -0.00000000 2.72465084 1 Os Os2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2Os
Immm
71
orthorhombic
mmm
12,023.025458
false
[CIF] data_BaTa2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91125968 _cell_length_b 4.91125968 _cell_length_c 4.91125968 _cell_angle_alpha 119.48544183 _cell_angle_beta 119.48544183 _cell_angle_gamma 90.89357568 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTa2Mo _chemical_formula_sum 'Ba1 Ta2 Mo1' _cell_volume 84.40558780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.47470379 1.72279961 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 2.47470379 -0.00000000 1.72279961 1 Ta Ta3 1 0.00000000 -0.00000000 3.44559922 1 [/CIF]
BaMoTa2
I-4m2
119
tetragonal
-42m
11,709.22744
false
[CIF] data_Nb2FeNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84566498 _cell_length_b 2.84566498 _cell_length_c 7.10677017 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2FeNi _chemical_formula_sum 'Nb2 Fe1 Ni1' _cell_volume 57.54926871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 1.42283249 1.42283249 1.69324826 1 Nb Nb2 1 1.42283249 1.42283249 5.41352191 1 Ni Ni3 1 0.00000000 0.00000000 3.55338508 1 [/CIF]
FeNb2Ni
P4/mmm
123
tetragonal
4/mmm
8,666.397437
false
[CIF] data_TiAgBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34621533 _cell_length_b 3.34621533 _cell_length_c 8.05411790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAgBr2 _chemical_formula_sum 'Ti1 Ag1 Br2' _cell_volume 90.18322290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67310767 1.67310767 5.89488871 1 Br Br1 1 0.00000000 0.00000000 7.45177313 1 Br Br2 1 1.67310767 1.67310767 2.61331762 1 Ti Ti3 1 0.00000000 0.00000000 4.17531529 1 [/CIF]
AgBr2Ti
P4mm
99
tetragonal
4mm
5,810.080843
false
[CIF] data_KLaMnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19804092 _cell_length_b 5.19804092 _cell_length_c 5.19804092 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaMnRh _chemical_formula_sum 'K1 La1 Mn1 Rh1' _cell_volume 99.31253853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 3.67556998 3.67556998 3.67556998 1 Mn Mn2 1 1.83778499 1.83778499 1.83778499 1 Rh Rh3 1 5.51335497 5.51335497 5.51335497 1 [/CIF]
KLaMnRh
F-43m
216
cubic
-43m
5,615.480132
false
[CIF] data_Li4GeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41590534 _cell_length_b 5.41590534 _cell_length_c 5.41590534 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4GeBi _chemical_formula_sum 'Li4 Ge1 Bi1' _cell_volume 112.33063053 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.74443509 5.74443509 5.74443509 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 4.78945852 4.78945852 2.86978826 1 Li Li3 1 4.78945852 2.86978826 4.78945852 1 Li Li4 1 2.86978826 4.78945852 4.78945852 1 Li Li5 1 2.86978826 2.86978826 2.86978826 1 [/CIF]
BiGeLi4
F-43m
216
cubic
-43m
4,573.506624
false
[CIF] data_ZrBeCdIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55125565 _cell_length_b 4.55125565 _cell_length_c 4.55125565 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBeCdIr _chemical_formula_sum 'Zr1 Be1 Cd1 Ir1' _cell_volume 66.66205448 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 4.82733560 4.82733559 4.82733560 1 Ir Ir2 1 1.60911187 1.60911187 1.60911187 1 Zr Zr3 1 3.21822373 3.21822373 3.21822373 1 [/CIF]
BeCdIrZr
F-43m
216
cubic
-43m
10,085.089578
false
[CIF] data_Rb2NaCo(CN)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15926085 _cell_length_b 7.60986700 _cell_length_c 12.57095999 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.26566338 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2NaCo(CN)6 _chemical_formula_sum 'Rb4 Na2 Co2 C12 N12' _cell_volume 566.00836638 _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 C C0 1 -5.02974058 2.78979353 10.06874333 1 C C1 1 -4.44389311 5.36509047 9.99850559 1 C C2 1 -3.01579073 3.66383348 8.59538951 1 C C3 1 -0.44170638 7.46876698 6.98824869 1 C C4 1 0.98639600 1.56015697 5.58513261 1 C C5 1 1.57224347 6.59472703 5.51489487 1 C C6 1 -1.49082126 1.01513997 4.87419727 1 C C7 1 -0.90497379 6.04971003 4.80395952 1 C C8 1 0.52312859 0.14110002 3.40084344 1 C C9 1 3.09721294 3.94603352 1.79370263 1 C C10 1 4.52531532 2.24477653 0.39058654 1 C C11 1 5.11116279 4.82007347 0.32034880 1 Co Co12 1 3.57963043 3.80493350 0.00000000 1 Co Co13 1 0.04071111 0.00000000 5.19454607 1 N N14 1 -5.99259846 2.15262347 9.84953193 1 N N15 1 -5.04481915 6.34238049 9.74237873 1 N N16 1 -0.74910631 7.35472049 8.11645818 1 N N17 1 -2.70839080 3.54978699 7.46718002 1 N N18 1 1.58732204 2.53744699 5.84125947 1 N N19 1 2.53510135 5.95755697 5.73410627 1 N N20 1 -2.45367914 1.65231003 4.65498587 1 N N21 1 -1.50589983 5.07242001 4.54783267 1 N N22 1 2.78981301 4.06008001 2.92191211 1 N N23 1 0.83052852 0.25514651 2.27263396 1 N N24 1 5.12624136 1.26748651 0.64671340 1 N N25 1 6.07402067 5.45724353 0.53956020 1 Na Na26 1 0.00000000 0.00000000 0.00000000 1 Na Na27 1 -3.53891932 3.80493350 5.19454607 1 Rb Rb28 1 0.21479015 4.33287053 7.79439819 1 Rb Rb29 1 -3.67228726 0.52793703 7.78924001 1 Rb Rb30 1 3.75370947 7.08192997 2.59985213 1 Rb Rb31 1 -0.13336794 3.27699647 2.59469394 1 [/CIF]
C12Co2N12Na2Rb4
P2_1/c
14
monoclinic
2/m
2,399.607565
false
[CIF] data_Hf2ScTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17081594 _cell_length_b 5.17081594 _cell_length_c 3.36835717 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ScTl _chemical_formula_sum 'Hf2 Sc1 Tl1' _cell_volume 90.06090243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.58540797 0.00000000 1.68417859 1 Hf Hf1 1 0.00000000 2.58540797 1.68417859 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.58540797 2.58540797 0.00000000 1 [/CIF]
Hf2ScTl
P4/mmm
123
tetragonal
4/mmm
11,179.287696
false
[CIF] data_AlPtF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86365364 _cell_length_b 3.86365364 _cell_length_c 3.86365364 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlPtF3 _chemical_formula_sum 'Al1 Pt1 F3' _cell_volume 57.67592395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 F F1 1 1.93182682 0.00000000 0.00000000 1 F F2 1 0.00000000 1.93182682 0.00000000 1 F F3 1 0.00000000 0.00000000 1.93182682 1 Pt Pt4 1 1.93182682 1.93182682 1.93182682 1 [/CIF]
AlF3Pt
Pm-3m
221
cubic
m-3m
8,034.397068
false
[CIF] data_LaZnCdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93634808 _cell_length_b 4.93634808 _cell_length_c 4.93634808 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZnCdTc _chemical_formula_sum 'La1 Zn1 Cd1 Tc1' _cell_volume 85.05548571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.49052520 3.49052520 3.49052520 1 La La1 1 1.74526260 1.74526260 1.74526260 1 Tc Tc2 1 5.23578780 5.23578780 5.23578780 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdLaTcZn
F-43m
216
cubic
-43m
8,113.814929
false
[CIF] data_TlHgPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15334833 _cell_length_b 5.15334833 _cell_length_c 5.15334833 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlHgPtPb _chemical_formula_sum 'Tl1 Hg1 Pt1 Pb1' _cell_volume 96.77284262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 3.64396755 3.64396755 3.64396755 1 Pb Pb1 1 1.82198378 1.82198378 1.82198378 1 Pt Pt2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 5.46595133 5.46595133 5.46595133 1 [/CIF]
HgPbPtTl
F-43m
216
cubic
-43m
13,851.843628
false
[CIF] data_ZrFeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93085625 _cell_length_b 2.93085625 _cell_length_c 6.56479978 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFeRu _chemical_formula_sum 'Zr1 Fe1 Ru1' _cell_volume 48.83612024 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.11578094 1 Ru Ru1 1 1.46542813 0.84606532 2.06735826 1 Zr Zr2 1 -0.00000000 1.69213065 4.38166058 1 [/CIF]
FeRuZr
P3m1
156
trigonal
3m
8,437.289878
false
[CIF] data_ScFeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81245336 _cell_length_b 2.81245336 _cell_length_c 7.58092340 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFeOs2 _chemical_formula_sum 'Sc1 Fe1 Os2' _cell_volume 59.96429977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40622668 1.40622668 5.88644821 1 Os Os1 1 0.00000000 0.00000000 7.46497363 1 Os Os2 1 1.40622668 1.40622668 1.70040362 1 Sc Sc3 1 0.00000000 0.00000000 3.90048303 1 [/CIF]
FeOs2Sc
P4mm
99
tetragonal
4mm
13,327.138791
false
[CIF] data_Nb4Si7Ni4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29046102 _cell_length_b 9.29046102 _cell_length_c 9.29046102 _cell_angle_alpha 94.19155895 _cell_angle_beta 94.19155895 _cell_angle_gamma 148.62933784 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4Si7Ni4 _chemical_formula_sum 'Nb8 Si14 Ni8' _cell_volume 401.89399168 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.70186615 1.70186615 2.51171300 1 Nb Nb1 1 4.62284585 4.62284585 0.00000000 1 Nb Nb2 1 1.70186615 -1.70186615 2.51171300 1 Nb Nb3 1 -1.70186615 1.70186615 2.51171300 1 Nb Nb4 1 10.22783092 0.00000000 0.00000000 1 Nb Nb5 1 2.42159308 -0.00000000 0.00000000 1 Nb Nb6 1 -0.00000000 2.42159308 0.00000000 1 Nb Nb7 1 0.00000000 10.22783092 -0.00000000 1 Si Si8 1 7.50090604 0.00000000 0.00000000 1 Si Si9 1 5.14851796 -0.00000000 -0.00000000 1 Si Si10 1 -0.00000000 5.14851796 0.00000000 1 Si Si11 1 0.00000000 7.50090604 -0.00000000 1 Si Si12 1 0.00000000 -0.00000000 1.25841342 1 Si Si13 1 -0.00000000 0.00000000 3.76501258 1 Si Si14 1 3.69739501 3.69739501 2.51171300 1 Si Si15 1 2.62731699 2.62731699 0.00000000 1 Si Si16 1 3.69739501 -3.69739501 2.51171300 1 Si Si17 1 -3.69739501 3.69739501 2.51171300 1 Si Si18 1 3.69213918 0.00000000 2.51171300 1 Si Si19 1 2.63257282 6.32471200 -0.00000000 1 Si Si20 1 6.32471200 2.63257282 -0.00000000 1 Si Si21 1 -0.00000000 3.69213918 2.51171300 1 Ni Ni22 1 1.87337337 8.19808537 1.25585650 1 Ni Ni23 1 -1.87337337 4.45133863 1.25585650 1 Ni Ni24 1 1.87337337 4.45133863 1.25585650 1 Ni Ni25 1 -1.87337337 8.19808537 1.25585650 1 Ni Ni26 1 8.19808537 -1.87337337 1.25585650 1 Ni Ni27 1 4.45133863 1.87337337 1.25585650 1 Ni Ni28 1 8.19808537 1.87337337 1.25585650 1 Ni Ni29 1 4.45133863 -1.87337337 1.25585650 1 [/CIF]
Nb8Ni8Si14
I4/mmm
139
tetragonal
4/mmm
6,635.625045
false
[CIF] data_BePt2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27935949 _cell_length_b 3.27935949 _cell_length_c 6.45985141 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePt2Pb _chemical_formula_sum 'Be1 Pt2 Pb1' _cell_volume 69.47052541 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.47338828 1 Pb Pb1 1 1.63967975 1.63967975 4.94545914 1 Pt Pt2 1 0.00000000 0.00000000 0.19430619 1 Pt Pt3 1 1.63967975 1.63967975 2.07662350 1 [/CIF]
BePbPt2
P4mm
99
tetragonal
4mm
14,494.175415
false
[CIF] data_YPdBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14154277 _cell_length_b 6.14154277 _cell_length_c 6.14154277 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPdBr4 _chemical_formula_sum 'Y1 Pd1 Br4' _cell_volume 163.80133772 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 5.42500403 5.42500403 3.26044905 1 Br Br1 1 5.42500403 3.26044905 5.42500403 1 Br Br2 1 3.26044905 5.42500403 5.42500403 1 Br Br3 1 3.26044905 3.26044905 3.26044905 1 Pd Pd4 1 6.51408981 6.51408981 6.51408981 1 Y Y5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br4PdY
F-43m
216
cubic
-43m
5,220.232453
false