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_LaYZrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14686550 _cell_length_b 5.14686550 _cell_length_c 5.14686550 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYZrRu _chemical_formula_sum 'La1 Y1 Zr1 Ru1' _cell_volume 96.40808603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 3.63938350 3.63938350 3.63938350 1 Ru Ru1 1 5.45907525 5.45907525 5.45907525 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 1.81969175 1.81969175 1.81969175 1 [/CIF]
LaRuYZr
F-43m
216
cubic
-43m
7,235.921017
false
[CIF] data_Sc2AlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25889920 _cell_length_b 3.25889920 _cell_length_c 6.93496116 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2AlCu _chemical_formula_sum 'Sc2 Al1 Cu1' _cell_volume 73.65222769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 0.00000000 0.00000000 3.46748058 1 Sc Sc2 1 1.62944960 1.62944960 5.09006364 1 Sc Sc3 1 1.62944960 1.62944960 1.84489752 1 [/CIF]
AlCuSc2
P4/mmm
123
tetragonal
4/mmm
4,068.128108
false
[CIF] data_NaTlCrSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20054315 _cell_length_b 5.20054315 _cell_length_c 5.20054315 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTlCrSn _chemical_formula_sum 'Na1 Tl1 Cr1 Sn1' _cell_volume 99.45602913 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.51600900 5.51600900 5.51600900 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.67733933 3.67733933 3.67733933 1 Tl Tl3 1 1.83866967 1.83866967 1.83866967 1 [/CIF]
CrNaSnTl
F-43m
216
cubic
-43m
6,646.414682
false
[CIF] data_Li4IrSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82478931 _cell_length_b 4.82478931 _cell_length_c 4.82478931 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4IrSe _chemical_formula_sum 'Li4 Ir1 Se1' _cell_volume 79.41820414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70582062 1.70582062 1.70582062 1 Li Li1 1 2.57941708 2.57941708 4.24386540 1 Li Li2 1 2.57941708 4.24386540 2.57941708 1 Li Li3 1 4.24386540 2.57941708 2.57941708 1 Li Li4 1 4.24386540 4.24386540 4.24386540 1 Se Se5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrLi4Se
F-43m
216
cubic
-43m
6,250.496527
false
[CIF] data_SrCrTcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60170095 _cell_length_b 4.60170095 _cell_length_c 4.60170095 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCrTcMo _chemical_formula_sum 'Sr1 Cr1 Tc1 Mo1' _cell_volume 68.90332487 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.25389395 3.25389395 3.25389395 1 Sr Sr2 1 4.88084093 4.88084093 4.88084093 1 Tc Tc3 1 1.62694698 1.62694698 1.62694698 1 [/CIF]
CrMoSrTc
F-43m
216
cubic
-43m
8,060.872639
false
[CIF] data_K2MnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59848117 _cell_length_b 5.59848117 _cell_length_c 5.59848117 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2MnW _chemical_formula_sum 'K2 Mn1 W1' _cell_volume 124.07825235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.93808600 5.93808600 5.93808600 1 K K1 1 1.97936200 1.97936200 1.97936200 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.95872400 3.95872400 3.95872400 1 [/CIF]
K2MnW
Fm-3m
225
cubic
m-3m
4,242.071202
false
[CIF] data_TcOsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31443786 _cell_length_b 4.31443786 _cell_length_c 2.72105727 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcOsRu _chemical_formula_sum 'Tc1 Os1 Ru1' _cell_volume 43.86486032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15721895 1.24547092 0.00000000 1 Ru Ru1 1 0.00000002 2.49094185 1.36052864 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsRuTc
P-6m2
187
hexagonal
-6m2
14,771.565083
false
[CIF] data_TaZn2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18390865 _cell_length_b 5.18390865 _cell_length_c 5.02885018 _cell_angle_alpha 114.35319068 _cell_angle_beta 114.35319068 _cell_angle_gamma 32.26307099 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZn2Ge _chemical_formula_sum 'Ta1 Zn2 Ge1' _cell_volume 65.15418904 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.06891246 -0.00000000 1.80340411 1 Ta Ta1 1 6.71737668 0.00000000 1.58626917 1 Zn Zn2 1 -1.94811012 -0.00000000 4.16364977 1 Zn Zn3 1 0.70448487 0.00000000 3.80157012 1 [/CIF]
GeTaZn2
Cm
8
monoclinic
m
9,795.604539
false
[CIF] data_LaCuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92943064 _cell_length_b 5.92943064 _cell_length_c 5.92943064 _cell_angle_alpha 139.95309694 _cell_angle_beta 129.75053698 _cell_angle_gamma 66.11111626 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCuBr2 _chemical_formula_sum 'La1 Cu1 Br2' _cell_volume 101.60764919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.86473724 1 Br Br1 1 2.03026514 0.00000000 2.68460322 1 Cu Cu2 1 0.00000000 0.00000000 5.14225065 1 La La3 1 0.00000000 2.51757855 2.18722947 1 [/CIF]
Br2CuLa
Imm2
44
orthorhombic
mm2
5,920.282646
false
[CIF] data_ZrCrMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54108575 _cell_length_b 4.54108575 _cell_length_c 4.54108575 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCrMoPd _chemical_formula_sum 'Zr1 Cr1 Mo1 Pd1' _cell_volume 66.21617829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.81654880 4.81654880 4.81654880 1 Pd Pd2 1 1.60551627 1.60551627 1.60551626 1 Zr Zr3 1 3.21103253 3.21103253 3.21103253 1 [/CIF]
CrMoPdZr
F-43m
216
cubic
-43m
8,666.801412
false
[CIF] data_Cr4CdGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89908358 _cell_length_b 4.89908358 _cell_length_c 4.89908358 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr4CdGa _chemical_formula_sum 'Cr4 Cd1 Ga1' _cell_volume 83.14373843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73208761 1.73208761 1.73208761 1 Cr Cr1 1 2.59958510 2.59958510 4.32876534 1 Cr Cr2 1 2.59958510 4.32876534 2.59958510 1 Cr Cr3 1 4.32876534 2.59958510 2.59958510 1 Cr Cr4 1 4.32876534 4.32876534 4.32876534 1 Ga Ga5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCr4Ga
F-43m
216
cubic
-43m
7,791.408662
false
[CIF] data_Sb2Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01846496 _cell_length_b 6.16796301 _cell_length_c 8.52413386 _cell_angle_alpha 54.24320471 _cell_angle_beta 45.49310055 _cell_angle_gamma 80.26369473 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2Pt3 _chemical_formula_sum 'Sb4 Pt6' _cell_volume 194.24343959 _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 Pt Pt0 1 5.01413249 4.77266829 2.10976869 1 Pt Pt1 1 6.07151367 8.17923819 2.10976869 1 Pt Pt2 1 7.78554403 11.41721481 3.46262493 1 Pt Pt3 1 8.84292521 8.01064491 3.46262493 1 Pt Pt4 1 5.54282308 6.47595324 5.34189868 1 Pt Pt5 1 2.77141154 3.23797662 1.28332998 1 Sb Sb6 1 7.28955326 5.76726857 3.33641938 1 Sb Sb7 1 3.79609290 7.18463791 3.33641938 1 Sb Sb8 1 10.06096480 10.42261453 4.68927561 1 Sb Sb9 1 6.56750444 9.00524519 4.68927561 1 [/CIF]
Pt6Sb4
Fdd2
43
orthorhombic
mm2
14,169.933216
false
[CIF] data_Cu2BPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03714006 _cell_length_b 3.03714006 _cell_length_c 6.86885973 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2BPb _chemical_formula_sum 'Cu2 B1 Pb1' _cell_volume 63.35987133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.07875135 1 Cu Cu1 1 1.51857003 1.51857003 6.43265149 1 Cu Cu2 1 0.00000000 0.00000000 1.23022954 1 Pb Pb3 1 1.51857003 1.51857003 3.43051695 1 [/CIF]
BCu2Pb
P4mm
99
tetragonal
4mm
9,045.154634
false
[CIF] data_TlNiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72780841 _cell_length_b 4.72780841 _cell_length_c 4.72780841 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNiSb _chemical_formula_sum 'Tl1 Ni1 Sb1' _cell_volume 74.72477395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 3.34306539 3.34306539 3.34306539 1 Tl Tl2 1 5.01459809 5.01459809 5.01459809 1 [/CIF]
NiSbTl
F-43m
216
cubic
-43m
8,551.867618
false
[CIF] data_LiZnRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23766007 _cell_length_b 4.23766007 _cell_length_c 4.23766007 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZnRe2 _chemical_formula_sum 'Li1 Zn1 Re2' _cell_volume 53.81004435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.49823909 1.49823909 1.49823909 1 Re Re2 1 4.49471726 4.49471726 4.49471726 1 Zn Zn3 1 2.99647817 2.99647817 2.99647817 1 [/CIF]
LiRe2Zn
Fm-3m
225
cubic
m-3m
13,724.200578
false
[CIF] data_Al2AgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95427445 _cell_length_b 2.95427445 _cell_length_c 7.98800514 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2AgGe _chemical_formula_sum 'Al2 Ag1 Ge1' _cell_volume 69.71721222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47713723 1.47713723 6.09223712 1 Al Al1 1 0.00000000 0.00000000 0.01951845 1 Al Al2 1 1.47713723 1.47713723 1.92760405 1 Ge Ge3 1 0.00000000 0.00000000 3.94264800 1 [/CIF]
AgAl2Ge
P4mm
99
tetragonal
4mm
5,584.685667
false
[CIF] data_CaCuBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49581954 _cell_length_b 3.49581954 _cell_length_c 8.90443511 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.62587642 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCuBi2 _chemical_formula_sum 'Ca1 Cu1 Bi2' _cell_volume 108.77510280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.64813353 1 Bi Bi1 1 2.43659739 0.00000000 6.45990152 1 Ca Ca2 1 0.00000000 0.00000000 4.07778054 1 Cu Cu3 1 2.43659739 0.00000000 2.17083699 1 [/CIF]
Bi2CaCu
Cmm2
35
orthorhombic
mm2
7,962.40973
false
[CIF] data_LaSn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79327999 _cell_length_b 6.43291959 _cell_length_c 6.43291959 _cell_angle_alpha 40.42679636 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSn2Rh _chemical_formula_sum 'La1 Sn2 Rh1' _cell_volume 101.79467191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.89663999 -0.00000000 6.29125735 1 Rh Rh1 1 0.00000000 0.00000000 11.76614964 1 Sn Sn2 1 1.89663999 -0.00000000 9.69637018 1 Sn Sn3 1 0.00000000 0.00000000 2.42603168 1 [/CIF]
LaRhSn2
Amm2
38
orthorhombic
mm2
7,817.541163
false
[CIF] data_La2TiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69304041 _cell_length_b 3.69304041 _cell_length_c 7.63047154 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TiPt _chemical_formula_sum 'La2 Ti1 Pt1' _cell_volume 104.06854832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.84652021 1.84652021 2.08235454 1 La La1 1 1.84652021 1.84652021 5.54811700 1 Pt Pt2 1 0.00000000 0.00000000 3.81523577 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2PtTi
P4/mmm
123
tetragonal
4/mmm
8,309.384149
false
[CIF] data_LaCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61055809 _cell_length_b 7.61055809 _cell_length_c 4.37056301 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCl3 _chemical_formula_sum 'La2 Cl6' _cell_volume 219.23052703 _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 Cl Cl0 1 -1.14979760 6.01802745 3.27792226 1 Cl Cl1 1 -0.83158681 2.58616899 3.27792226 1 Cl Cl2 1 1.98138441 4.57767685 3.27792226 1 Cl Cl3 1 4.95507664 0.57290919 1.09264075 1 Cl Cl4 1 4.63686585 4.00476765 1.09264075 1 Cl Cl5 1 1.82389464 2.01325980 1.09264075 1 La La6 1 3.80527905 2.19697888 3.27792226 1 La La7 1 -0.00000000 4.39395776 1.09264075 1 [/CIF]
Cl6La2
P6_3/m
176
hexagonal
6/m
3,715.512072
false
[CIF] data_K2Mg(CO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20329589 _cell_length_b 5.20329589 _cell_length_c 6.72977767 _cell_angle_alpha 114.46497127 _cell_angle_beta 114.46497127 _cell_angle_gamma 60.31303737 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Mg(CO3)2 _chemical_formula_sum 'K2 Mg1 C2 O6' _cell_volume 138.95145854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.11600385 0.00000000 3.76956346 1 K K1 1 5.89082627 -0.00000000 2.13807800 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 C C3 1 2.87561273 0.00000000 4.67801906 1 C C4 1 2.89920969 0.00000000 1.22962240 1 O O5 1 4.17515766 0.00000000 4.52066324 1 O O6 1 1.59966476 -0.00000000 1.38697822 1 O O7 1 2.24084812 1.13109501 4.72449442 1 O O8 1 2.24084812 -1.13109501 4.72449442 1 O O9 1 3.53397430 -1.13109501 1.18314705 1 O O10 1 3.53397430 1.13109501 1.18314705 1 [/CIF]
C2K2MgO6
C2/m
12
monoclinic
2/m
2,659.217547
false
[CIF] data_CaAlCrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10285703 _cell_length_b 5.10285703 _cell_length_c 5.10285703 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAlCrBi _chemical_formula_sum 'Ca1 Al1 Cr1 Bi1' _cell_volume 93.95614819 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 3.60826481 3.60826481 3.60826481 1 Ca Ca2 1 5.41239722 5.41239722 5.41239722 1 Cr Cr3 1 1.80413241 1.80413241 1.80413240 1 [/CIF]
AlBiCaCr
F-43m
216
cubic
-43m
5,797.56267
false
[CIF] data_KSr2La _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32683231 _cell_length_b 6.76933104 _cell_length_c 6.95527211 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSr2La _chemical_formula_sum 'K1 Sr2 La1' _cell_volume 203.71825265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16341616 0.00000000 3.47763606 1 Sr Sr2 1 2.16341616 3.38466552 0.00000000 1 Sr Sr3 1 0.00000000 3.38466552 3.47763606 1 [/CIF]
KLaSr2
Pmmm
47
orthorhombic
mmm
2,879.344744
false
[CIF] data_CdTc2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30207717 _cell_length_b 5.30207717 _cell_length_c 2.81905330 _cell_angle_alpha 103.04828416 _cell_angle_beta 103.04828416 _cell_angle_gamma 115.04032750 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdTc2Ge _chemical_formula_sum 'Cd1 Tc2 Ge1' _cell_volume 65.14652795 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.84723010 0.00000000 0.00000000 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 0.83100771 2.23636441 1.27889871 1 Tc Tc3 1 0.83100771 -2.23636441 1.27889871 1 [/CIF]
CdGeTc2
C2/m
12
monoclinic
2/m
9,758.918133
false
[CIF] data_LaMnVPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54161538 _cell_length_b 4.54161538 _cell_length_c 4.54161538 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnVPd _chemical_formula_sum 'La1 Mn1 V1 Pd1' _cell_volume 66.23934920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.81711055 4.81711055 4.81711055 1 Mn Mn1 1 3.21140703 3.21140703 3.21140703 1 Pd Pd2 1 1.60570352 1.60570352 1.60570352 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaMnPdV
F-43m
216
cubic
-43m
8,804.278043
false
[CIF] data_Rb3YTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94438241 _cell_length_b 6.94438241 _cell_length_c 6.94438241 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3YTl _chemical_formula_sum 'Rb3 Y1 Tl1' _cell_volume 334.88900187 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 3.47219121 3.47219121 3.47219121 1 Rb Rb2 1 3.47219121 0.00000000 3.47219121 1 Rb Rb3 1 3.47219121 3.47219121 0.00000000 1 Rb Rb4 1 0.00000000 3.47219121 3.47219121 1 [/CIF]
Rb3TlY
Pm-3m
221
cubic
m-3m
2,725.637297
false
[CIF] data_BePCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68230216 _cell_length_b 5.68230216 _cell_length_c 5.68230216 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePCl4 _chemical_formula_sum 'Be1 P1 Cl4' _cell_volume 129.73524425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Cl Cl1 1 5.02825522 5.02825522 3.00773356 1 Cl Cl2 1 5.02825522 3.00773356 5.02825522 1 Cl Cl3 1 3.00773356 5.02825522 5.02825522 1 Cl Cl4 1 3.00773356 3.00773356 3.00773356 1 P P5 1 6.02699159 6.02699159 6.02699159 1 [/CIF]
BeCl4P
F-43m
216
cubic
-43m
2,326.912706
false
[CIF] data_FeCuOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98030953 _cell_length_b 2.98030953 _cell_length_c 5.85353133 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCuOs2 _chemical_formula_sum 'Fe1 Cu1 Os2' _cell_volume 51.99249877 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.92676567 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.49015477 1.49015477 1.44285034 1 Os Os3 1 1.49015477 1.49015477 4.41068099 1 [/CIF]
CuFeOs2
P4/mmm
123
tetragonal
4/mmm
15,964.266627
false
[CIF] data_CoSiRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75222627 _cell_length_b 3.57071268 _cell_length_c 5.29753115 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSiRh2 _chemical_formula_sum 'Co1 Si1 Rh2' _cell_volume 52.06100658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.37611313 1.78535634 4.01651284 1 Rh Rh1 1 0.00000000 0.00000000 5.10114219 1 Rh Rh2 1 1.37611313 1.78535634 1.49195397 1 Si Si3 1 0.00000000 0.00000000 2.63421887 1 [/CIF]
CoRh2Si
Pmm2
25
orthorhombic
mm2
9,340.102706
false
[CIF] data_VGeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21185005 _cell_length_b 7.07506524 _cell_length_c 2.99335403 _cell_angle_alpha 80.47926031 _cell_angle_beta 75.35714714 _cell_angle_gamma 24.16359256 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGeSb _chemical_formula_sum 'V1 Ge1 Sb1' _cell_volume 59.66361548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87162168 2.33606520 0.42289928 1 Sb Sb1 1 1.87162168 2.33606520 4.21048740 1 V V2 1 1.87162168 2.33606520 9.01265018 1 [/CIF]
GeSbV
Fmm2
42
orthorhombic
mm2
6,828.267816
false
[CIF] data_Mg2GaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74572502 _cell_length_b 4.74572502 _cell_length_c 4.74572502 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2GaAg _chemical_formula_sum 'Mg2 Ga1 Ag1' _cell_volume 75.57753310 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35573434 3.35573434 3.35573434 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 5.03360151 5.03360151 5.03360151 1 Mg Mg3 1 1.67786717 1.67786717 1.67786717 1 [/CIF]
AgGaMg2
Fm-3m
225
cubic
m-3m
4,969.941649
false
[CIF] data_BaCaP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07402053 _cell_length_b 5.07402053 _cell_length_c 4.08449866 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaP2 _chemical_formula_sum 'Ba1 Ca1 P2' _cell_volume 105.15821318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53701027 2.53701027 0.00000000 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 0.00000000 2.53701027 2.04224933 1 P P3 1 2.53701027 0.00000000 2.04224933 1 [/CIF]
BaCaP2
P4/mmm
123
tetragonal
4/mmm
3,779.583209
false
[CIF] data_Mg14MnBO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53367300 _cell_length_b 8.53367300 _cell_length_c 4.24920700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14MnBO16 _chemical_formula_sum 'Mg14 Mn1 B1 O16' _cell_volume 309.44244411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.26683650 0.00000000 1 Mg Mg1 1 4.26683650 0.00000000 0.00000000 1 Mg Mg2 1 6.41711729 4.26683650 2.12460350 1 Mg Mg3 1 2.11655571 4.26683650 2.12460350 1 Mg Mg4 1 6.42544615 0.00000000 2.12460350 1 Mg Mg5 1 2.10822685 0.00000000 2.12460350 1 Mg Mg6 1 4.26683650 6.41711729 2.12460350 1 Mg Mg7 1 0.00000000 6.42544615 2.12460350 1 Mg Mg8 1 4.26683650 2.11655571 2.12460350 1 Mg Mg9 1 0.00000000 2.10822685 2.12460350 1 Mg Mg10 1 6.42174254 6.42174254 0.00000000 1 Mg Mg11 1 2.11193046 6.42174254 0.00000000 1 Mg Mg12 1 6.42174254 2.11193046 0.00000000 1 Mg Mg13 1 2.11193046 2.11193046 0.00000000 1 Mn Mn14 1 4.26683650 4.26683650 0.00000000 1 B B15 1 0.00000000 0.00000000 0.00000000 1 O O16 1 4.26683650 6.46214095 0.00000000 1 O O17 1 0.00000000 6.42779291 0.00000000 1 O O18 1 4.26683650 2.07153205 0.00000000 1 O O19 1 0.00000000 2.10588009 0.00000000 1 O O20 1 6.39880403 6.39880403 2.12460350 1 O O21 1 2.13486897 6.39880403 2.12460350 1 O O22 1 6.39880403 2.13486897 2.12460350 1 O O23 1 2.13486897 2.13486897 2.12460350 1 O O24 1 4.26683650 4.26683650 2.12460350 1 O O25 1 0.00000000 4.26683650 2.12460350 1 O O26 1 4.26683650 0.00000000 2.12460350 1 O O27 1 0.00000000 0.00000000 2.12460350 1 O O28 1 6.46214095 4.26683650 0.00000000 1 O O29 1 2.07153205 4.26683650 0.00000000 1 O O30 1 6.42779291 0.00000000 0.00000000 1 O O31 1 2.10588009 0.00000000 0.00000000 1 [/CIF]
BMg14MnO16
P4/mmm
123
tetragonal
4/mmm
3,552.494387
false
[CIF] data_NbGaBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53081866 _cell_length_b 3.53081866 _cell_length_c 7.57625450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGaBr2 _chemical_formula_sum 'Nb1 Ga1 Br2' _cell_volume 94.45074355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.01219690 1 Br Br1 1 1.76540933 1.76540933 2.50117148 1 Ga Ga2 1 0.00000000 0.00000000 4.24831175 1 Nb Nb3 1 1.76540933 1.76540933 5.17895620 1 [/CIF]
Br2GaNb
P4mm
99
tetragonal
4mm
5,668.773435
false
[CIF] data_SrScNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40112650 _cell_length_b 5.40112650 _cell_length_c 6.51372272 _cell_angle_alpha 93.75362689 _cell_angle_beta 93.75362689 _cell_angle_gamma 33.61012518 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrScNb2 _chemical_formula_sum 'Sr1 Sc1 Nb2' _cell_volume 104.93685718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.59531183 -0.00000000 1.09339069 1 Nb Nb1 1 2.30016685 0.00000000 5.40508263 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 4.94773934 -0.00000000 3.24923666 1 [/CIF]
Nb2ScSr
C2/m
12
monoclinic
2/m
5,038.237684
false
[CIF] data_MnHg2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08976109 _cell_length_b 3.17165710 _cell_length_c 7.26824161 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.55206145 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnHg2W _chemical_formula_sum 'Mn1 Hg2 W1' _cell_volume 71.15567209 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.31111652 0.00000000 7.11897728 1 Hg Hg1 1 1.44020431 1.58582855 2.05339088 1 Mn Mn2 1 -0.17165315 0.00000000 3.89957352 1 W W3 1 1.32324124 1.58582855 5.08064019 1 [/CIF]
Hg2MnW
Pm
6
monoclinic
m
14,934.513349
false
[CIF] data_ZrSnB3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52328194 _cell_length_b 4.52328194 _cell_length_c 4.52328194 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSnB3 _chemical_formula_sum 'Zr1 Sn1 B3' _cell_volume 92.54670813 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26164097 0.00000000 1 B B1 1 0.00000000 0.00000000 2.26164097 1 B B2 1 2.26164097 0.00000000 0.00000000 1 Sn Sn3 1 2.26164097 2.26164097 2.26164097 1 Zr Zr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B3SnZr
Pm-3m
221
cubic
m-3m
4,348.721636
false
[CIF] data_B2WCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03957499 _cell_length_b 4.03957499 _cell_length_c 4.03957499 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2WCl _chemical_formula_sum 'B2 W1 Cl1' _cell_volume 46.61138707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42820543 1.42820544 1.42820544 1 B B1 1 4.28461631 4.28461631 4.28461631 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 2.85641087 2.85641087 2.85641087 1 [/CIF]
B2ClW
Fm-3m
225
cubic
m-3m
8,582.640302
false
[CIF] data_Mg2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01336437 _cell_length_b 5.01336437 _cell_length_c 3.43067924 _cell_angle_alpha 99.33667525 _cell_angle_beta 99.33667525 _cell_angle_gamma 65.77521572 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Pb _chemical_formula_sum 'Mg2 Pb1' _cell_volume 77.15178229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.44091325 0.00000000 0.99002706 1 Mg Mg1 1 2.31610514 -0.00000000 2.37601754 1 Pb Pb2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2Pb
C2/m
12
monoclinic
2/m
5,505.802796
false
[CIF] data_MgTaZnNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41133652 _cell_length_b 4.41133652 _cell_length_c 4.41133652 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaZnNi _chemical_formula_sum 'Mg1 Ta1 Zn1 Ni1' _cell_volume 60.70096162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.55964299 1.55964299 1.55964298 1 Ta Ta2 1 4.67892895 4.67892895 4.67892895 1 Zn Zn3 1 3.11928597 3.11928597 3.11928597 1 [/CIF]
MgNiTaZn
F-43m
216
cubic
-43m
9,009.069033
false
[CIF] data_ZrMnAlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49071554 _cell_length_b 4.49071554 _cell_length_c 4.49071554 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnAlZn _chemical_formula_sum 'Zr1 Mn1 Al1 Zn1' _cell_volume 64.03709759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 4.76312312 4.76312312 4.76312312 1 Zn Zn2 1 1.58770771 1.58770771 1.58770770 1 Zr Zr3 1 3.17541541 3.17541541 3.17541541 1 [/CIF]
AlMnZnZr
F-43m
216
cubic
-43m
6,185.129304
false
[CIF] data_Mg4Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39776664 _cell_length_b 8.00438693 _cell_length_c 11.74430049 _cell_angle_alpha 90.15379867 _cell_angle_beta 94.62899839 _cell_angle_gamma 111.86311403 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si3 _chemical_formula_sum 'Mg16 Si12' _cell_volume 556.00180461 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.53343250 6.82603193 10.74251702 1 Mg Mg1 1 1.92355551 3.53096871 10.29397415 1 Mg Mg2 1 -2.25490354 6.00271946 4.43192628 1 Mg Mg3 1 -0.09580171 4.14719096 3.05685718 1 Mg Mg4 1 -2.55203786 5.86818930 10.35509216 1 Mg Mg5 1 -1.43376568 2.22232442 10.32797876 1 Mg Mg6 1 1.00827382 6.57420268 4.53234044 1 Mg Mg7 1 1.65851467 1.55755798 4.75999062 1 Mg Mg8 1 -1.40732920 6.59883446 7.54697235 1 Mg Mg9 1 0.57553077 2.35646905 7.62708173 1 Mg Mg10 1 2.63566463 5.83277737 1.66520054 1 Mg Mg11 1 4.66424656 2.37197090 4.72972525 1 Mg Mg12 1 3.82779368 3.55147747 7.65883189 1 Mg Mg13 1 1.73906482 5.94177347 7.95200791 1 Mg Mg14 1 1.92695391 2.66904269 1.29765451 1 Mg Mg15 1 -0.48899798 7.03657119 1.78750699 1 Si Si16 1 3.61937131 0.91801669 6.73885457 1 Si Si17 1 -0.52627635 4.53774700 5.92283224 1 Si Si18 1 0.30631902 0.71757783 0.35753619 1 Si Si19 1 -1.70242848 4.19804654 0.75512134 1 Si Si20 1 -0.37386952 4.49828254 9.14251171 1 Si Si21 1 2.74625404 1.23832103 8.98932712 1 Si Si22 1 2.66792026 3.90890709 3.61980872 1 Si Si23 1 -0.18154260 0.90274928 2.85551049 1 Si Si24 1 1.80953900 4.09120725 5.84202480 1 Si Si25 1 -0.48471892 0.27848070 6.21944801 1 Si Si26 1 0.54728702 4.88794098 0.03316149 1 Si Si27 1 4.60418800 1.77204545 1.25125985 1 [/CIF]
Mg16Si12
P1
1
triclinic
1
2,167.970071
false
[CIF] data_NaSr2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44797317 _cell_length_b 7.44797317 _cell_length_c 7.44797317 _cell_angle_alpha 150.72923720 _cell_angle_beta 137.76383338 _cell_angle_gamma 52.21506134 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSr2Ni _chemical_formula_sum 'Na1 Sr2 Ni1' _cell_volume 135.09461861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.67457672 1 Ni Ni1 1 0.00000000 2.68343951 3.44253631 1 Sr Sr2 1 0.00000000 0.00000000 12.42424728 1 Sr Sr3 1 1.88185623 -0.00000000 3.21085795 1 [/CIF]
NaNiSr2
Imm2
44
orthorhombic
mm2
3,158.017045
false
[CIF] data_NaLiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34732472 _cell_length_b 4.34732472 _cell_length_c 4.34732472 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiPt _chemical_formula_sum 'Na1 Li1 Pt1' _cell_volume 58.09667058 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 4.61103419 4.61103419 4.61103419 1 Pt Pt2 1 1.53701140 1.53701140 1.53701140 1 [/CIF]
LiNaPt
F-43m
216
cubic
-43m
6,431.449707
false
[CIF] data_NaTaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32490678 _cell_length_b 5.32490678 _cell_length_c 5.32490678 _cell_angle_alpha 146.23993585 _cell_angle_beta 126.68158096 _cell_angle_gamma 64.61241545 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTaTc2 _chemical_formula_sum 'Na1 Ta1 Tc2' _cell_volume 66.50385924 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 0.00000000 -0.00000000 4.50063216 1 Tc Tc2 1 -0.00000000 2.38919445 2.11326958 1 Tc Tc3 1 1.54618637 0.00000000 2.38736258 1 [/CIF]
NaTaTc2
Immm
71
orthorhombic
mmm
10,031.322384
false
[CIF] data_InReO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95513200 _cell_length_b 3.95513200 _cell_length_c 3.95513200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InReO3 _chemical_formula_sum 'In1 Re1 O3' _cell_volume 61.87040332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 O O1 1 1.97756600 0.00000000 1.97756600 1 O O2 1 0.00000000 1.97756600 1.97756600 1 O O3 1 1.97756600 1.97756600 0.00000000 1 Re Re4 1 1.97756600 1.97756600 1.97756600 1 [/CIF]
InO3Re
Pm-3m
221
cubic
m-3m
9,367.429783
false
[CIF] data_ZnCr2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20755486 _cell_length_b 3.20755486 _cell_length_c 6.18300207 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCr2Sn _chemical_formula_sum 'Zn1 Cr2 Sn1' _cell_volume 63.61324907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.60377743 1.60377743 1.45182923 1 Cr Cr1 1 1.60377743 1.60377743 4.73117284 1 Sn Sn2 1 0.00000000 0.00000000 3.09150103 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2SnZn
P4/mmm
123
tetragonal
4/mmm
7,520.001799
false
[CIF] data_LiRe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29695827 _cell_length_b 4.29695827 _cell_length_c 4.29695827 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiRe2Ir _chemical_formula_sum 'Li1 Re2 Ir1' _cell_volume 56.10071674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.55761250 4.55761250 4.55761250 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.51920417 1.51920417 1.51920417 1 Re Re3 1 3.03840833 3.03840833 3.03840833 1 [/CIF]
IrLiRe2
F-43m
216
cubic
-43m
16,918.101775
false
[CIF] data_Na2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16621944 _cell_length_b 7.16621944 _cell_length_c 7.16621944 _cell_angle_alpha 150.10473406 _cell_angle_beta 150.10473406 _cell_angle_gamma 42.78768650 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Br _chemical_formula_sum 'Na2 Br1' _cell_volume 91.19028445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 -0.00000000 0.00000000 4.87835072 1 Na Na2 1 -0.00000000 0.00000000 8.46651172 1 [/CIF]
BrNa2
I4/mmm
139
tetragonal
4/mmm
2,292.29271
false
[CIF] data_LiLuZr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01448309 _cell_length_b 5.01448309 _cell_length_c 5.01448309 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLuZr2 _chemical_formula_sum 'Li1 Lu1 Zr2' _cell_volume 89.15865669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Lu Lu1 1 3.54577500 3.54577500 3.54577500 1 Zr Zr2 1 5.31866250 5.31866250 5.31866250 1 Zr Zr3 1 1.77288750 1.77288750 1.77288750 1 [/CIF]
LiLuZr2
Fm-3m
225
cubic
m-3m
6,785.959575
false
[CIF] data_Be2ZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88524664 _cell_length_b 2.88524664 _cell_length_c 5.44034058 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2ZnRu _chemical_formula_sum 'Be2 Zn1 Ru1' _cell_volume 45.28892127 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44262332 1.44262332 0.17613201 1 Be Be1 1 0.00000000 0.00000000 1.34827498 1 Ru Ru2 1 1.44262332 1.44262332 2.47430743 1 Zn Zn3 1 0.00000000 0.00000000 4.16179646 1 [/CIF]
Be2RuZn
P4mm
99
tetragonal
4mm
6,763.83715
false
[CIF] data_CoMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28627645 _cell_length_b 5.28627645 _cell_length_c 6.47510160 _cell_angle_alpha 104.30539728 _cell_angle_beta 104.30539728 _cell_angle_gamma 28.91252187 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoMo2 _chemical_formula_sum 'Co2 Mo4' _cell_volume 84.58612324 _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 -1.04541718 0.00000000 5.05218901 1 Co Co1 1 9.63097976 -0.00000000 1.20856329 1 Mo Mo2 1 5.57888861 -0.00000000 3.33964148 1 Mo Mo3 1 1.84430859 -0.00000000 5.47350658 1 Mo Mo4 1 6.74125399 -0.00000000 0.78724571 1 Mo Mo5 1 3.00667398 -0.00000000 2.92111082 1 [/CIF]
Co2Mo4
C2/m
12
monoclinic
2/m
9,849.169446
false
[CIF] data_Nb2VCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12491042 _cell_length_b 5.12491042 _cell_length_c 5.12491042 _cell_angle_alpha 144.33623791 _cell_angle_beta 129.28090038 _cell_angle_gamma 63.53984693 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2VCo _chemical_formula_sum 'Nb2 V1 Co1' _cell_volume 60.03578908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19498520 2.14525665 1 Nb Nb1 1 0.00000000 0.00000000 8.66571919 1 Nb Nb2 1 1.56937595 -0.00000000 2.21927293 1 V V3 1 0.00000000 0.00000000 4.39791514 1 [/CIF]
CoNb2V
Imm2
44
orthorhombic
mm2
8,178.473962
false
[CIF] data_K2CaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93976534 _cell_length_b 3.93976534 _cell_length_c 10.91874108 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.17629250 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CaCu _chemical_formula_sum 'K2 Ca1 Cu1' _cell_volume 169.35573729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 0.00000000 0.00000000 5.45937054 1 K K2 1 2.73242774 -0.00000000 7.43637141 1 K K3 1 2.73242774 -0.00000000 3.48236967 1 [/CIF]
CaCuK2
Cmmm
65
orthorhombic
mmm
1,782.757492
false
[CIF] data_BaHfGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72612317 _cell_length_b 6.72612317 _cell_length_c 6.72612317 _cell_angle_alpha 150.74714034 _cell_angle_beta 144.16930540 _cell_angle_gamma 46.90406673 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfGa _chemical_formula_sum 'Ba1 Hf1 Ga1' _cell_volume 86.73634754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.22570867 1 Ga Ga1 1 0.00000000 0.00000000 3.57019395 1 Hf Hf2 1 -0.00000000 0.00000000 8.88610614 1 [/CIF]
BaGaHf
Imm2
44
orthorhombic
mm2
7,381.037476
false
[CIF] data_TaNbRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19637355 _cell_length_b 4.49308449 _cell_length_c 4.57619832 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbRe2 _chemical_formula_sum 'Ta1 Nb1 Re2' _cell_volume 65.72142189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 0.00000000 2.24654225 2.28809916 1 Re Re2 1 1.59818678 2.24654225 0.00000000 1 Ta Ta3 1 1.59818678 0.00000000 2.28809916 1 [/CIF]
NbRe2Ta
Pmmm
47
orthorhombic
mmm
16,328.826466
false
[CIF] data_Zn(B2P)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.10496566 _cell_length_b 4.58596846 _cell_length_c 8.23517750 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn(B2P)2 _chemical_formula_sum 'Zn4 B16 P8' _cell_volume 343.86053935 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 8.76870307 3.43947635 5.17875824 1 B B1 1 4.88874542 1.14649212 1.06116949 1 B B2 1 0.33626259 1.14649212 3.05641926 1 B B3 1 4.21622024 3.43947635 7.17400801 1 B B4 1 2.40464274 3.43947635 1.82596499 1 B B5 1 2.14784009 1.14649212 5.94355374 1 B B6 1 6.70032292 1.14649212 6.40921251 1 B B7 1 6.95712557 3.43947635 2.29162376 1 B B8 1 3.51938080 0.21163391 6.35787828 1 B B9 1 1.03310203 4.37433455 2.24028953 1 B B10 1 5.58558486 2.50461814 1.87729922 1 B B11 1 8.07186363 2.08135032 5.99488797 1 B B12 1 5.58558486 4.37433455 1.87729922 1 B B13 1 8.07186363 0.21163391 5.99488797 1 B B14 1 3.51938080 2.08135032 6.35787828 1 B B15 1 1.03310203 2.50461814 2.24028953 1 P P16 1 5.36765041 3.43947635 3.56469392 1 P P17 1 8.28979808 1.14649212 7.68228267 1 P P18 1 3.73731525 1.14649212 4.67048358 1 P P19 1 0.81516758 3.43947635 0.55289483 1 P P20 1 4.05110478 3.43947635 0.88248030 1 P P21 1 0.50137805 1.14649212 5.00006905 1 P P22 1 5.05386088 1.14649212 7.35269720 1 P P23 1 8.60358761 3.43947635 3.23510845 1 Zn Zn24 1 1.65379045 3.43947635 6.51600563 1 Zn Zn25 1 2.89869238 1.14649212 2.39841688 1 Zn Zn26 1 7.45117521 1.14649212 1.71917187 1 Zn Zn27 1 6.20627328 3.43947635 5.83676062 1 [/CIF]
B16P8Zn4
Pnma
62
orthorhombic
mmm
3,294.832024
false
[CIF] data_SiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.88087401 _cell_length_b 6.85110564 _cell_length_c 5.48949195 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPd _chemical_formula_sum 'Si12 Pd12' _cell_volume 371.61067260 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 8.20673095 0.93392141 1.37237299 1 Pd Pd1 1 1.67414306 5.91718423 4.11711896 1 Pd Pd2 1 1.67414306 4.35947423 1.37237299 1 Pd Pd3 1 8.20673095 2.49163141 4.11711896 1 Pd Pd4 1 4.98496003 3.42798346 1.37237299 1 Pd Pd5 1 4.89591398 3.42312218 4.11711896 1 Pd Pd6 1 4.89591398 0.00243064 1.37237299 1 Pd Pd7 1 4.98496003 6.84867500 4.11711896 1 Pd Pd8 1 8.85270642 5.13832923 0.00000000 1 Pd Pd9 1 1.02816759 1.71277641 2.74474597 1 Pd Pd10 1 1.02816759 1.71277641 0.00000000 1 Pd Pd11 1 8.85270642 5.13832923 2.74474597 1 Si Si12 1 9.20622285 3.08972889 1.37237299 1 Si Si13 1 0.67465116 3.76137675 4.11711896 1 Si Si14 1 0.67465116 6.51528171 1.37237299 1 Si Si15 1 9.20622285 0.33582393 4.11711896 1 Si Si16 1 6.75220266 5.23909241 1.37237299 1 Si Si17 1 3.12867135 1.61201323 4.11711896 1 Si Si18 1 3.12867135 1.81353959 1.37237299 1 Si Si19 1 6.75220266 5.03756605 4.11711896 1 Si Si20 1 3.63508966 5.13832923 0.00000000 1 Si Si21 1 6.24578435 1.71277641 2.74474597 1 Si Si22 1 6.24578435 1.71277641 0.00000000 1 Si Si23 1 3.63508966 5.13832923 2.74474597 1 [/CIF]
Pd12Si12
Pbcm
57
orthorhombic
mmm
7,212.439918
false
[CIF] data_Ti3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42739989 _cell_length_b 5.42739989 _cell_length_c 5.42739989 _cell_angle_alpha 149.05756871 _cell_angle_beta 64.20527881 _cell_angle_gamma 125.27235610 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Pd _chemical_formula_sum 'Ti3 Pd1' _cell_volume 66.41973111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 4.59753656 2.46850039 1 Ti Ti1 1 0.00000000 7.08498599 0.74320894 1 Ti Ti2 1 -0.00000000 -0.00000000 2.69746896 1 Ti Ti3 1 0.00000000 2.11008713 0.74320894 1 [/CIF]
PdTi3
Imm2
44
orthorhombic
mm2
6,250.697361
false
[CIF] data_CaCuRuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50172709 _cell_length_b 4.50172709 _cell_length_c 4.50172709 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCuRuRh _chemical_formula_sum 'Ca1 Cu1 Ru1 Rh1' _cell_volume 64.50932392 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 3.18320175 3.18320175 3.18320175 1 Rh Rh2 1 1.59160087 1.59160087 1.59160088 1 Ru Ru3 1 4.77480262 4.77480262 4.77480262 1 [/CIF]
CaCuRhRu
F-43m
216
cubic
-43m
7,917.940471
false
[CIF] data_Ca2CdRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14290551 _cell_length_b 5.14290551 _cell_length_c 5.14290551 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2CdRe _chemical_formula_sum 'Ca2 Cd1 Re1' _cell_volume 96.18572819 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 5.45487504 5.45487504 5.45487504 1 Ca Ca1 1 1.81829168 1.81829168 1.81829168 1 Cd Cd2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 3.63658336 3.63658336 3.63658336 1 [/CIF]
Ca2CdRe
Fm-3m
225
cubic
m-3m
6,539.109661
false
[CIF] data_Cu2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80617204 _cell_length_b 5.80617204 _cell_length_c 3.76489060 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 142.21023080 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2Ir _chemical_formula_sum 'Cu4 Ir2' _cell_volume 77.77263046 _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 Cu Cu0 1 1.88022982 -0.98286235 2.82366795 1 Cu Cu1 1 1.88022982 0.98286235 0.94122265 1 Cu Cu2 1 1.88022982 2.72050498 2.82366795 1 Cu Cu3 1 1.88022982 -2.72050498 0.94122265 1 Ir Ir4 1 1.88022982 -4.58922412 2.82366795 1 Ir Ir5 1 1.88022982 4.58922412 0.94122265 1 [/CIF]
Cu4Ir2
Cmcm
63
orthorhombic
mmm
13,635.261291
false
[CIF] data_ScHg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92939617 _cell_length_b 3.92939617 _cell_length_c 5.68963293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScHg2As _chemical_formula_sum 'Sc1 Hg2 As1' _cell_volume 87.84881013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.84481647 1 Hg Hg1 1 1.96469809 1.96469809 4.26438494 1 Hg Hg2 1 1.96469809 1.96469809 1.42524799 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsHg2Sc
P4/mmm
123
tetragonal
4/mmm
9,849.152804
false
[CIF] data_Tl2VTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08199209 _cell_length_b 5.08199209 _cell_length_c 3.07786401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.80725155 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2VTc _chemical_formula_sum 'Tl2 V1 Tc1' _cell_volume 76.85108756 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10049809 0.00000000 0.00000000 1 Tl Tl1 1 1.55024905 -2.01330295 1.53893201 1 Tl Tl2 1 1.55024905 2.01330296 1.53893201 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
TcTl2V
Cmmm
65
orthorhombic
mmm
12,070.107239
false
[CIF] data_Hf2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87156681 _cell_length_b 5.67022731 _cell_length_c 3.11023488 _cell_angle_alpha 77.97278049 _cell_angle_beta 70.82344282 _cell_angle_gamma 31.20377669 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2B _chemical_formula_sum 'Hf2 B1' _cell_volume 50.10988131 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.91699530 2.44922234 6.82429535 1 Hf Hf2 1 1.91699530 2.44922234 3.84840005 1 [/CIF]
B2Hf4
Fmmm
69
orthorhombic
mmm
12,187.842155
false
[CIF] data_InGaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73396828 _cell_length_b 4.28002770 _cell_length_c 5.18977991 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.86847115 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InGaFe2 _chemical_formula_sum 'In1 Ga1 Fe2' _cell_volume 59.82945736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00517138 2.14001385 3.84903812 1 Fe Fe1 1 1.83933616 2.14001385 1.26395270 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 In In3 1 0.92225377 0.00000000 2.55649541 1 [/CIF]
Fe2GaIn
P2/m
10
monoclinic
2/m
8,221.755135
false
[CIF] data_BeNbSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68025349 _cell_length_b 3.68025349 _cell_length_c 5.64313945 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbSn2 _chemical_formula_sum 'Be1 Nb1 Sn2' _cell_volume 76.43218017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.89645012 1 Nb Nb1 1 1.84012674 1.84012674 4.22058097 1 Sn Sn2 1 0.00000000 0.00000000 5.45714581 1 Sn Sn3 1 1.84012674 1.84012674 1.53367173 1 [/CIF]
BeNbSn2
P4mm
99
tetragonal
4mm
7,372.438141
false
[CIF] data_NaHf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86718045 _cell_length_b 2.86718045 _cell_length_c 5.86802595 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHf _chemical_formula_sum 'Na1 Hf1' _cell_volume 48.23942012 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43359022 1.43359022 2.93401297 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfNa
P4/mmm
123
tetragonal
4/mmm
6,935.510983
false
[CIF] data_LiMn4Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82412347 _cell_length_b 4.82412347 _cell_length_c 4.82412347 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn4Tl _chemical_formula_sum 'Li1 Mn4 Tl1' _cell_volume 79.38532860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 4.26970871 4.26970871 2.55263213 1 Mn Mn2 1 4.26970871 2.55263213 4.26970871 1 Mn Mn3 1 2.55263213 4.26970871 4.26970871 1 Mn Mn4 1 2.55263213 2.55263213 2.55263213 1 Tl Tl5 1 5.11675563 5.11675563 5.11675563 1 [/CIF]
LiMn4Tl
F-43m
216
cubic
-43m
9,017.023024
false
[CIF] data_HfCdIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.37386990 _cell_length_b 10.37386990 _cell_length_c 10.37386990 _cell_angle_alpha 17.99480537 _cell_angle_beta 17.99480537 _cell_angle_gamma 17.99480537 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCdIn2 _chemical_formula_sum 'Hf1 Cd1 In2' _cell_volume 93.03149193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 -0.00000000 15.30498057 1 In In2 1 -0.00000000 -0.00000000 7.62864758 1 In In3 1 -0.00000000 0.00000000 22.98131357 1 [/CIF]
CdHfIn2
R-3m
166
trigonal
-3m
9,291.17663
false
[CIF] data_Mg2CoNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47994548 _cell_length_b 4.47994548 _cell_length_c 5.00481079 _cell_angle_alpha 98.29373438 _cell_angle_beta 98.29373438 _cell_angle_gamma 35.65388390 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CoNi _chemical_formula_sum 'Mg2 Co1 Ni1' _cell_volume 57.87274858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.54569579 -0.00000000 3.70625166 1 Mg Mg2 1 6.22564542 -0.00000000 1.24077201 1 Ni Ni3 1 3.88567060 -0.00000000 2.47351184 1 [/CIF]
CoMg2Ni
C2/m
12
monoclinic
2/m
4,769.815968
false
[CIF] data_Mn2TlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12475630 _cell_length_b 3.86191033 _cell_length_c 6.18060167 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2TlCd _chemical_formula_sum 'Mn2 Tl1 Cd1' _cell_volume 74.58458757 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 1.56237815 1.93095517 1.48833666 1 Mn Mn2 1 1.56237815 1.93095517 4.69226501 1 Tl Tl3 1 0.00000000 0.00000000 3.09030084 1 [/CIF]
CdMn2Tl
Pmmm
47
orthorhombic
mmm
9,499.428943
false
[CIF] data_FeMoPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55199591 _cell_length_b 4.55199591 _cell_length_c 4.55199591 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeMoPtPb _chemical_formula_sum 'Fe1 Mo1 Pt1 Pb1' _cell_volume 66.69458758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.21874718 3.21874718 3.21874718 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 4.82812076 4.82812076 4.82812076 1 Pb Pb3 1 1.60937359 1.60937359 1.60937359 1 [/CIF]
FeMoPbPt
F-43m
216
cubic
-43m
13,795.518712
false
[CIF] data_NaCaHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30375362 _cell_length_b 5.30375362 _cell_length_c 3.85641134 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaHg2 _chemical_formula_sum 'Na1 Ca1 Hg2' _cell_volume 108.48008921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.65187681 2.65187681 0.00000000 1 Hg Hg1 1 2.65187681 0.00000000 1.92820567 1 Hg Hg2 1 0.00000000 2.65187681 1.92820567 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaHg2Na
P4/mmm
123
tetragonal
4/mmm
7,106.38757
false
[CIF] data_FeAs2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88978282 _cell_length_b 2.88978282 _cell_length_c 7.64339516 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAs2Ru _chemical_formula_sum 'Fe1 As2 Ru1' _cell_volume 63.82880632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.13388208 1 As As1 1 1.44489141 1.44489141 2.49988153 1 Fe Fe2 1 0.00000000 0.00000000 3.86398558 1 Ru Ru3 1 1.44489141 1.44489141 5.61073878 1 [/CIF]
As2FeRu
P4mm
99
tetragonal
4mm
7,980.471584
false
[CIF] data_LiMgInOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56446528 _cell_length_b 4.56446528 _cell_length_c 4.56446528 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgInOs _chemical_formula_sum 'Li1 Mg1 In1 Os1' _cell_volume 67.24418358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22756435 3.22756435 3.22756435 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 4.84134653 4.84134653 4.84134653 1 Os Os3 1 1.61378217 1.61378217 1.61378218 1 [/CIF]
InLiMgOs
F-43m
216
cubic
-43m
8,304.500034
false
[CIF] data_MnRh2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52283045 _cell_length_b 4.52283045 _cell_length_c 4.52283045 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnRh2Pb _chemical_formula_sum 'Mn1 Rh2 Pb1' _cell_volume 65.42081103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.19812408 3.19812408 3.19812408 1 Rh Rh2 1 1.59906204 1.59906204 1.59906204 1 Rh Rh3 1 4.79718612 4.79718612 4.79718612 1 [/CIF]
MnPbRh2
Fm-3m
225
cubic
m-3m
11,877.683235
false
[CIF] data_MgIn2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66475374 _cell_length_b 4.66475374 _cell_length_c 4.66475374 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgIn2Co _chemical_formula_sum 'Mg1 In2 Co1' _cell_volume 71.77466366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 3.29847900 3.29847900 3.29847900 1 In In1 1 1.64923950 1.64923950 1.64923950 1 In In2 1 4.94771850 4.94771850 4.94771850 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoIn2Mg
Fm-3m
225
cubic
m-3m
7,238.484965
false
[CIF] data_CdSn3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17134704 _cell_length_b 5.17134704 _cell_length_c 5.17134704 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSn3Rh _chemical_formula_sum 'Cd1 Sn3 Rh1' _cell_volume 138.29645584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 0.00000000 2.58567352 0.00000000 1 Sn Sn2 1 0.00000000 0.00000000 2.58567352 1 Sn Sn3 1 2.58567352 0.00000000 0.00000000 1 Cd Cd4 1 2.58567352 2.58567352 2.58567352 1 [/CIF]
CdRhSn3
Pm-3m
221
cubic
m-3m
6,861.413996
false
[CIF] data_BeVNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52155633 _cell_length_b 3.52155633 _cell_length_c 3.49543715 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeVNi2 _chemical_formula_sum 'Be1 V1 Ni2' _cell_volume 43.34817091 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 0.00000000 1.76077817 1.74771858 1 Ni Ni2 1 1.76077817 0.00000000 1.74771858 1 V V3 1 1.76077817 1.76077817 0.00000000 1 [/CIF]
BeNi2V
P4/mmm
123
tetragonal
4/mmm
6,793.384641
false
[CIF] data_Ga2MoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80434107 _cell_length_b 2.80434107 _cell_length_c 7.74913335 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2MoPd _chemical_formula_sum 'Ga2 Mo1 Pd1' _cell_volume 60.94173287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.40217053 1.40217053 5.74048507 1 Ga Ga1 1 1.40217053 1.40217053 2.00864828 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 3.87456667 1 [/CIF]
Ga2MoPd
P4/mmm
123
tetragonal
4/mmm
9,314.067722
false
[CIF] data_SrHf2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82926602 _cell_length_b 4.52648607 _cell_length_c 6.97613489 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.22795620 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHf2Te _chemical_formula_sum 'Sr1 Hf2 Te1' _cell_volume 116.67255374 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.70542744 0.00000000 0.35727821 1 Hf Hf1 1 2.62540832 2.26324303 0.79375629 1 Sr Sr2 1 0.78966445 0.00000000 3.74328008 1 Te Te3 1 -1.12512861 2.26324303 5.20247333 1 [/CIF]
Hf2SrTe
Pm
6
monoclinic
m
8,143.82152
false
[CIF] data_Sr2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71877678 _cell_length_b 5.71877678 _cell_length_c 3.85116680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ga _chemical_formula_sum 'Sr2 Ga1' _cell_volume 109.07601198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 0.00000000 3.30173731 2.59324940 1 Sr Sr2 1 2.85938839 1.65086866 1.25791740 1 [/CIF]
GaSr2
P-3m1
164
trigonal
-3m
3,729.240041
false
[CIF] data_SrVP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20973248 _cell_length_b 3.20973248 _cell_length_c 6.81988177 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrVP2 _chemical_formula_sum 'Sr1 V1 P2' _cell_volume 70.26103123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60486624 1.60486624 1.24286617 1 P P1 1 1.60486624 1.60486624 5.57701560 1 Sr Sr2 1 0.00000000 0.00000000 3.40994089 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P2SrV
P4/mmm
123
tetragonal
4/mmm
4,738.80132
false
[CIF] data_Pa2VSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86872452 _cell_length_b 4.86872452 _cell_length_c 4.86872452 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2VSi _chemical_formula_sum 'Pa2 V1 Si1' _cell_volume 81.60760048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pa Pa0 1 5.16406218 5.16406218 5.16406218 1 Pa Pa1 1 1.72135406 1.72135406 1.72135406 1 Si Si2 1 -0.00000000 0.00000000 0.00000000 1 V V3 1 3.44270812 3.44270812 3.44270812 1 [/CIF]
Pa2SiV
Fm-3m
225
cubic
m-3m
11,010.19543
false
[CIF] data_LaFePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53900773 _cell_length_b 4.53900773 _cell_length_c 4.86093854 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFePb2 _chemical_formula_sum 'La1 Fe1 Pb2' _cell_volume 100.14792946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.26950386 2.26950386 0.00000000 1 Pb Pb2 1 2.26950386 0.00000000 2.43046927 1 Pb Pb3 1 0.00000000 2.26950386 2.43046927 1 [/CIF]
FeLaPb2
P4/mmm
123
tetragonal
4/mmm
10,100.240298
false
[CIF] data_LaTl2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86112089 _cell_length_b 4.86112089 _cell_length_c 4.88335133 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTl2In _chemical_formula_sum 'La1 Tl2 In1' _cell_volume 115.39601581 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 2.43056045 2.43056045 0.00000000 1 Tl Tl2 1 2.43056045 0.00000000 2.44167567 1 Tl Tl3 1 0.00000000 2.43056045 2.44167567 1 [/CIF]
InLaTl2
P4/mmm
123
tetragonal
4/mmm
9,533.334469
false
[CIF] data_K2AlRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49735469 _cell_length_b 3.49735469 _cell_length_c 10.18967288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AlRh _chemical_formula_sum 'K2 Al1 Rh1' _cell_volume 124.63488018 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.53701579 1 K K1 1 1.74867735 1.74867735 9.40212325 1 K K2 1 0.00000000 0.00000000 3.34246551 1 Rh Rh3 1 1.74867735 1.74867735 6.19257764 1 [/CIF]
AlK2Rh
P4mm
99
tetragonal
4mm
2,772.345996
false
[CIF] data_CaScTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31188162 _cell_length_b 6.31188162 _cell_length_c 6.31188162 _cell_angle_alpha 148.29701663 _cell_angle_beta 148.29701663 _cell_angle_gamma 45.44710004 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaScTc _chemical_formula_sum 'Ca1 Sc1 Tc1' _cell_volume 69.22010502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.22554174 1 Sc Sc1 1 -0.00000000 0.00000000 3.37705456 1 Tc Tc2 1 0.00000000 0.00000000 8.04130280 1 [/CIF]
CaScTc
I4mm
107
tetragonal
4mm
4,412.587092
false
[CIF] data_ZnAsCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90169877 _cell_length_b 5.90169877 _cell_length_c 5.76744490 _cell_angle_alpha 102.49982466 _cell_angle_beta 102.49982466 _cell_angle_gamma 32.80904869 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAsCl2 _chemical_formula_sum 'Zn1 As1 Cl2' _cell_volume 106.03865475 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.73594463 -0.00000000 3.96154165 1 Cl Cl1 1 -0.89958422 -0.00000000 5.50161588 1 Cl Cl2 1 9.00189866 -0.00000000 1.95670341 1 Zn Zn3 1 4.89294656 -0.00000000 2.62696862 1 [/CIF]
AsCl2Zn
Cm
8
monoclinic
m
3,307.458698
false
[CIF] data_Cr2MoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87054484 _cell_length_b 2.87054484 _cell_length_c 6.94911308 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2MoAu _chemical_formula_sum 'Cr2 Mo1 Au1' _cell_volume 57.26088412 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43527242 1.43527242 5.33960377 1 Cr Cr1 1 0.00000000 0.00000000 0.31987699 1 Cr Cr2 1 1.43527242 1.43527242 1.52978880 1 Mo Mo3 1 0.00000000 0.00000000 3.23440013 1 [/CIF]
AuCr2Mo
P4mm
99
tetragonal
4mm
11,510.460104
false
[CIF] data_Mn2NiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58300688 _cell_length_b 3.58300688 _cell_length_c 3.66088527 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2NiIr _chemical_formula_sum 'Mn2 Ni1 Ir1' _cell_volume 46.99821923 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79150344 1.79150344 0.00000000 1 Mn Mn1 1 1.79150344 0.00000000 1.83044264 1 Mn Mn2 1 0.00000000 1.79150344 1.83044264 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrMn2Ni
P4/mmm
123
tetragonal
4/mmm
12,747.295118
false
[CIF] data_SrTcNiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82956859 _cell_length_b 4.82956859 _cell_length_c 4.82956859 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTcNiAu _chemical_formula_sum 'Sr1 Tc1 Ni1 Au1' _cell_volume 79.65444521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41502070 3.41502070 3.41502070 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 5.12253105 5.12253105 5.12253105 1 Tc Tc3 1 1.70751035 1.70751035 1.70751035 1 [/CIF]
AuNiSrTc
F-43m
216
cubic
-43m
9,218.159846
false
[CIF] data_ScCu2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24652003 _cell_length_b 5.24652003 _cell_length_c 5.24652003 _cell_angle_alpha 140.28726445 _cell_angle_beta 128.85341829 _cell_angle_gamma 66.63496908 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCu2Sn _chemical_formula_sum 'Sc1 Cu2 Sn1' _cell_volume 70.77648553 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.71149837 1 Cu Cu1 1 0.00000000 2.26474065 2.38267138 1 Sc Sc2 1 -0.00000000 -0.00000000 4.41607338 1 Sn Sn3 1 1.78205082 -0.00000000 2.02656028 1 [/CIF]
Cu2ScSn
Imm2
44
orthorhombic
mm2
6,821.684747
false
[CIF] data_CrSnHgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77541060 _cell_length_b 4.77541060 _cell_length_c 4.77541060 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSnHgPd _chemical_formula_sum 'Cr1 Sn1 Hg1 Pd1' _cell_volume 77.00468704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.06508783 5.06508783 5.06508783 1 Pd Pd2 1 1.68836261 1.68836261 1.68836261 1 Sn Sn3 1 3.37672522 3.37672522 3.37672522 1 [/CIF]
CrHgPdSn
F-43m
216
cubic
-43m
10,301.531989
false
[CIF] data_HfTiNbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63227778 _cell_length_b 4.63227778 _cell_length_c 4.63227778 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTiNbPd _chemical_formula_sum 'Hf1 Ti1 Nb1 Pd1' _cell_volume 70.28599307 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63775751 1.63775751 1.63775751 1 Nb Nb1 1 3.27551503 3.27551503 3.27551503 1 Pd Pd2 1 4.91327254 4.91327254 4.91327255 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfNbPdTi
F-43m
216
cubic
-43m
10,056.966567
false
[CIF] data_ZrBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04800457 _cell_length_b 6.40026135 _cell_length_c 6.44198548 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBi3 _chemical_formula_sum 'Zr2 Bi6' _cell_volume 249.36159129 _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 3.02400228 0.00000000 2.33079235 1 Bi Bi1 1 0.00000000 3.20013068 4.11119313 1 Bi Bi2 1 0.00000000 4.79472891 1.03058826 1 Bi Bi3 1 0.00000000 1.60553244 1.03058826 1 Bi Bi4 1 3.02400228 1.59459823 5.41139722 1 Bi Bi5 1 3.02400228 4.80566312 5.41139722 1 Zr Zr6 1 0.00000000 0.00000000 4.19384760 1 Zr Zr7 1 3.02400228 3.20013068 2.24813788 1 [/CIF]
Bi6Zr2
Pmmn
59
orthorhombic
mmm
9,564.755861
false
[CIF] data_Hf2MnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83698532 _cell_length_b 3.83698532 _cell_length_c 7.19519092 _cell_angle_alpha 105.79610552 _cell_angle_beta 105.79610552 _cell_angle_gamma 49.70035934 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2MnCl _chemical_formula_sum 'Hf2 Mn1 Cl1' _cell_volume 77.06950892 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.54213125 0.00000000 4.77101948 1 Hf Hf2 1 4.26281158 0.00000000 2.09277537 1 Mn Mn3 1 2.40247141 0.00000000 3.43189743 1 [/CIF]
ClHf2Mn
C2/m
12
monoclinic
2/m
9,639.053212
false
[CIF] data_BaMn2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60019293 _cell_length_b 6.60019293 _cell_length_c 4.01106523 _cell_angle_alpha 107.24572358 _cell_angle_beta 107.24572358 _cell_angle_gamma 120.58396721 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMn2Te _chemical_formula_sum 'Ba1 Mn2 Te1' _cell_volume 120.53877160 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27092490 -0.00000000 0.00000000 1 Mn Mn1 1 0.43569529 -2.86633899 1.60708426 1 Mn Mn2 1 0.43569529 2.86633900 1.60708426 1 Te Te3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
BaMn2Te
C2/m
12
monoclinic
2/m
5,163.277881
false
[CIF] data_K2SrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.25201347 _cell_length_b 8.25201347 _cell_length_c 8.25201347 _cell_angle_alpha 151.34017226 _cell_angle_beta 137.85486493 _cell_angle_gamma 51.76195110 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SrPt _chemical_formula_sum 'K2 Sr1 Pt1' _cell_volume 179.96250050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04241375 -0.00000000 0.11573626 1 K K1 1 -0.00000000 -0.00000000 9.82515644 1 Pt Pt2 1 2.04241375 -0.00000000 7.18887944 1 Sr Sr3 1 0.00000000 -0.00000000 5.14330585 1 [/CIF]
K2PtSr
Imm2
44
orthorhombic
mm2
3,330.080121
false