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_Nb2PIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47886685 _cell_length_b 4.47886685 _cell_length_c 4.47886685 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2PIr _chemical_formula_sum 'Nb2 P1 Ir1' _cell_volume 63.53155081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16703712 3.16703712 3.16703712 1 Nb Nb1 1 4.75055568 4.75055568 4.75055568 1 Nb Nb2 1 1.58351856 1.58351856 1.58351856 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrNb2P
Fm-3m
225
cubic
m-3m
10,690.221126
false
[CIF] data_K3LiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26180540 _cell_length_b 6.26180540 _cell_length_c 6.26180540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3LiOs _chemical_formula_sum 'K3 Li1 Os1' _cell_volume 245.52668510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.13090270 0.00000000 1 K K1 1 0.00000000 0.00000000 3.13090270 1 K K2 1 3.13090270 0.00000000 0.00000000 1 Os Os3 1 3.13090270 3.13090270 3.13090270 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K3LiOs
Pm-3m
221
cubic
m-3m
2,126.786797
false
[CIF] data_NaNbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02126094 _cell_length_b 5.02126094 _cell_length_c 5.02126094 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNbBr _chemical_formula_sum 'Na1 Nb1 Br1' _cell_volume 89.52068047 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.32585149 5.32585149 5.32585149 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.77528383 1.77528383 1.77528383 1 [/CIF]
BrNaNb
F-43m
216
cubic
-43m
3,631.940635
false
[CIF] data_La2MoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68050226 _cell_length_b 3.68050226 _cell_length_c 7.11926074 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MoIr _chemical_formula_sum 'La2 Mo1 Ir1' _cell_volume 96.43819574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 3.55963037 1 La La1 1 1.84025113 1.84025113 5.22223924 1 La La2 1 1.84025113 1.84025113 1.89702150 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrLa2Mo
P4/mmm
123
tetragonal
4/mmm
9,745.568946
false
[CIF] data_Np2TcPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82812510 _cell_length_b 4.82812510 _cell_length_c 4.82812510 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Np2TcPt _chemical_formula_sum 'Np2 Tc1 Pt1' _cell_volume 79.58304389 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Np Np0 1 1.70700000 1.70700000 1.70700000 1 Np Np1 1 5.12100000 5.12100000 5.12100000 1 Pt Pt2 1 3.41400000 3.41400000 3.41400000 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Np2PtTc
Fm-3m
225
cubic
m-3m
16,024.490489
false
[CIF] data_KPtBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71856403 _cell_length_b 4.71856403 _cell_length_c 6.12690337 _cell_angle_alpha 109.26197969 _cell_angle_beta 109.26197969 _cell_angle_gamma 74.93942012 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPtBr2 _chemical_formula_sum 'K1 Pt1 Br2' _cell_volume 119.81095006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.61868359 0.00000000 1.70133716 1 Br Br1 1 0.32470536 0.00000000 3.87124305 1 K K2 1 -0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.47169448 0.00000000 2.78629010 1 [/CIF]
Br2KPt
C2/m
12
monoclinic
2/m
5,460.571715
false
[CIF] data_LiMg2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.23273118 _cell_length_b 10.23273118 _cell_length_c 10.23273118 _cell_angle_alpha 18.96054577 _cell_angle_beta 18.96054577 _cell_angle_gamma 18.96054577 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMg2Pb _chemical_formula_sum 'Li1 Mg2 Pb1' _cell_volume 98.85408834 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 -0.00000000 0.00000000 22.51265671 1 Mg Mg2 1 -0.00000000 0.00000000 7.62522128 1 Pb Pb3 1 0.00000000 0.00000000 15.06893900 1 [/CIF]
LiMg2Pb
R-3m
166
trigonal
-3m
4,413.659643
false
[CIF] data_TaTlMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68325207 _cell_length_b 4.68325207 _cell_length_c 4.68325207 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTlMoPt _chemical_formula_sum 'Ta1 Tl1 Mo1 Pt1' _cell_volume 72.63193338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.65577965 1.65577965 1.65577965 1 Ta Ta2 1 4.96733895 4.96733895 4.96733895 1 Tl Tl3 1 3.31155930 3.31155930 3.31155930 1 [/CIF]
MoPtTaTl
F-43m
216
cubic
-43m
15,463.548303
false
[CIF] data_MgPRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95584071 _cell_length_b 2.95584071 _cell_length_c 6.31522715 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgPRu2 _chemical_formula_sum 'Mg1 P1 Ru2' _cell_volume 55.17610363 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 0.00000000 0.00000000 3.15761358 1 Ru Ru2 1 1.47792035 1.47792035 4.50847401 1 Ru Ru3 1 1.47792035 1.47792035 1.80675314 1 [/CIF]
MgPRu2
P4/mmm
123
tetragonal
4/mmm
7,747.084021
false
[CIF] data_YNbNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82607159 _cell_length_b 4.82607159 _cell_length_c 4.82607159 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbNiSn _chemical_formula_sum 'Y1 Nb1 Ni1 Sn1' _cell_volume 79.48154176 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70627397 1.70627397 1.70627397 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 5.11882192 5.11882192 5.11882193 1 Y Y3 1 3.41254795 3.41254795 3.41254795 1 [/CIF]
NbNiSnY
F-43m
216
cubic
-43m
7,504.781283
false
[CIF] data_MnBe2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.34085098 _cell_length_b 2.34085098 _cell_length_c 7.45152444 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.49590338 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBe2Co _chemical_formula_sum 'Mn1 Be2 Co1' _cell_volume 38.72216562 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36770932 0.00000000 7.39999350 1 Be Be1 1 0.00000000 0.00000000 5.61917170 1 Co Co2 1 1.36770932 0.00000000 3.82292399 1 Mn Mn3 1 0.00000000 0.00000000 1.78672191 1 [/CIF]
Be2CoMn
Cmm2
35
orthorhombic
mm2
5,656.135178
false
[CIF] data_Be2NbAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21931086 _cell_length_b 3.21931086 _cell_length_c 5.14326369 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2NbAs _chemical_formula_sum 'Be2 Nb1 As1' _cell_volume 53.30459156 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 3.93135091 1 Be Be1 1 1.60965543 1.60965543 0.09363373 1 Be Be2 1 0.00000000 0.00000000 1.08551378 1 Nb Nb3 1 1.60965543 1.60965543 2.60439711 1 [/CIF]
AsBe2Nb
P4mm
99
tetragonal
4mm
5,789.6528
false
[CIF] data_In2FeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08240879 _cell_length_b 3.08240879 _cell_length_c 9.46018168 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2FeCl _chemical_formula_sum 'In2 Fe1 Cl1' _cell_volume 89.88349394 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 5.55786866 1 Fe Fe1 1 1.54120440 1.54120440 6.92146776 1 In In2 1 0.00000000 0.00000000 8.94221989 1 In In3 1 1.54120440 1.54120440 2.22889789 1 [/CIF]
ClFeIn2
P4mm
99
tetragonal
4mm
5,929.04683
false
[CIF] data_K2NaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44182869 _cell_length_b 5.44182869 _cell_length_c 4.69545001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.87237126 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NaNi _chemical_formula_sum 'K2 Na1 Ni1' _cell_volume 138.87401072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87515091 -1.97159427 2.34772500 1 K K1 1 1.87515091 1.97159427 2.34772500 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 3.75030181 0.00000000 0.00000000 1 [/CIF]
K2NaNi
Cmmm
65
orthorhombic
mmm
1,911.708328
false
[CIF] data_BaLa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27247654 _cell_length_b 7.27247654 _cell_length_c 7.27247654 _cell_angle_alpha 117.07453881 _cell_angle_beta 117.07453881 _cell_angle_gamma 117.07453881 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLa3 _chemical_formula_sum 'Ba1 La3' _cell_volume 167.63098515 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 -3.10163799 -1.79073153 1.25753901 1 La La2 1 3.10163799 -1.79073153 1.25753901 1 La La3 1 -0.00000000 3.58146306 1.25753901 1 [/CIF]
BaLa3
R-3m
166
trigonal
-3m
5,488.309491
false
[CIF] data_HgBIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31424008 _cell_length_b 4.31424008 _cell_length_c 3.13778822 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgBIr2 _chemical_formula_sum 'Hg1 B1 Ir2' _cell_volume 58.40260872 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.15712004 2.15712004 0.00000000 1 Ir Ir2 1 2.15712004 0.00000000 1.56889411 1 Ir Ir3 1 0.00000000 2.15712004 1.56889411 1 [/CIF]
BHgIr2
P4/mmm
123
tetragonal
4/mmm
16,941.148972
false
[CIF] data_YbZrFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57541080 _cell_length_b 4.57541080 _cell_length_c 4.57541080 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbZrFe2 _chemical_formula_sum 'Yb1 Zr1 Fe2' _cell_volume 67.72909611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61765200 1.61765200 1.61765200 1 Fe Fe1 1 4.85295600 4.85295600 4.85295600 1 Yb Yb2 1 3.23530400 3.23530400 3.23530400 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2YbZr
Fm-3m
225
cubic
m-3m
9,217.745217
false
[CIF] data_HfNi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29431575 _cell_length_b 4.29431575 _cell_length_c 4.29431575 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNi2Ir _chemical_formula_sum 'Hf1 Ni2 Ir1' _cell_volume 55.99727905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 3.03653979 3.03653979 3.03653979 1 Ni Ni2 1 4.55480969 4.55480969 4.55480969 1 Ni Ni3 1 1.51826989 1.51826989 1.51826990 1 [/CIF]
HfIrNi2
Fm-3m
225
cubic
m-3m
14,473.896534
false
[CIF] data_BeGeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02627581 _cell_length_b 3.02627581 _cell_length_c 5.82122085 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGeIr2 _chemical_formula_sum 'Be1 Ge1 Ir2' _cell_volume 53.31275048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.73892452 1 Ge Ge1 1 1.51313791 1.51313791 4.31826010 1 Ir Ir2 1 0.00000000 0.00000000 5.63498172 1 Ir Ir3 1 1.51313791 1.51313791 1.86088579 1 [/CIF]
BeGeIr2
P4mm
99
tetragonal
4mm
14,517.245998
false
[CIF] data_Y2HfOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33154941 _cell_length_b 4.70892089 _cell_length_c 5.96656322 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.66092549 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2HfOs _chemical_formula_sum 'Y2 Hf1 Os1' _cell_volume 90.95545607 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 -0.70457807 0.00000000 2.89888580 1 Y Y2 1 0.30534591 2.35446044 4.23338232 1 Y Y3 1 1.61704736 2.35446044 1.56438929 1 [/CIF]
HfOsY2
P2/m
10
monoclinic
2/m
9,977.820772
false
[CIF] data_Ga2CoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04542943 _cell_length_b 4.15032398 _cell_length_c 4.52278686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2CoW _chemical_formula_sum 'Ga2 Co1 W1' _cell_volume 57.16584951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 0.00000000 2.07516199 2.26139343 1 Ga Ga2 1 1.52271471 2.07516199 0.00000000 1 W W3 1 1.52271471 0.00000000 2.26139343 1 [/CIF]
CoGa2W
Pmmm
47
orthorhombic
mmm
11,102.606026
false
[CIF] data_BeTlReRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45564873 _cell_length_b 4.45564873 _cell_length_c 4.45564873 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTlReRh _chemical_formula_sum 'Be1 Tl1 Re1 Rh1' _cell_volume 62.54863502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 3.15061943 3.15061943 3.15061943 1 Rh Rh2 1 1.57530972 1.57530972 1.57530971 1 Tl Tl3 1 4.72592915 4.72592915 4.72592915 1 [/CIF]
BeReRhTl
F-43m
216
cubic
-43m
13,340.565068
false
[CIF] data_AlTcHgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51544646 _cell_length_b 4.51544646 _cell_length_c 4.51544646 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTcHgMo _chemical_formula_sum 'Al1 Tc1 Hg1 Mo1' _cell_volume 65.10091504 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 4.78935422 4.78935422 4.78935422 1 Mo Mo2 1 1.59645141 1.59645141 1.59645141 1 Tc Tc3 1 3.19290281 3.19290281 3.19290281 1 [/CIF]
AlHgMoTc
F-43m
216
cubic
-43m
10,775.184462
false
[CIF] data_RuAuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02280699 _cell_length_b 4.02280699 _cell_length_c 4.02280699 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RuAuO3 _chemical_formula_sum 'Ru1 Au1 O3' _cell_volume 65.10098929 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01140350 2.01140350 2.01140350 1 O O1 1 2.01140350 2.01140350 0.00000000 1 O O2 1 0.00000000 2.01140350 2.01140350 1 O O3 1 2.01140350 0.00000000 2.01140350 1 Ru Ru4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuO3Ru
Pm-3m
221
cubic
m-3m
8,826.352082
false
[CIF] data_FePd2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99298454 _cell_length_b 4.99298454 _cell_length_c 4.57535593 _cell_angle_alpha 109.00818802 _cell_angle_beta 109.00818802 _cell_angle_gamma 35.21997286 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePd2Se _chemical_formula_sum 'Fe1 Pd2 Se1' _cell_volume 61.82227621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.00492646 0.00000000 3.30645335 1 Pd Pd1 1 7.82345576 0.00000000 4.13328636 1 Pd Pd2 1 6.81673662 0.00000000 1.19157118 1 Se Se3 1 4.24120633 0.00000000 2.11852177 1 [/CIF]
FePd2Se
Cm
8
monoclinic
m
9,337.703806
false
[CIF] data_BaMn2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30116035 _cell_length_b 5.30116035 _cell_length_c 5.30116035 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMn2Sb _chemical_formula_sum 'Ba1 Mn2 Sb1' _cell_volume 105.34109407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.62272965 5.62272965 5.62272965 1 Mn Mn1 1 1.87424321 1.87424322 1.87424321 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 3.74848643 3.74848643 3.74848643 1 [/CIF]
BaMn2Sb
F-43m
216
cubic
-43m
5,816.131212
false
[CIF] data_NbCdTcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53382964 _cell_length_b 4.53382964 _cell_length_c 4.53382964 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCdTcRh _chemical_formula_sum 'Nb1 Cd1 Tc1 Rh1' _cell_volume 65.89926836 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20590168 3.20590168 3.20590168 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 4.80885252 4.80885252 4.80885252 1 Tc Tc3 1 1.60295084 1.60295084 1.60295084 1 [/CIF]
CdNbRhTc
F-43m
216
cubic
-43m
10,258.896028
false
[CIF] data_K2LiFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24329561 _cell_length_b 6.24329561 _cell_length_c 6.69024650 _cell_angle_alpha 99.24361193 _cell_angle_beta 99.24361193 _cell_angle_gamma 35.39425840 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LiFe _chemical_formula_sum 'K2 Li1 Fe1' _cell_volume 148.87958409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.38381514 -0.00000000 3.29722958 1 K K1 1 8.64946570 -0.00000000 1.68861810 1 K K2 1 2.11816458 0.00000000 4.90584106 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeK2Li
C2/m
12
monoclinic
2/m
1,572.459491
false
[CIF] data_AcPa2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14556231 _cell_length_b 5.14556231 _cell_length_c 5.14556231 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcPa2Ni _chemical_formula_sum 'Ac1 Pa2 Ni1' _cell_volume 96.33487235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 3.63846200 3.63846200 3.63846200 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pa Pa2 1 1.81923100 1.81923100 1.81923100 1 Pa Pa3 1 5.45769300 5.45769300 5.45769300 1 [/CIF]
AcNiPa2
Fm-3m
225
cubic
m-3m
12,889.343501
false
[CIF] data_TbTmCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81932304 _cell_length_b 4.81932304 _cell_length_c 4.81932304 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTmCu2 _chemical_formula_sum 'Tb1 Tm1 Cu2' _cell_volume 79.14857781 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70388800 1.70388800 1.70388800 1 Cu Cu1 1 5.11166400 5.11166400 5.11166400 1 Tb Tb2 1 0.00000000 0.00000000 0.00000000 1 Tm Tm3 1 3.40777600 3.40777600 3.40777600 1 [/CIF]
Cu2TbTm
Fm-3m
225
cubic
m-3m
9,544.894674
false
[CIF] data_KLaCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15750272 _cell_length_b 5.15750272 _cell_length_c 5.15750272 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaCoBi _chemical_formula_sum 'K1 La1 Co1 Bi1' _cell_volume 97.00707287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.47035772 5.47035773 5.47035773 1 Co Co1 1 3.64690515 3.64690515 3.64690515 1 K K2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 1.82345257 1.82345257 1.82345257 1 [/CIF]
BiCoKLa
F-43m
216
cubic
-43m
7,633.084714
false
[CIF] data_Ge2PbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81024719 _cell_length_b 5.81024719 _cell_length_c 5.19245589 _cell_angle_alpha 98.72574409 _cell_angle_beta 98.72574409 _cell_angle_gamma 35.43657862 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2PbSe _chemical_formula_sum 'Ge2 Pb1 Se1' _cell_volume 100.33735365 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.83166216 -0.00000000 5.12552662 1 Ge Ge1 1 2.19499472 -0.00000000 4.17624811 1 Pb Pb2 1 5.39598514 0.00000000 2.55526827 1 Se Se3 1 8.18316031 0.00000000 0.95841522 1 [/CIF]
Ge2PbSe
Cm
8
monoclinic
m
7,140.142219
false
[CIF] data_MgCdInFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72291516 _cell_length_b 4.72291516 _cell_length_c 4.72291516 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCdInFe _chemical_formula_sum 'Mg1 Cd1 In1 Fe1' _cell_volume 74.49299511 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66980267 1.66980267 1.66980267 1 Fe Fe1 1 3.33960534 3.33960534 3.33960534 1 In In2 1 5.00940801 5.00940801 5.00940801 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdFeInMg
F-43m
216
cubic
-43m
6,851.850124
false
[CIF] data_GaBTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68726042 _cell_length_b 5.94258143 _cell_length_c 3.89912795 _cell_angle_alpha 82.81264013 _cell_angle_beta 61.84319843 _cell_angle_gamma 35.34416144 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaBTe _chemical_formula_sum 'Ga1 B1 Te1' _cell_volume 68.00739662 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.70264807 3.50773265 0.00078945 1 Ga Ga1 1 1.70264807 3.50773265 7.17451821 1 Te Te2 1 1.70264807 3.50773265 4.21157314 1 [/CIF]
BGaTe
Fmm2
42
orthorhombic
mm2
5,082.015417
false
[CIF] data_TiTeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33914225 _cell_length_b 4.33914225 _cell_length_c 4.33914225 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTeRu _chemical_formula_sum 'Ti1 Te1 Ru1' _cell_volume 57.76924157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.60235537 4.60235537 4.60235537 1 Te Te1 1 3.06823691 3.06823691 3.06823691 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RuTeTi
F-43m
216
cubic
-43m
7,948.875204
false
[CIF] data_MgRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37566246 _cell_length_b 4.37566246 _cell_length_c 4.37566246 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRhAu _chemical_formula_sum 'Mg1 Rh1 Au1' _cell_volume 59.24018992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09406060 3.09406060 3.09406060 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 4.64109090 4.64109090 4.64109090 1 [/CIF]
AuMgRh
F-43m
216
cubic
-43m
9,086.883217
false
[CIF] data_CuTe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48718908 _cell_length_b 6.48718908 _cell_length_c 6.48718908 _cell_angle_alpha 147.13663444 _cell_angle_beta 143.15317673 _cell_angle_gamma 50.19262669 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTe2Pt _chemical_formula_sum 'Cu1 Te2 Pt1' _cell_volume 88.40799569 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.69385650 1 Pt Pt1 1 0.00000000 2.05019003 3.18681484 1 Te Te2 1 0.00000000 0.00000000 11.14526876 1 Te Te3 1 1.83504340 -0.00000000 2.47315210 1 [/CIF]
CuPtTe2
Imm2
44
orthorhombic
mm2
9,651.104313
false
[CIF] data_BaHf3Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18271886 _cell_length_b 5.18271886 _cell_length_c 5.18271886 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHf3Fe _chemical_formula_sum 'Ba1 Hf3 Fe1' _cell_volume 139.21080751 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.59135943 0.00000000 2.59135943 1 Hf Hf1 1 2.59135943 2.59135943 0.00000000 1 Hf Hf2 1 0.00000000 2.59135943 2.59135943 1 Ba Ba3 1 2.59135943 2.59135943 2.59135943 1 Fe Fe4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaFeHf3
Pm-3m
221
cubic
m-3m
8,691.41217
false
[CIF] data_BeOsBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27648533 _cell_length_b 3.27648533 _cell_length_c 9.09455830 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 124.58178081 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeOsBr2 _chemical_formula_sum 'Be1 Os1 Br2' _cell_volume 80.38316356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32480474 1 Br Br1 1 1.52350936 0.00000000 0.77786921 1 Br Br2 1 0.00000000 0.00000000 6.26578170 1 Os Os3 1 1.52350936 0.00000000 4.27338179 1 [/CIF]
BeBr2Os
Cmm2
35
orthorhombic
mm2
7,417.185735
false
[CIF] data_Zn(SiSe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28914167 _cell_length_b 6.28914167 _cell_length_c 6.28914167 _cell_angle_alpha 135.07761400 _cell_angle_beta 135.07761400 _cell_angle_gamma 65.40962876 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn(SiSe)2 _chemical_formula_sum 'Zn1 Si2 Se2' _cell_volume 122.21599475 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 7.01862418 1 Se Se1 1 -0.00000000 0.00000000 3.56556584 1 Si Si2 1 -0.00000000 2.40281432 2.64604750 1 Si Si3 1 2.40281432 0.00000000 2.64604750 1 Zn Zn4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Se2Si2Zn
I4/mmm
139
tetragonal
4/mmm
3,797.150401
false
[CIF] data_SnTeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31187268 _cell_length_b 3.31187268 _cell_length_c 8.31855868 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnTeAu2 _chemical_formula_sum 'Sn1 Te1 Au2' _cell_volume 91.24211628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65593634 1.65593634 6.36256898 1 Au Au1 1 1.65593634 1.65593634 1.95598970 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 4.15927934 1 [/CIF]
Au2SnTe
P4/mmm
123
tetragonal
4/mmm
11,651.95182
false
[CIF] data_CdBi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97604552 _cell_length_b 5.97604552 _cell_length_c 3.44477558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.36909986 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdBi2Sb _chemical_formula_sum 'Cd1 Bi2 Sb1' _cell_volume 116.06074725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.72730926 -2.43817200 1.72238779 1 Bi Bi1 1 1.72730926 2.43817201 1.72238779 1 Cd Cd2 1 -0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 3.45461852 0.00000000 0.00000000 1 [/CIF]
Bi2CdSb
Cmmm
65
orthorhombic
mmm
9,330.375309
false
[CIF] data_Mn2SnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14252274 _cell_length_b 3.14252274 _cell_length_c 7.52444591 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2SnCl _chemical_formula_sum 'Mn2 Sn1 Cl1' _cell_volume 74.30728313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 1.57126137 1.57126137 1.86930269 1 Mn Mn2 1 1.57126137 1.57126137 5.65514322 1 Sn Sn3 1 0.00000000 0.00000000 3.76222296 1 [/CIF]
ClMn2Sn
P4/mmm
123
tetragonal
4/mmm
5,900.460972
false
[CIF] data_B2PdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36570028 _cell_length_b 5.36570028 _cell_length_c 5.36570028 _cell_angle_alpha 34.84167112 _cell_angle_beta 34.84167112 _cell_angle_gamma 34.84167112 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2PdPt _chemical_formula_sum 'B2 Pd1 Pt1' _cell_volume 45.00906916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 -0.00000000 -0.00000000 3.70437620 1 B B1 1 0.00000000 0.00000000 11.40024018 1 Pd Pd2 1 -0.00000000 0.00000000 -0.00000000 1 Pt Pt3 1 0.00000000 -0.00000000 7.55230819 1 [/CIF]
B2PdPt
R-3m
166
trigonal
-3m
11,921.22735
false
[CIF] data_ScFeTcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37232522 _cell_length_b 4.37232522 _cell_length_c 4.37232522 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFeTcW _chemical_formula_sum 'Sc1 Fe1 Tc1 W1' _cell_volume 59.10474867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09170081 3.09170081 3.09170081 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.63755122 4.63755122 4.63755122 1 W W3 1 1.54585041 1.54585041 1.54585041 1 [/CIF]
FeScTcW
F-43m
216
cubic
-43m
10,775.6987
false
[CIF] data_LiAlZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26339470 _cell_length_b 4.26339470 _cell_length_c 4.26339470 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlZnRu _chemical_formula_sum 'Li1 Al1 Zn1 Ru1' _cell_volume 54.79634908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50733765 1.50733765 1.50733765 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 3.01467530 3.01467530 3.01467530 1 Zn Zn3 1 4.52201295 4.52201295 4.52201295 1 [/CIF]
AlLiRuZn
F-43m
216
cubic
-43m
6,072.054686
false
[CIF] data_YCuRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10052434 _cell_length_b 4.10052434 _cell_length_c 3.90067863 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCuRh2 _chemical_formula_sum 'Y1 Cu1 Rh2' _cell_volume 65.58718015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 0.00000000 2.05026217 1.95033931 1 Rh Rh2 1 2.05026217 0.00000000 1.95033931 1 Y Y3 1 2.05026217 2.05026217 0.00000000 1 [/CIF]
CuRh2Y
P4/mmm
123
tetragonal
4/mmm
9,070.514347
false
[CIF] data_K2TiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05927612 _cell_length_b 6.05927612 _cell_length_c 6.05927612 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TiMo _chemical_formula_sum 'K2 Ti1 Mo1' _cell_volume 157.30670420 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 6.42683285 6.42683285 6.42683285 1 K K1 1 2.14227762 2.14227762 2.14227762 1 Mo Mo2 1 4.28455523 4.28455523 4.28455523 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2MoTi
Fm-3m
225
cubic
m-3m
2,343.694526
false
[CIF] data_NaTaSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05454281 _cell_length_b 5.05454281 _cell_length_c 5.05454281 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTaSn2 _chemical_formula_sum 'Na1 Ta1 Sn2' _cell_volume 91.31258572 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57410150 3.57410150 3.57410150 1 Sn Sn2 1 1.78705075 1.78705075 1.78705075 1 Ta Ta3 1 5.36115225 5.36115225 5.36115225 1 [/CIF]
NaSn2Ta
F-43m
216
cubic
-43m
8,026.184049
false
[CIF] data_AlIn2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23161206 _cell_length_b 3.23161206 _cell_length_c 10.00364106 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.33412389 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlIn2Hg _chemical_formula_sum 'Al1 In2 Hg1' _cell_volume 97.96076921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.00000000 0.00000000 5.00182053 1 In In2 1 1.84585006 0.00000000 7.64634897 1 In In3 1 1.84585006 0.00000000 2.35729209 1 [/CIF]
AlHgIn2
Cmmm
65
orthorhombic
mmm
7,750.153306
false
[CIF] data_BeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64245105 _cell_length_b 6.64245105 _cell_length_c 3.48610227 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAu2 _chemical_formula_sum 'Be3 Au6' _cell_volume 133.20713266 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.77956382 0.00000000 1.74305113 1 Au Au1 1 -0.88978191 1.54114747 1.74305113 1 Au Au2 1 2.43144362 4.21138388 1.74305113 1 Au Au3 1 4.02679720 0.00000000 0.00000000 1 Au Au4 1 -2.01339860 3.48730867 0.00000000 1 Au Au5 1 1.30782692 2.26522268 0.00000000 1 Be Be6 1 -0.00000000 3.83502090 1.74305113 1 Be Be7 1 3.32122552 1.91751045 1.74305113 1 Be Be8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au6Be3
P-62m
189
hexagonal
-6m2
15,069.158067
false
[CIF] data_NiHgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34783596 _cell_length_b 4.34783596 _cell_length_c 4.34783596 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiHgSe _chemical_formula_sum 'Ni1 Hg1 Se1' _cell_volume 58.11716921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53719214 1.53719214 1.53719215 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 4.61157643 4.61157643 4.61157643 1 [/CIF]
HgNiSe
F-43m
216
cubic
-43m
9,664.379518
false
[CIF] data_BaAs2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18719720 _cell_length_b 4.18719720 _cell_length_c 7.06210881 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.73964584 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAs2Se _chemical_formula_sum 'Ba1 As2 Se1' _cell_volume 123.80695625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.94162316 0.00000000 6.28250390 1 As As1 1 0.00000000 0.00000000 6.52323453 1 Ba Ba2 1 2.94162316 0.00000000 2.92133495 1 Se Se3 1 0.00000000 0.00000000 1.92819864 1 [/CIF]
As2BaSe
Cmm2
35
orthorhombic
mm2
4,910.657034
false
[CIF] data_HfCd2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75497942 _cell_length_b 4.75497942 _cell_length_c 4.75497942 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCd2Pt _chemical_formula_sum 'Hf1 Cd2 Pt1' _cell_volume 76.02053578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.68113910 1.68113910 1.68113910 1 Hf Hf2 1 3.36227819 3.36227819 3.36227819 1 Pt Pt3 1 5.04341729 5.04341729 5.04341729 1 [/CIF]
Cd2HfPt
F-43m
216
cubic
-43m
13,070.940965
false
[CIF] data_AlVNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11767330 _cell_length_b 4.11767330 _cell_length_c 2.63856706 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVNi _chemical_formula_sum 'Al1 V1 Ni1' _cell_volume 38.74382910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.15172407 1 Ni Ni1 1 2.05883665 1.18866989 0.85212470 1 V V2 1 0.00000000 2.37733979 1.63471829 1 [/CIF]
AlNiV
P3m1
156
trigonal
3m
5,855.304926
false
[CIF] data_TcAgP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20609024 _cell_length_b 4.20609024 _cell_length_c 5.22150833 _cell_angle_alpha 97.27809028 _cell_angle_beta 97.27809028 _cell_angle_gamma 43.49829337 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAgP2 _chemical_formula_sum 'Tc1 Ag1 P2' _cell_volume 62.99034378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.55058740 -0.00000000 2.58635561 1 P P1 1 1.56279456 0.00000000 4.22219849 1 P P2 1 5.53838024 0.00000000 0.95051274 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgP2Tc
C2/m
12
monoclinic
2/m
7,083.994562
false
[CIF] data_Mg2TaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24943765 _cell_length_b 5.24943765 _cell_length_c 5.24943765 _cell_angle_alpha 135.30564386 _cell_angle_beta 135.30564386 _cell_angle_gamma 65.05566723 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TaCu _chemical_formula_sum 'Mg2 Ta1 Cu1' _cell_volume 70.52743297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.99592995 -0.00000000 2.21298006 1 Mg Mg2 1 0.00000000 1.99592995 2.21298005 1 Ta Ta3 1 0.00000000 -0.00000000 4.42596011 1 [/CIF]
CuMg2Ta
I4/mmm
139
tetragonal
4/mmm
6,901.00891
false
[CIF] data_K2LaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01403091 _cell_length_b 4.01804655 _cell_length_c 11.05815207 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.57490886 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LaAg _chemical_formula_sum 'K2 La1 Ag1' _cell_volume 178.34312434 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02236131 0.00000000 7.85888936 1 K K1 1 3.78499065 2.00902328 10.26427750 1 K K2 1 1.91261386 0.00000000 3.08175648 1 La La3 1 0.03070541 2.00902328 6.43906514 1 [/CIF]
AgK2La
Pm
6
monoclinic
m
3,025.773104
false
[CIF] data_SiNi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70788072 _cell_length_b 4.97846902 _cell_length_c 4.97846902 _cell_angle_alpha 31.85934912 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiNi2Ir _chemical_formula_sum 'Si1 Ni2 Ir1' _cell_volume 48.50832378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.85394036 0.00000000 4.04821297 1 Ni Ni1 1 0.00000000 -0.00000000 0.79086619 1 Ni Ni2 1 1.85394036 -0.00000000 6.55394101 1 Si Si3 1 0.00000000 0.00000000 7.87552662 1 [/CIF]
IrNi2Si
Amm2
38
orthorhombic
mm2
11,559.799478
false
[CIF] data_V3Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67811440 _cell_length_b 4.67811440 _cell_length_c 4.67811440 _cell_angle_alpha 133.57882069 _cell_angle_beta 133.57882069 _cell_angle_gamma 67.74659533 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Cu _chemical_formula_sum 'V3 Cu1' _cell_volume 52.81190093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 1.84370000 0.00000000 1.94205400 1 V V1 1 -0.00000000 1.84370000 1.94205400 1 V V2 1 -0.00000000 0.00000000 -0.00000000 1 Cu Cu3 1 -0.00000000 0.00000000 3.88410800 1 [/CIF]
CuV3
I4/mmm
139
tetragonal
4/mmm
6,803.233017
false
[CIF] data_MnAgHgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47393499 _cell_length_b 4.47393499 _cell_length_c 4.47393499 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAgHgRu _chemical_formula_sum 'Mn1 Ag1 Hg1 Ru1' _cell_volume 63.32191050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 4.74532466 4.74532466 4.74532466 1 Hg Hg1 1 1.58177489 1.58177489 1.58177488 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 3.16354977 3.16354977 3.16354977 1 [/CIF]
AgHgMnRu
F-43m
216
cubic
-43m
12,180.054879
false
[CIF] data_TiNbZnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49373793 _cell_length_b 4.49373793 _cell_length_c 4.49373793 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbZnPt _chemical_formula_sum 'Ti1 Nb1 Zn1 Pt1' _cell_volume 64.16648131 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.76632884 4.76632884 4.76632884 1 Pt Pt1 1 1.58877628 1.58877628 1.58877628 1 Ti Ti2 1 -0.00000000 -0.00000000 0.00000000 1 Zn Zn3 1 3.17755256 3.17755256 3.17755256 1 [/CIF]
NbPtTiZn
F-43m
216
cubic
-43m
10,383.463935
false
[CIF] data_NbSbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87215622 _cell_length_b 4.87215622 _cell_length_c 4.87215622 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSbSe2 _chemical_formula_sum 'Nb1 Sb1 Se2' _cell_volume 81.78028436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.44513470 3.44513470 3.44513470 1 Sb Sb1 1 5.16770205 5.16770205 5.16770205 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 1.72256735 1.72256735 1.72256735 1 [/CIF]
NbSbSe2
F-43m
216
cubic
-43m
7,565.322675
false
[CIF] data_Hg5Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82867311 _cell_length_b 5.82867311 _cell_length_c 5.82867311 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg5Pt _chemical_formula_sum 'Hg5 Pt1' _cell_volume 140.02129824 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.15623889 5.15623889 3.08674967 1 Hg Hg1 1 6.18224142 6.18224142 6.18224142 1 Hg Hg2 1 3.08674967 5.15623889 5.15623889 1 Hg Hg3 1 3.08674967 3.08674967 3.08674967 1 Hg Hg4 1 5.15623889 3.08674967 5.15623889 1 Pt Pt5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg5Pt
F-43m
216
cubic
-43m
14,207.711863
false
[CIF] data_LiTaCoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30688352 _cell_length_b 4.30688352 _cell_length_c 4.30688352 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaCoIr _chemical_formula_sum 'Li1 Ta1 Co1 Ir1' _cell_volume 56.49036491 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.56813981 4.56813981 4.56813981 1 Ir Ir1 1 3.04542654 3.04542654 3.04542654 1 Li Li2 1 -0.00000000 -0.00000000 0.00000000 1 Ta Ta3 1 1.52271327 1.52271327 1.52271327 1 [/CIF]
CoIrLiTa
F-43m
216
cubic
-43m
12,905.590837
false
[CIF] data_MgCdFePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54299192 _cell_length_b 4.54299192 _cell_length_c 4.54299192 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCdFePd _chemical_formula_sum 'Mg1 Cd1 Fe1 Pd1' _cell_volume 66.29959782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.21238039 3.21238039 3.21238039 1 Fe Fe1 1 1.60619019 1.60619020 1.60619020 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 4.81857059 4.81857059 4.81857059 1 [/CIF]
CdFeMgPd
F-43m
216
cubic
-43m
7,488.275148
false
[CIF] data_NbGaC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87249274 _cell_length_b 3.87249274 _cell_length_c 3.87249274 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGaC3 _chemical_formula_sum 'Nb1 Ga1 C3' _cell_volume 58.07267571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93624637 1.93624637 1.93624637 1 C C1 1 0.00000000 1.93624637 0.00000000 1 C C2 1 0.00000000 0.00000000 1.93624637 1 C C3 1 1.93624637 0.00000000 0.00000000 1 Ga Ga4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C3GaNb
Pm-3m
221
cubic
m-3m
5,680.55707
false
[CIF] data_HfScV4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20392682 _cell_length_b 5.20392682 _cell_length_c 5.20392682 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScV4 _chemical_formula_sum 'Hf1 Sc1 V4' _cell_volume 99.65028453 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 5.51959791 5.51959791 5.51959791 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 4.59818575 4.59818575 2.76127813 1 V V3 1 4.59818575 2.76127813 4.59818575 1 V V4 1 2.76127813 4.59818575 4.59818575 1 V V5 1 2.76127813 2.76127813 2.76127813 1 [/CIF]
HfScV4
F-43m
216
cubic
-43m
7,118.916649
false
[CIF] data_MgSbPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67625755 _cell_length_b 4.67625755 _cell_length_c 5.23956664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSbPb2 _chemical_formula_sum 'Mg1 Sb1 Pb2' _cell_volume 114.57561924 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 0.00000000 2.33812877 2.61978332 1 Pb Pb2 1 2.33812877 0.00000000 2.61978332 1 Sb Sb3 1 2.33812877 2.33812877 0.00000000 1 [/CIF]
MgPb2Sb
P4/mmm
123
tetragonal
4/mmm
8,122.792913
false
[CIF] data_Na2CuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37379249 _cell_length_b 5.37379249 _cell_length_c 2.55240026 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CuIr _chemical_formula_sum 'Na2 Cu1 Ir1' _cell_volume 73.70731046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 2.68689624 2.68689624 0.00000000 1 Na Na2 1 2.68689624 0.00000000 1.27620013 1 Na Na3 1 0.00000000 2.68689624 1.27620013 1 [/CIF]
CuIrNa2
P4/mmm
123
tetragonal
4/mmm
6,797.904716
false
[CIF] data_NaY2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56514197 _cell_length_b 3.56514197 _cell_length_c 9.03908188 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaY2V _chemical_formula_sum 'Na1 Y2 V1' _cell_volume 114.88887536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 0.00000000 0.00000000 4.51954094 1 Y Y2 1 1.78257098 1.78257098 6.22947509 1 Y Y3 1 1.78257098 1.78257098 2.80960679 1 [/CIF]
NaVY2
P4/mmm
123
tetragonal
4/mmm
3,638.551025
false
[CIF] data_Ta2HgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.08081052 _cell_length_b 10.08081052 _cell_length_c 10.08081052 _cell_angle_alpha 17.90318567 _cell_angle_beta 17.90318567 _cell_angle_gamma 17.90318567 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2HgBi _chemical_formula_sum 'Ta2 Hg1 Bi1' _cell_volume 84.52210843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.87514361 1 Hg Hg1 1 -0.00000000 -0.00000000 -0.00000000 1 Ta Ta2 1 -0.00000000 -0.00000000 7.50688551 1 Ta Ta3 1 -0.00000000 0.00000000 22.24340171 1 [/CIF]
BiHgTa2
R-3m
166
trigonal
-3m
15,156.385964
false
[CIF] data_GeMoP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70659018 _cell_length_b 4.70659018 _cell_length_c 4.70659018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeMoP3 _chemical_formula_sum 'Ge1 Mo1 P3' _cell_volume 104.26034388 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35329509 0.00000000 2.35329509 1 P P1 1 2.35329509 2.35329509 0.00000000 1 P P2 1 0.00000000 2.35329509 2.35329509 1 Mo Mo3 1 2.35329509 2.35329509 2.35329509 1 Ge Ge4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeMoP3
Pm-3m
221
cubic
m-3m
4,165.210817
false
[CIF] data_MnZnFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87031669 _cell_length_b 3.87031669 _cell_length_c 3.87031669 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZnFe _chemical_formula_sum 'Mn1 Zn1 Fe1' _cell_volume 40.99439788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.73672718 2.73672718 2.73672718 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 4.10509077 4.10509077 4.10509077 1 [/CIF]
FeMnZn
F-43m
216
cubic
-43m
7,135.746185
false
[CIF] data_Al2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05318474 _cell_length_b 4.05318474 _cell_length_c 4.05318474 _cell_angle_alpha 120.34887587 _cell_angle_beta 118.46146006 _cell_angle_gamma 91.04103723 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2Cu _chemical_formula_sum 'Al2 Cu1' _cell_volume 47.48317814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01589625 0.00000000 1.44571255 1 Al Al1 1 0.00000000 2.07353674 1.39416670 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al4Cu2
Immm
71
orthorhombic
mmm
4,109.421926
false
[CIF] data_K2InGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82299301 _cell_length_b 6.60530811 _cell_length_c 6.60530811 _cell_angle_alpha 51.03252322 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2InGa _chemical_formula_sum 'K2 In1 Ga1' _cell_volume 163.60813799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.50905089 1 In In1 1 2.41149650 -0.00000000 8.42067520 1 K K2 1 0.00000000 0.00000000 1.19084257 1 K K3 1 2.41149650 0.00000000 4.76763689 1 [/CIF]
GaInK2
Amm2
38
orthorhombic
mm2
2,666.672419
false
[CIF] data_CaRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07423463 _cell_length_b 4.07423463 _cell_length_c 4.07423463 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaRe3 _chemical_formula_sum 'Ca1 Re3' _cell_volume 67.62980069 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 2.03711732 2.03711732 0.00000000 1 Re Re2 1 2.03711732 0.00000000 2.03711732 1 Re Re3 1 0.00000000 2.03711732 2.03711732 1 [/CIF]
CaRe3
Pm-3m
221
cubic
m-3m
14,700.074057
false
[CIF] data_ZrNiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30512129 _cell_length_b 4.30512129 _cell_length_c 4.30512129 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNiIr _chemical_formula_sum 'Zr1 Ni1 Ir1' _cell_volume 56.42105175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04418046 3.04418046 3.04418046 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.52209023 1.52209023 1.52209023 1 [/CIF]
IrNiZr
F-43m
216
cubic
-43m
10,069.424791
false
[CIF] data_KCa2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88492308 _cell_length_b 4.45584234 _cell_length_c 9.05780466 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCa2Ge _chemical_formula_sum 'K1 Ca2 Ge1' _cell_volume 156.79607635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94246154 2.22792117 0.60112356 1 Ca Ca1 1 0.00000000 0.00000000 2.94049735 1 Ge Ge2 1 1.94246154 2.22792117 3.66954800 1 K K3 1 0.00000000 0.00000000 6.37553816 1 [/CIF]
Ca2GeK
Pmm2
25
orthorhombic
mm2
2,032.244615
false
[CIF] data_BaYMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64837998 _cell_length_b 6.64837998 _cell_length_c 5.98515973 _cell_angle_alpha 110.82681375 _cell_angle_beta 110.82681375 _cell_angle_gamma 32.56506174 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYMg2 _chemical_formula_sum 'Ba1 Y1 Mg2' _cell_volume 132.26743803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67198200 -0.00000000 4.40193281 1 Mg Mg1 1 -1.83731315 -0.00000000 5.54119542 1 Mg Mg2 1 8.71022380 -0.00000000 1.50541031 1 Y Y3 1 5.05799294 -0.00000000 2.45007959 1 [/CIF]
BaMg2Y
Cm
8
monoclinic
m
3,450.488619
false
[CIF] data_VCrCuTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36389638 _cell_length_b 4.36389638 _cell_length_c 4.36389638 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCrCuTe _chemical_formula_sum 'V1 Cr1 Cu1 Te1' _cell_volume 58.76358611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 1.54287036 1.54287036 1.54287036 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Cr Cr2 1 4.62861108 4.62861108 4.62861108 1 Cu Cu3 1 3.08574072 3.08574072 3.08574072 1 [/CIF]
CrCuTeV
F-43m
216
cubic
-43m
8,310.202609
false
[CIF] data_CuPd2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35807580 _cell_length_b 4.35807580 _cell_length_c 4.35807580 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPd2Rh _chemical_formula_sum 'Cu1 Pd2 Rh1' _cell_volume 58.52876236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.08162495 3.08162495 3.08162495 1 Pd Pd2 1 4.62243743 4.62243743 4.62243743 1 Rh Rh3 1 1.54081248 1.54081248 1.54081248 1 [/CIF]
CuPd2Rh
F-43m
216
cubic
-43m
10,761.005837
false
[CIF] data_ScMnRhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40291098 _cell_length_b 4.40291098 _cell_length_c 4.40291098 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMnRhW _chemical_formula_sum 'Sc1 Mn1 Rh1 W1' _cell_volume 60.35381345 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.66999232 4.66999232 4.66999232 1 Rh Rh1 1 1.55666411 1.55666411 1.55666411 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.11332821 3.11332821 3.11332821 1 [/CIF]
MnRhScW
F-43m
216
cubic
-43m
10,637.768955
false
[CIF] data_Ba2LiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77372941 _cell_length_b 5.77372941 _cell_length_c 5.77372941 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiW _chemical_formula_sum 'Ba2 Li1 W1' _cell_volume 136.09879565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.12396483 6.12396483 6.12396483 1 Ba Ba1 1 2.04132161 2.04132161 2.04132161 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 4.08264322 4.08264322 4.08264322 1 [/CIF]
Ba2LiW
Fm-3m
225
cubic
m-3m
5,678.764435
false
[CIF] data_AlFe2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06400259 _cell_length_b 4.06400259 _cell_length_c 4.06400259 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFe2Co _chemical_formula_sum 'Al1 Fe2 Co1' _cell_volume 47.46209784 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.87368379 2.87368379 2.87368379 1 Fe Fe2 1 4.31052568 4.31052569 4.31052569 1 Fe Fe3 1 1.43684190 1.43684190 1.43684190 1 [/CIF]
AlCoFe2
Fm-3m
225
cubic
m-3m
6,913.524577
false
[CIF] data_TcAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94561414 _cell_length_b 4.94561414 _cell_length_c 7.69667644 _cell_angle_alpha 109.72767343 _cell_angle_beta 109.72767343 _cell_angle_gamma 35.71751346 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAg2 _chemical_formula_sum 'Tc2 Ag4' _cell_volume 102.75742630 _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 Ag Ag0 1 -1.92226014 -0.00000000 5.42760427 1 Ag Ag1 1 0.64488660 -0.00000000 6.49017422 1 Ag Ag2 1 6.04020263 -0.00000000 0.70624651 1 Ag Ag3 1 8.60734937 -0.00000000 1.76881645 1 Tc Tc4 1 4.84216219 -0.00000000 3.95675871 1 Tc Tc5 1 1.84292704 -0.00000000 3.23966201 1 [/CIF]
Ag4Tc2
C2/m
12
monoclinic
2/m
10,169.120581
false
[CIF] data_Lu2NiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76650499 _cell_length_b 4.76650499 _cell_length_c 4.76650499 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2NiPd _chemical_formula_sum 'Lu2 Ni1 Pd1' _cell_volume 76.57467422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.05564200 5.05564200 5.05564200 1 Lu Lu1 1 1.68521400 1.68521400 1.68521400 1 Ni Ni2 1 -0.00000000 -0.00000000 -0.00000000 1 Pd Pd3 1 3.37042800 3.37042800 3.37042800 1 [/CIF]
Lu2NiPd
Fm-3m
225
cubic
m-3m
11,168.910261
false
[CIF] data_YHfScMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88374322 _cell_length_b 4.88374322 _cell_length_c 4.88374322 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfScMn _chemical_formula_sum 'Y1 Hf1 Sc1 Mn1' _cell_volume 82.36514488 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 5.17999192 5.17999193 5.17999193 1 Mn Mn1 1 3.45332795 3.45332795 3.45332795 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 1.72666397 1.72666397 1.72666397 1 [/CIF]
HfMnScY
F-43m
216
cubic
-43m
7,404.820014
false
[CIF] data_AlGa2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13601662 _cell_length_b 3.72706009 _cell_length_c 5.17310221 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGa2Os _chemical_formula_sum 'Al1 Ga2 Os1' _cell_volume 60.46385175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.56800831 1.86353005 1.33688724 1 Ga Ga2 1 1.56800831 1.86353005 3.83621497 1 Os Os3 1 0.00000000 0.00000000 2.58655111 1 [/CIF]
AlGa2Os
Pmmm
47
orthorhombic
mmm
9,795.005762
false
[CIF] data_LaNbCoCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70498091 _cell_length_b 4.70498091 _cell_length_c 4.70498091 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbCoCu _chemical_formula_sum 'La1 Nb1 Co1 Cu1' _cell_volume 73.64760027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 3.32692391 3.32692391 3.32692391 1 La La2 1 4.99038587 4.99038587 4.99038587 1 Nb Nb3 1 1.66346196 1.66346196 1.66346196 1 [/CIF]
CoCuLaNb
F-43m
216
cubic
-43m
7,988.232054
false
[CIF] data_CdGaP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67192802 _cell_length_b 3.39830070 _cell_length_c 8.44242138 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.91652224 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGaP2 _chemical_formula_sum 'Cd1 Ga1 P2' _cell_volume 75.73092426 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.13937855 1.69915035 4.17130619 1 Ga Ga1 1 -0.10105518 0.00000000 1.92487636 1 P P2 1 1.17707709 1.69915035 8.14661773 1 P P3 1 1.19308103 0.00000000 6.60819098 1 [/CIF]
CdGaP2
Pm
6
monoclinic
m
5,351.933969
false
[CIF] data_LaBeAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63393173 _cell_length_b 4.63393173 _cell_length_c 4.63393173 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeAl3 _chemical_formula_sum 'La1 Be1 Al3' _cell_volume 99.50591409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 0.00000000 2.31696586 0.00000000 1 Al Al2 1 0.00000000 0.00000000 2.31696586 1 Al Al3 1 2.31696586 0.00000000 0.00000000 1 La La4 1 2.31696586 2.31696586 2.31696586 1 [/CIF]
Al3BeLa
Pm-3m
221
cubic
m-3m
3,819.217582
false
[CIF] data_HgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58053731 _cell_length_b 5.58053731 _cell_length_c 6.65656532 _cell_angle_alpha 105.12184149 _cell_angle_beta 105.12184149 _cell_angle_gamma 29.40227583 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgOs2 _chemical_formula_sum 'Hg2 Os4' _cell_volume 98.00092465 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 10.75499665 0.00000000 0.08687483 1 Hg Hg1 1 2.42316936 0.00000000 4.33569589 1 Os Os2 1 6.69119060 0.00000000 2.10294436 1 Os Os3 1 5.99982138 0.00000000 6.09242271 1 Os Os4 1 -0.32193967 0.00000000 3.68002279 1 Os Os5 1 3.55246805 0.00000000 1.86341945 1 [/CIF]
Hg2Os4
Cm
8
monoclinic
m
19,690.757573
false
[CIF] data_TiBeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73150849 _cell_length_b 4.73150849 _cell_length_c 4.73150849 _cell_angle_alpha 137.56529976 _cell_angle_beta 120.11841769 _cell_angle_gamma 76.12316017 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBeAs2 _chemical_formula_sum 'Ti1 Be1 As2' _cell_volume 60.25797009 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71236546 -0.00000000 1.59098727 1 As As1 1 -0.00000000 2.36151856 2.13435932 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 3.72534659 1 [/CIF]
As2BeTi
Immm
71
orthorhombic
mmm
5,696.683621
false
[CIF] data_SrCrHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88431096 _cell_length_b 4.88431096 _cell_length_c 5.93962040 _cell_angle_alpha 113.27239726 _cell_angle_beta 113.27239726 _cell_angle_gamma 58.75739605 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCrHg2 _chemical_formula_sum 'Sr1 Cr1 Hg2' _cell_volume 107.98033316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.12918045 -0.00000000 4.51425348 1 Hg Hg2 1 5.69005505 0.00000000 0.77973133 1 Sr Sr3 1 2.90961775 -0.00000000 2.64699240 1 [/CIF]
CrHg2Sr
C2/m
12
monoclinic
2/m
8,316.450087
false
[CIF] data_BePbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46663193 _cell_length_b 4.46663193 _cell_length_c 4.46663193 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePbW _chemical_formula_sum 'Be1 Pb1 W1' _cell_volume 63.01232467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 4.73757860 4.73757860 4.73757860 1 W W2 1 3.15838573 3.15838573 3.15838573 1 [/CIF]
BePbW
F-43m
216
cubic
-43m
10,542.418175
false
[CIF] data_BaBeCdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00887001 _cell_length_b 5.00887001 _cell_length_c 5.00887001 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeCdRu _chemical_formula_sum 'Ba1 Be1 Cd1 Ru1' _cell_volume 88.85958594 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77090298 1.77090297 1.77090297 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 3.54180595 3.54180595 3.54180595 1 Ru Ru3 1 5.31270893 5.31270893 5.31270892 1 [/CIF]
BaBeCdRu
F-43m
216
cubic
-43m
6,724.040663
false
[CIF] data_TcTeW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32408369 _cell_length_b 5.32408369 _cell_length_c 5.32408369 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcTeW4 _chemical_formula_sum 'Tc1 Te1 W4' _cell_volume 106.71356352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 5.64704352 5.64704352 5.64704352 1 W W2 1 4.70236949 2.82702187 4.70236949 1 W W3 1 2.82702187 4.70236949 4.70236949 1 W W4 1 2.82702187 2.82702187 2.82702187 1 W W5 1 4.70236949 4.70236949 2.82702187 1 [/CIF]
TcTeW4
F-43m
216
cubic
-43m
14,967.323265
false
[CIF] data_Zr2TaFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54922896 _cell_length_b 5.54922896 _cell_length_c 5.54922896 _cell_angle_alpha 146.11747809 _cell_angle_beta 128.65730983 _cell_angle_gamma 62.94514231 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TaFe _chemical_formula_sum 'Zr2 Ta1 Fe1' _cell_volume 73.59092581 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.82467972 1 Ta Ta1 1 0.00000000 2.40397250 2.08581220 1 Zr Zr2 1 0.00000000 -0.00000000 9.43606241 1 Zr Zr3 1 1.61699625 0.00000000 2.58497754 1 [/CIF]
FeTaZr2
Imm2
44
orthorhombic
mm2
9,460.050465
false
[CIF] data_SiNiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07263803 _cell_length_b 3.07263803 _cell_length_c 4.81496000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiNiP _chemical_formula_sum 'Si1 Ni1 P1' _cell_volume 39.36825068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 1.53631903 0.88699419 0.03755187 1 P P1 1 0.00000002 1.77398838 1.52174726 1 Si Si2 1 0.00000000 0.00000000 3.25566082 1 [/CIF]
NiPSi
P3m1
156
trigonal
3m
4,966.766172
false