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_NaTa4Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45752318 _cell_length_b 5.45752318 _cell_length_c 5.45752318 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTa4Co _chemical_formula_sum 'Na1 Ta4 Co1' _cell_volume 114.94015261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.78857748 5.78857748 5.78857748 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 2.89538365 4.82271965 4.82271965 1 Ta Ta3 1 4.82271965 4.82271965 2.89538365 1 Ta Ta4 1 4.82271965 2.89538365 4.82271965 1 Ta Ta5 1 2.89538365 2.89538365 2.89538365 1 [/CIF]
CoNaTa4
F-43m
216
cubic
-43m
11,640.147914
false
[CIF] data_TaCdReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85005763 _cell_length_b 4.85005763 _cell_length_c 4.85005763 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCdReBi _chemical_formula_sum 'Ta1 Cd1 Re1 Bi1' _cell_volume 80.67253416 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.14426296 5.14426296 5.14426296 1 Cd Cd1 1 0.00000000 -0.00000000 0.00000000 1 Re Re2 1 1.71475432 1.71475432 1.71475432 1 Ta Ta3 1 3.42950864 3.42950864 3.42950864 1 [/CIF]
BiCdReTa
F-43m
216
cubic
-43m
14,172.828572
false
[CIF] data_NbFeAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55886776 _cell_length_b 4.55886776 _cell_length_c 4.55886776 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFeAg2 _chemical_formula_sum 'Nb1 Fe1 Ag2' _cell_volume 66.99709735 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.83540946 4.83540946 4.83540946 1 Ag Ag1 1 1.61180315 1.61180315 1.61180316 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 3.22360631 3.22360631 3.22360631 1 [/CIF]
Ag2FeNb
Fm-3m
225
cubic
m-3m
9,033.916721
false
[CIF] data_CrSnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13844619 _cell_length_b 7.88343244 _cell_length_c 3.35493977 _cell_angle_alpha 82.20995877 _cell_angle_beta 73.68384851 _cell_angle_gamma 24.10619272 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSnBr _chemical_formula_sum 'Cr1 Sn1 Br1' _cell_volume 80.26030788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.89338604 2.76960469 14.62982341 1 Cr Cr1 1 1.89338604 2.76960469 5.29544214 1 Sn Sn2 1 1.89338604 2.76960469 10.68547653 1 [/CIF]
BrCrSn
Fmm2
42
orthorhombic
mm2
5,184.977139
false
[CIF] data_YBeGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56201054 _cell_length_b 8.56201054 _cell_length_c 8.56201054 _cell_angle_alpha 21.53601538 _cell_angle_beta 21.53601538 _cell_angle_gamma 21.53601538 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeGe2 _chemical_formula_sum 'Y1 Be1 Ge2' _cell_volume 74.10968164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 -0.00000000 0.00000000 18.43493005 1 Ge Ge2 1 -0.00000000 -0.00000000 6.64624026 1 Y Y3 1 0.00000000 -0.00000000 12.54058516 1 [/CIF]
BeGe2Y
R-3m
166
trigonal
-3m
5,449.218293
false
[CIF] data_KTa2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44610292 _cell_length_b 6.44610292 _cell_length_c 6.44610292 _cell_angle_alpha 156.47515085 _cell_angle_beta 131.42412642 _cell_angle_gamma 54.65385648 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTa2Be _chemical_formula_sum 'K1 Ta2 Be1' _cell_volume 79.81100692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 0.00000000 0.00000000 5.72672799 1 Ta Ta2 1 1.31406420 -0.00000000 2.36395632 1 Ta Ta3 1 0.00000000 2.65142691 3.36277167 1 [/CIF]
BeKTa2
Immm
71
orthorhombic
mmm
8,530.627809
false
[CIF] data_FeSnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84006811 _cell_length_b 4.84006811 _cell_length_c 4.84006811 _cell_angle_alpha 143.86348496 _cell_angle_beta 134.22282183 _cell_angle_gamma 59.66434431 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSnRh _chemical_formula_sum 'Fe1 Sn1 Rh1' _cell_volume 47.46042793 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01867268 1 Rh Rh1 1 0.00000000 0.00000000 5.58093410 1 Sn Sn2 1 -0.00000000 0.00000000 2.79777840 1 [/CIF]
FeRhSn
Imm2
44
orthorhombic
mm2
9,707.750642
false
[CIF] data_PuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74652714 _cell_length_b 2.74652714 _cell_length_c 4.33188415 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuIr _chemical_formula_sum 'Pu1 Ir1' _cell_volume 32.67718397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pu Pu1 1 1.37326357 1.37326357 2.16594207 1 [/CIF]
IrPu
P4/mmm
123
tetragonal
4/mmm
22,167.007131
false
[CIF] data_MnCrCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.44957155 _cell_length_b 3.49277566 _cell_length_c 4.99997487 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCrCo2 _chemical_formula_sum 'Mn1 Cr1 Co2' _cell_volume 42.77880443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.96040017 1 Co Co1 1 1.22478578 1.74638783 1.24700568 1 Cr Cr2 1 0.00000000 0.00000000 2.45248947 1 Mn Mn3 1 1.22478578 1.74638783 3.84004190 1 [/CIF]
Co2CrMn
Pmm2
25
orthorhombic
mm2
8,726.051968
false
[CIF] data_ZrPdSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72512466 _cell_length_b 4.72512466 _cell_length_c 4.72512466 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPdSe2 _chemical_formula_sum 'Zr1 Pd1 Se2' _cell_volume 74.59759288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.34116769 3.34116769 3.34116769 1 Se Se1 1 1.67058384 1.67058384 1.67058384 1 Se Se2 1 5.01175153 5.01175153 5.01175153 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdSe2Zr
Fm-3m
225
cubic
m-3m
7,914.838706
false
[CIF] data_BeAlSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26122969 _cell_length_b 4.26122969 _cell_length_c 5.03672100 _cell_angle_alpha 101.19633043 _cell_angle_beta 101.19633043 _cell_angle_gamma 37.31705478 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAlSi2 _chemical_formula_sum 'Be1 Al1 Si2' _cell_volume 54.26678971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.52114832 0.00000000 2.46490561 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.28697003 -0.00000000 3.87245318 1 Si Si3 1 5.75532661 -0.00000000 1.05735804 1 [/CIF]
AlBeSi2
C2/m
12
monoclinic
2/m
2,820.198503
false
[CIF] data_TcNiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67092346 _cell_length_b 7.67092346 _cell_length_c 7.67092346 _cell_angle_alpha 154.06265353 _cell_angle_beta 152.54516378 _cell_angle_gamma 38.12669906 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcNiBr2 _chemical_formula_sum 'Tc1 Ni1 Br2' _cell_volume 90.88012132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.12874199 1 Br Br1 1 1.72149544 -0.00000000 3.69880855 1 Ni Ni2 1 -0.00000000 0.00000000 8.12317726 1 Tc Tc3 1 -0.00000000 1.82033346 2.54974202 1 [/CIF]
Br2NiTc
Imm2
44
orthorhombic
mm2
5,799.593049
false
[CIF] data_LiZn3Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48364673 _cell_length_b 4.48364673 _cell_length_c 4.48364673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZn3Ge _chemical_formula_sum 'Li1 Zn3 Ge1' _cell_volume 90.13514477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.24182337 2.24182337 2.24182337 1 Zn Zn1 1 0.00000000 2.24182337 0.00000000 1 Zn Zn2 1 0.00000000 0.00000000 2.24182337 1 Zn Zn3 1 2.24182337 0.00000000 0.00000000 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeLiZn3
Pm-3m
221
cubic
m-3m
5,079.544645
false
[CIF] data_TlPbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83018718 _cell_length_b 4.83018718 _cell_length_c 4.83018718 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlPbW _chemical_formula_sum 'Tl1 Pb1 W1' _cell_volume 79.68505654 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 1.70772906 1.70772906 1.70772906 1 Tl Tl1 1 5.12318717 5.12318717 5.12318717 1 W W2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbTlW
F-43m
216
cubic
-43m
12,407.892944
false
[CIF] data_Mn2SiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54720474 _cell_length_b 4.54720474 _cell_length_c 4.54720474 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2SiPb _chemical_formula_sum 'Mn2 Si1 Pb1' _cell_volume 66.48421269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 1.60767966 1.60767966 1.60767966 1 Mn Mn1 1 3.21535931 3.21535931 3.21535931 1 Pb Pb2 1 4.82303897 4.82303897 4.82303897 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2PbSi
F-43m
216
cubic
-43m
8,620.908352
false
[CIF] data_Zn2FeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95995319 _cell_length_b 4.27289213 _cell_length_c 4.30332230 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2FeIr _chemical_formula_sum 'Zn2 Fe1 Ir1' _cell_volume 54.42652996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.47997660 0.00000000 2.15166115 1 Zn Zn2 1 1.47997660 2.13644606 0.00000000 1 Zn Zn3 1 0.00000000 2.13644606 2.15166115 1 [/CIF]
FeIrZn2
Pmmm
47
orthorhombic
mmm
11,557.759253
false
[CIF] data_CrRhPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55499723 _cell_length_b 8.55499723 _cell_length_c 8.55499723 _cell_angle_alpha 22.13416251 _cell_angle_beta 22.13416251 _cell_angle_gamma 22.13416251 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrRhPb2 _chemical_formula_sum 'Cr1 Rh1 Pb2' _cell_volume 77.93342497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 0.00000000 0.00000000 6.25110330 1 Pb Pb2 1 -0.00000000 0.00000000 18.77548045 1 Rh Rh3 1 0.00000000 -0.00000000 12.51329188 1 [/CIF]
CrPb2Rh
R-3m
166
trigonal
-3m
12,130.193802
false
[CIF] data_HfBiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79657232 _cell_length_b 3.79657232 _cell_length_c 6.85409232 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBiAs2 _chemical_formula_sum 'Hf1 Bi1 As2' _cell_volume 98.79462174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89828616 1.89828616 6.19750516 1 As As1 1 0.00000000 0.00000000 1.81129856 1 Bi Bi2 1 1.89828616 1.89828616 3.10647533 1 Hf Hf3 1 0.00000000 0.00000000 6.01995175 1 [/CIF]
As2BiHf
P4mm
99
tetragonal
4mm
9,031.213077
false
[CIF] data_YTh2Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38495048 _cell_length_b 5.38495048 _cell_length_c 5.38495048 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTh2Ta _chemical_formula_sum 'Y1 Th2 Ta1' _cell_volume 110.41552545 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 3.80773500 3.80773500 3.80773500 1 Th Th1 1 1.90386750 1.90386750 1.90386750 1 Th Th2 1 5.71160250 5.71160250 5.71160250 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
TaTh2Y
Fm-3m
225
cubic
m-3m
11,037.570876
false
[CIF] data_SiIrOs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11378203 _cell_length_b 5.11378203 _cell_length_c 5.11378203 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiIrOs4 _chemical_formula_sum 'Si1 Ir1 Os4' _cell_volume 94.56090934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.42398493 5.42398493 5.42398493 1 Os Os1 1 4.51421234 2.71776756 4.51421234 1 Os Os2 1 2.71776756 4.51421234 4.51421234 1 Os Os3 1 2.71776756 2.71776756 2.71776756 1 Os Os4 1 4.51421234 4.51421234 2.71776756 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrOs4Si
F-43m
216
cubic
-43m
17,230.780727
false
[CIF] data_Be2VTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15945448 _cell_length_b 3.15945448 _cell_length_c 5.66845567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.08171442 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2VTe _chemical_formula_sum 'Be2 V1 Te1' _cell_volume 56.54604658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19312028 0.00000000 1.03907276 1 Be Be1 1 2.19312028 0.00000000 4.62938291 1 Te Te2 1 0.00000000 0.00000000 2.83422783 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2TeV
Cmmm
65
orthorhombic
mmm
5,772.380494
false
[CIF] data_VPCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55760555 _cell_length_b 4.55760555 _cell_length_c 4.55760555 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPCl2 _chemical_formula_sum 'V1 P1 Cl2' _cell_volume 66.94146429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22271379 3.22271379 3.22271379 1 Cl Cl1 1 1.61135690 1.61135690 1.61135690 1 P P2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 4.83407069 4.83407069 4.83407069 1 [/CIF]
Cl2PV
F-43m
216
cubic
-43m
3,790.859349
false
[CIF] data_KLaP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39395392 _cell_length_b 4.39395392 _cell_length_c 6.16413240 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaP2 _chemical_formula_sum 'K1 La1 P2' _cell_volume 119.00986282 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.34534697 1 La La1 1 2.19697696 2.19697696 5.37866277 1 P P2 1 0.00000000 0.00000000 5.41154195 1 P P3 1 2.19697696 2.19697696 2.27477931 1 [/CIF]
KLaP2
P4mm
99
tetragonal
4mm
3,348.029216
false
[CIF] data_BeGaCoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45873738 _cell_length_b 4.45873738 _cell_length_c 4.45873738 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGaCoPb _chemical_formula_sum 'Be1 Ga1 Co1 Pb1' _cell_volume 62.67880138 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 3.15280344 3.15280344 3.15280344 1 Ga Ga2 1 1.57640172 1.57640172 1.57640172 1 Pb Pb3 1 4.72920516 4.72920516 4.72920516 1 [/CIF]
BeCoGaPb
F-43m
216
cubic
-43m
9,136.540588
false
[CIF] data_SrTe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88833666 _cell_length_b 5.88833666 _cell_length_c 5.88833666 _cell_angle_alpha 127.64658919 _cell_angle_beta 108.62171025 _cell_angle_gamma 94.00780643 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTe2Cl _chemical_formula_sum 'Sr1 Te2 Cl1' _cell_volume 143.32565539 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.71116403 1 Sr Sr1 1 2.59758684 -0.00000000 2.60891053 1 Te Te2 1 -0.00000000 -0.00000000 7.50011788 1 Te Te3 1 -0.00000000 3.43518109 2.24197788 1 [/CIF]
ClSrTe2
Imm2
44
orthorhombic
mm2
4,382.586583
false
[CIF] data_CuGeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52138413 _cell_length_b 6.52138413 _cell_length_c 3.94295439 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuGeP _chemical_formula_sum 'Cu3 Ge3 P3' _cell_volume 145.22184481 _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 Cu Cu0 1 1.58281890 0.00000000 1.97147720 1 Cu Cu1 1 -0.79140945 1.37076138 1.97147720 1 Cu Cu2 1 2.46928261 4.27692294 1.97147720 1 Ge Ge3 1 -0.00000000 3.76512288 1.97147720 1 Ge Ge4 1 3.26069206 1.88256144 1.97147720 1 Ge Ge5 1 0.00000000 0.00000000 0.00000000 1 P P6 1 4.14329534 0.00000000 0.00000000 1 P P7 1 -2.07164767 3.58819902 0.00000000 1 P P8 1 1.18904439 2.05948530 0.00000000 1 [/CIF]
Cu3Ge3P3
P-62m
189
hexagonal
-6m2
5,734.461856
false
[CIF] data_TiCu2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62285315 _cell_length_b 2.62285315 _cell_length_c 7.99490218 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCu2Tc _chemical_formula_sum 'Ti1 Cu2 Tc1' _cell_volume 54.99979944 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.31142658 1.31142658 0.11006326 1 Cu Cu1 1 0.00000000 0.00000000 1.90789498 1 Tc Tc2 1 1.31142658 1.31142658 3.87783936 1 Ti Ti3 1 0.00000000 0.00000000 6.09655559 1 [/CIF]
Cu2TcTi
P4mm
99
tetragonal
4mm
8,268.464035
false
[CIF] data_Zn2GeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15722884 _cell_length_b 3.96810975 _cell_length_c 7.10111761 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2GeTe _chemical_formula_sum 'Zn2 Ge1 Te1' _cell_volume 88.96443853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 2.83362599 1 Te Te1 1 1.57861442 1.98405487 5.83307849 1 Zn Zn2 1 0.00000000 0.00000000 0.23081821 1 Zn Zn3 1 1.57861442 1.98405487 1.75415372 1 [/CIF]
GeTeZn2
Pmm2
25
orthorhombic
mm2
6,178.181306
false
[CIF] data_CuReRuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29676964 _cell_length_b 4.29676964 _cell_length_c 4.29676964 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuReRuRh _chemical_formula_sum 'Cu1 Re1 Ru1 Rh1' _cell_volume 56.09332894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 3.03827495 3.03827495 3.03827495 1 Rh Rh2 1 1.51913747 1.51913748 1.51913748 1 Ru Ru3 1 4.55741242 4.55741242 4.55741242 1 [/CIF]
CuReRhRu
F-43m
216
cubic
-43m
13,431.791519
false
[CIF] data_Sn2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06268939 _cell_length_b 6.06268939 _cell_length_c 6.06268939 _cell_angle_alpha 146.56206900 _cell_angle_beta 133.83372532 _cell_angle_gamma 58.19357172 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2Pb _chemical_formula_sum 'Sn2 Pb1' _cell_volume 87.84829333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 0.00000000 -0.00000000 3.47203488 1 Sn Sn2 1 -0.00000000 0.00000000 7.12311508 1 [/CIF]
PbSn2
Immm
71
orthorhombic
mmm
8,404.362246
false
[CIF] data_NaSiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03952400 _cell_length_b 4.03952400 _cell_length_c 5.73356276 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSiCl2 _chemical_formula_sum 'Na1 Si1 Cl2' _cell_volume 93.55886750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 4.96567748 1 Cl Cl1 1 2.01976200 2.01976200 2.29606994 1 Na Na2 1 0.00000000 0.00000000 2.07359973 1 Si Si3 1 2.01976200 2.01976200 4.99855975 1 [/CIF]
Cl2NaSi
P4mm
99
tetragonal
4mm
2,164.996953
false
[CIF] data_CrCdAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49550910 _cell_length_b 4.49550910 _cell_length_c 5.61999194 _cell_angle_alpha 100.69774715 _cell_angle_beta 100.69774715 _cell_angle_gamma 40.44772886 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCdAs2 _chemical_formula_sum 'Cr1 Cd1 As2' _cell_volume 72.22788179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.82399438 -0.00000000 1.04544740 1 As As1 1 1.50095033 0.00000000 4.46347976 1 Cd Cd2 1 3.66247236 -0.00000000 2.75446358 1 Cr Cr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2CdCr
C2/m
12
monoclinic
2/m
7,224.701693
false
[CIF] data_POs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22155124 _cell_length_b 5.22155124 _cell_length_c 5.22155124 _cell_angle_alpha 147.96438557 _cell_angle_beta 147.96438557 _cell_angle_gamma 45.93794287 _symmetry_Int_Tables_number 1 _chemical_formula_structural POs2 _chemical_formula_sum 'P1 Os2' _cell_volume 39.92100810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 -0.00000000 3.38239397 1 Os Os1 1 0.00000000 -0.00000000 6.23274090 1 P P2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os4P2
I4/mmm
139
tetragonal
4/mmm
17,113.99452
false
[CIF] data_HCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17044743 _cell_length_b 4.17044743 _cell_length_c 4.17044743 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HCl3 _chemical_formula_sum 'H1 Cl3' _cell_volume 72.53505666 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08522372 2.08522372 1 Cl Cl1 1 2.08522372 0.00000000 2.08522372 1 Cl Cl2 1 2.08522372 2.08522372 0.00000000 1 H H3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl3H
Pm-3m
221
cubic
m-3m
2,457.942498
false
[CIF] data_La2Y _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93242501 _cell_length_b 6.93242501 _cell_length_c 6.93242501 _cell_angle_alpha 145.27953278 _cell_angle_beta 145.27953278 _cell_angle_gamma 49.91815203 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Y _chemical_formula_sum 'La2 Y1' _cell_volume 107.56490382 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 -0.00000000 8.30091905 1 La La1 1 0.00000000 -0.00000000 4.26908451 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2Y
I4/mmm
139
tetragonal
4/mmm
5,661.210437
false
[CIF] data_POs2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26931073 _cell_length_b 4.26931073 _cell_length_c 4.26931073 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural POs2Cl _chemical_formula_sum 'P1 Os2 Cl1' _cell_volume 55.02477782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.01885857 3.01885857 3.01885857 1 Os Os1 1 4.52828786 4.52828786 4.52828786 1 Os Os2 1 1.50942928 1.50942928 1.50942928 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClOs2P
Fm-3m
225
cubic
m-3m
13,486.159438
false
[CIF] data_Ag2SnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16891939 _cell_length_b 4.30588866 _cell_length_c 6.22175532 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2SnHg _chemical_formula_sum 'Ag2 Sn1 Hg1' _cell_volume 84.89593886 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58445970 2.15294433 1.56830554 1 Ag Ag1 1 1.58445970 2.15294433 4.65344978 1 Hg Hg2 1 0.00000000 0.00000000 3.11087766 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2HgSn
Pmmm
47
orthorhombic
mmm
10,465.151293
false
[CIF] data_KP2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94464177 _cell_length_b 5.94464177 _cell_length_c 5.94464177 _cell_angle_alpha 148.13314681 _cell_angle_beta 116.23126614 _cell_angle_gamma 73.06583532 _symmetry_Int_Tables_number 1 _chemical_formula_structural KP2Se _chemical_formula_sum 'K1 P2 Se1' _cell_volume 97.90600284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.27412423 1 P P1 1 -0.00000000 3.13999946 4.04930273 1 P P2 1 0.00000000 -0.00000000 7.38330649 1 Se Se3 1 0.00000000 3.13999946 0.62309285 1 [/CIF]
KP2Se
Imm2
44
orthorhombic
mm2
3,052.996694
false
[CIF] data_TlPdPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.87365571 _cell_length_b 9.87365571 _cell_length_c 9.87365571 _cell_angle_alpha 21.07089934 _cell_angle_beta 21.07089934 _cell_angle_gamma 21.07089934 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlPdPb2 _chemical_formula_sum 'Tl1 Pd1 Pb2' _cell_volume 108.96408032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.00000000 -0.00000000 7.70187042 1 Pb Pb1 1 -0.00000000 -0.00000000 21.25138132 1 Pd Pd2 1 -0.00000000 0.00000000 -0.00000000 1 Tl Tl3 1 0.00000000 -0.00000000 14.47662587 1 [/CIF]
Pb2PdTl
R-3m
166
trigonal
-3m
11,051.609001
false
[CIF] data_CuSbPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95756050 _cell_length_b 5.95756050 _cell_length_c 5.95756050 _cell_angle_alpha 134.43909548 _cell_angle_beta 134.43909548 _cell_angle_gamma 66.40297891 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSbPb2 _chemical_formula_sum 'Cu1 Sb1 Pb2' _cell_volume 106.10459448 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.30677368 -0.00000000 2.49249461 1 Pb Pb2 1 0.00000000 -0.00000000 4.98498922 1 Sb Sb3 1 -0.00000000 2.30677368 2.49249461 1 [/CIF]
CuPb2Sb
I-4m2
119
tetragonal
-42m
9,385.411126
false
[CIF] data_AcS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04396107 _cell_length_b 4.04396107 _cell_length_c 4.04510265 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcS _chemical_formula_sum 'Ac1 S1' _cell_volume 57.28937842 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000002 2.33478200 2.02255132 1 S S1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AcS
P-6m2
187
hexagonal
-6m2
7,509.036055
false
[CIF] data_CaVCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23701746 _cell_length_b 5.23701746 _cell_length_c 5.23701746 _cell_angle_alpha 147.32169118 _cell_angle_beta 124.05808064 _cell_angle_gamma 66.31248394 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaVCr2 _chemical_formula_sum 'Ca1 V1 Cr2' _cell_volume 63.46461708 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 0.00000000 2.45628678 1.92710871 1 Cr Cr2 1 1.47329110 0.00000000 2.45722938 1 V V3 1 0.00000000 0.00000000 4.38433809 1 [/CIF]
CaCr2V
Immm
71
orthorhombic
mmm
5,102.442293
false
[CIF] data_Li2MnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96816488 _cell_length_b 4.96816488 _cell_length_c 4.96816488 _cell_angle_alpha 135.77368912 _cell_angle_beta 132.90058188 _cell_angle_gamma 66.58933623 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MnAu _chemical_formula_sum 'Li2 Mn1 Au1' _cell_volume 61.66492808 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 4.15268259 1 Li Li1 1 1.87020103 -0.00000000 2.09909675 1 Li Li2 1 0.00000000 1.98500319 2.05358584 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuLi2Mn
Immm
71
orthorhombic
mmm
7,157.213503
false
[CIF] data_KRuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67391541 _cell_length_b 4.13020453 _cell_length_c 7.73996349 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRuBr2 _chemical_formula_sum 'K1 Ru1 Br2' _cell_volume 117.44637681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.83625154 1 Br Br1 1 1.83695771 2.06510227 3.77398205 1 K K2 1 0.00000000 0.00000000 2.30488721 1 Ru Ru3 1 1.83695771 2.06510227 6.43478800 1 [/CIF]
Br2KRu
Pmm2
25
orthorhombic
mm2
4,241.274859
false
[CIF] data_TaNi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45486291 _cell_length_b 4.45486291 _cell_length_c 4.45486291 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNi2Te _chemical_formula_sum 'Ta1 Ni2 Te1' _cell_volume 62.51554662 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57503189 1.57503189 1.57503189 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.72509566 4.72509566 4.72509566 1 Te Te3 1 3.15006377 3.15006377 3.15006377 1 [/CIF]
Ni2TaTe
F-43m
216
cubic
-43m
11,313.684582
false
[CIF] data_MnIn2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.17139422 _cell_length_b 9.17139422 _cell_length_c 9.17139422 _cell_angle_alpha 19.76906390 _cell_angle_beta 19.76906390 _cell_angle_gamma 19.76906390 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnIn2Ge _chemical_formula_sum 'Mn1 In2 Ge1' _cell_volume 77.18746432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 13.48411831 1 In In1 1 0.00000000 0.00000000 6.97515021 1 In In2 1 0.00000000 -0.00000000 19.99308641 1 Mn Mn3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
GeIn2Mn
R-3m
166
trigonal
-3m
7,684.769563
false
[CIF] data_TaGaCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33378225 _cell_length_b 4.33378225 _cell_length_c 4.33378225 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGaCu2 _chemical_formula_sum 'Ta1 Ga1 Cu2' _cell_volume 57.55542469 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 4.59667023 4.59667023 4.59667023 1 Ga Ga2 1 3.06444682 3.06444682 3.06444682 1 Ta Ta3 1 1.53222341 1.53222341 1.53222341 1 [/CIF]
Cu2GaTa
F-43m
216
cubic
-43m
10,898.886135
false
[CIF] data_KIrPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12967146 _cell_length_b 5.12967146 _cell_length_c 2.74049167 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.24706003 _symmetry_Int_Tables_number 1 _chemical_formula_structural KIrPd2 _chemical_formula_sum 'K1 Ir1 Pd2' _cell_volume 69.89409758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14941868 0.00000000 0.00000000 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.57470934 2.02451792 1.37024583 1 Pd Pd3 1 1.57470934 -2.02451792 1.37024583 1 [/CIF]
IrKPd2
Cmmm
65
orthorhombic
mmm
10,552.210455
false
[CIF] data_TaRuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45677296 _cell_length_b 5.45677296 _cell_length_c 5.45677296 _cell_angle_alpha 146.69080120 _cell_angle_beta 146.69080120 _cell_angle_gamma 47.82182067 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRuSe _chemical_formula_sum 'Ta1 Ru1 Se1' _cell_volume 48.80391186 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.00000000 0.00000000 0.06171807 1 Se Se1 1 0.00000000 -0.00000000 3.25970974 1 Ta Ta2 1 -0.00000000 0.00000000 6.65548258 1 [/CIF]
RuSeTa
I4mm
107
tetragonal
4mm
12,282.168562
false
[CIF] data_IrOs2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47698273 _cell_length_b 4.47698273 _cell_length_c 4.47698273 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrOs2Br _chemical_formula_sum 'Ir1 Os2 Br1' _cell_volume 63.45140753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.58285243 1.58285243 1.58285243 1 Os Os2 1 3.16570485 3.16570485 3.16570485 1 Os Os3 1 4.74855727 4.74855727 4.74855727 1 [/CIF]
BrIrOs2
F-43m
216
cubic
-43m
17,078.206564
false
[CIF] data_Na2TcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01562359 _cell_length_b 6.01562359 _cell_length_c 2.59511003 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 129.00193168 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TcW _chemical_formula_sum 'Na2 Tc1 W1' _cell_volume 72.98066567 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.29485059 -2.71482849 1.29755502 1 Na Na1 1 1.29485059 2.71482849 1.29755502 1 Tc Tc2 1 -0.00000000 0.00000000 0.00000000 1 W W3 1 2.58970118 0.00000000 0.00000000 1 [/CIF]
Na2TcW
Cmmm
65
orthorhombic
mmm
7,479.541685
false
[CIF] data_Na2MgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58149722 _cell_length_b 6.58149722 _cell_length_c 6.58149722 _cell_angle_alpha 156.30012222 _cell_angle_beta 126.77200877 _cell_angle_gamma 59.04960383 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MgMo _chemical_formula_sum 'Na2 Mg1 Mo1' _cell_volume 91.27956566 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.96676292 1 Mo Mo1 1 -0.00000000 2.94836260 2.67365802 1 Na Na2 1 0.00000000 0.00000000 11.31753798 1 Na Na3 1 1.35150488 -0.00000000 2.94940171 1 [/CIF]
MgMoNa2
Imm2
44
orthorhombic
mm2
3,024.286421
false
[CIF] data_B2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46949652 _cell_length_b 7.46949652 _cell_length_c 6.37220271 _cell_angle_alpha 105.43714486 _cell_angle_beta 105.43714486 _cell_angle_gamma 23.19509555 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2Br _chemical_formula_sum 'B4 Br2' _cell_volume 134.76015746 _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 B B0 1 5.79435970 -0.00000000 0.52019588 1 B B1 1 13.81670952 -0.00000000 0.12783669 1 B B2 1 -0.91422373 -0.00000000 6.00460478 1 B B3 1 7.10812609 0.00000000 5.61224559 1 Br Br4 1 8.44648769 -0.00000000 4.21806281 1 Br Br5 1 4.45599809 0.00000000 1.91437867 1 [/CIF]
B4Br2
C2/m
12
monoclinic
2/m
2,502.043519
false
[CIF] data_TlVSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83351798 _cell_length_b 4.83351798 _cell_length_c 4.83351798 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlVSe _chemical_formula_sum 'Tl1 V1 Se1' _cell_volume 79.85001779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.12672001 5.12672001 5.12672001 1 Tl Tl1 1 3.41781334 3.41781334 3.41781334 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SeTlV
F-43m
216
cubic
-43m
6,951.695004
false
[CIF] data_HfTcRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89149917 _cell_length_b 2.89149917 _cell_length_c 7.60287843 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.57989070 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTcRu2 _chemical_formula_sum 'Hf1 Tc1 Ru2' _cell_volume 63.54173415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01621606 0.00000000 1.85425021 1 Ru Ru1 1 0.00000000 0.00000000 7.48731605 1 Ru Ru2 1 2.01621606 0.00000000 5.66578133 1 Tc Tc3 1 0.00000000 0.00000000 3.99984849 1 [/CIF]
HfRu2Tc
Cmm2
35
orthorhombic
mm2
12,531.741612
false
[CIF] data_YRe2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19906066 _cell_length_b 4.19906066 _cell_length_c 4.27432451 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRe2Sn _chemical_formula_sum 'Y1 Re2 Sn1' _cell_volume 75.36536176 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 0.00000000 2.09953033 2.13716225 1 Re Re1 1 2.09953033 0.00000000 2.13716225 1 Sn Sn2 1 2.09953033 2.09953033 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Re2SnY
P4/mmm
123
tetragonal
4/mmm
12,779.962987
false
[CIF] data_SrIr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03345422 _cell_length_b 5.03345422 _cell_length_c 5.03345422 _cell_angle_alpha 131.16904678 _cell_angle_beta 131.16904678 _cell_angle_gamma 71.54463647 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrIr2Ru _chemical_formula_sum 'Sr1 Ir2 Ru1' _cell_volume 70.71334489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08058035 -0.00000000 2.04193733 1 Ir Ir1 1 0.00000000 -0.00000000 4.08387466 1 Ru Ru2 1 -0.00000000 2.08058035 2.04193733 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2RuSr
I-4m2
119
tetragonal
-42m
13,458.489249
false
[CIF] data_CaCuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96924250 _cell_length_b 4.41341062 _cell_length_c 5.42930127 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCuBr2 _chemical_formula_sum 'Ca1 Cu1 Br2' _cell_volume 95.10994045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.98462125 2.20670531 0.00000000 1 Br Br1 1 1.98462125 0.00000000 2.71465064 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Cu Cu3 1 0.00000000 2.20670531 2.71465064 1 [/CIF]
Br2CaCu
Pmmm
47
orthorhombic
mmm
4,599.299772
false
[CIF] data_VPdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36022151 _cell_length_b 4.36022151 _cell_length_c 4.36022151 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPdBr _chemical_formula_sum 'V1 Pd1 Br1' _cell_volume 58.61525552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.54157110 1.54157110 1.54157110 1 Pd Pd1 1 4.62471330 4.62471330 4.62471330 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrPdV
F-43m
216
cubic
-43m
6,721.605637
false
[CIF] data_Ba2SbPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91451300 _cell_length_b 3.91451300 _cell_length_c 8.63568630 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SbPt _chemical_formula_sum 'Ba2 Sb1 Pt1' _cell_volume 132.32817931 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95725650 1.95725650 2.39893087 1 Ba Ba1 1 1.95725650 1.95725650 6.23675543 1 Pt Pt2 1 0.00000000 0.00000000 4.31784315 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2PtSb
P4/mmm
123
tetragonal
4/mmm
7,422.497173
false
[CIF] data_NiSnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15749024 _cell_length_b 4.15749024 _cell_length_c 4.15749024 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSnIr _chemical_formula_sum 'Ni1 Sn1 Ir1' _cell_volume 50.81345399 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46989477 1.46989477 1.46989477 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 4.40968431 4.40968431 4.40968431 1 [/CIF]
IrNiSn
F-43m
216
cubic
-43m
12,078.870178
false
[CIF] data_LiBeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49458445 _cell_length_b 4.49458445 _cell_length_c 4.49458445 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBeAs2 _chemical_formula_sum 'Li1 Be1 As2' _cell_volume 64.20275074 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58907557 1.58907557 1.58907557 1 As As1 1 3.17815114 3.17815114 3.17815114 1 Be Be2 1 4.76722671 4.76722671 4.76722671 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2BeLi
F-43m
216
cubic
-43m
4,288.155356
false
[CIF] data_BeFeAgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41657857 _cell_length_b 4.41657857 _cell_length_c 4.41657857 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeFeAgHg _chemical_formula_sum 'Be1 Fe1 Ag1 Hg1' _cell_volume 60.91761421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56149633 1.56149633 1.56149633 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 3.12299266 3.12299266 3.12299266 1 Hg Hg3 1 4.68448899 4.68448899 4.68448899 1 [/CIF]
AgBeFeHg
F-43m
216
cubic
-43m
10,176.117106
false
[CIF] data_SrMn2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32199165 _cell_length_b 5.32199165 _cell_length_c 2.64423254 _cell_angle_alpha 98.57996921 _cell_angle_beta 98.57996921 _cell_angle_gamma 122.78606235 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMn2Co _chemical_formula_sum 'Sr1 Mn2 Co1' _cell_volume 59.82884326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 0.86212079 2.33615409 1.25629617 1 Mn Mn2 1 0.86212079 -2.33615409 1.25629617 1 Sr Sr3 1 2.54816238 -0.00000000 0.00000000 1 [/CIF]
CoMn2Sr
C2/m
12
monoclinic
2/m
7,117.149896
false
[CIF] data_ZnFeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68881696 _cell_length_b 2.68881696 _cell_length_c 7.40372040 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFeOs2 _chemical_formula_sum 'Zn1 Fe1 Os2' _cell_volume 53.52694868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.34440848 1.34440848 1.67986684 1 Os Os2 1 1.34440848 1.34440848 5.72385356 1 Zn Zn3 1 0.00000000 0.00000000 3.70186020 1 [/CIF]
FeOs2Zn
P4/mmm
123
tetragonal
4/mmm
15,563.516363
false
[CIF] data_BeAsOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87018374 _cell_length_b 3.87018374 _cell_length_c 3.87018374 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAsOs _chemical_formula_sum 'Be1 As1 Os1' _cell_volume 40.99017340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36831658 1.36831659 1.36831659 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.10494975 4.10494975 4.10494975 1 [/CIF]
AsBeOs
F-43m
216
cubic
-43m
11,106.556349
false
[CIF] data_In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43848246 _cell_length_b 3.43848246 _cell_length_c 3.43848246 _cell_angle_alpha 122.56666422 _cell_angle_beta 122.56666422 _cell_angle_gamma 85.60907658 _symmetry_Int_Tables_number 1 _chemical_formula_structural In _chemical_formula_sum In1 _cell_volume 27.54310857 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
In
I4/mmm
139
tetragonal
4/mmm
6,922.23153
false
[CIF] data_HfTcRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63473048 _cell_length_b 4.63473048 _cell_length_c 4.63473048 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTcRu3 _chemical_formula_sum 'Hf1 Tc1 Ru3' _cell_volume 99.55737841 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 2.31736524 0.00000000 2.31736524 1 Ru Ru1 1 2.31736524 2.31736524 0.00000000 1 Ru Ru2 1 0.00000000 2.31736524 2.31736524 1 Hf Hf3 1 2.31736524 2.31736524 2.31736524 1 Tc Tc4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfRu3Tc
Pm-3m
221
cubic
m-3m
9,684.056499
false
[CIF] data_KGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17022273 _cell_length_b 4.40007484 _cell_length_c 7.44616703 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGa3 _chemical_formula_sum 'K1 Ga3' _cell_volume 103.86820174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 2.20003742 7.06194637 1 Ga Ga1 1 1.58511136 2.20003742 4.52883422 1 Ga Ga2 1 1.58511136 0.00000000 5.98669856 1 K K3 1 0.00000000 0.00000000 2.27896621 1 [/CIF]
Ga3K
Pmm2
25
orthorhombic
mm2
3,969.044844
false
[CIF] data_SiHg2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53732955 _cell_length_b 4.53732955 _cell_length_c 4.76252122 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiHg2Pb _chemical_formula_sum 'Si1 Hg2 Pb1' _cell_volume 98.04773622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.26866477 2.38126061 1 Hg Hg1 1 2.26866477 0.00000000 2.38126061 1 Pb Pb2 1 2.26866477 2.26866477 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2PbSi
P4/mmm
123
tetragonal
4/mmm
10,779.196624
false
[CIF] data_Zn2AgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14466568 _cell_length_b 3.43514356 _cell_length_c 6.52328154 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.15302697 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2AgBr _chemical_formula_sum 'Zn2 Ag1 Br1' _cell_volume 91.42097633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75461184 1.71757178 3.59086287 1 Br Br1 1 2.92089350 0.00000000 1.49950111 1 Zn Zn2 1 2.63428206 1.71757178 6.03105830 1 Zn Zn3 1 0.17710244 0.00000000 4.93140256 1 [/CIF]
AgBrZn2
Pm
6
monoclinic
m
5,785.708962
false
[CIF] data_CrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97440076 _cell_length_b 2.97440076 _cell_length_c 7.66824550 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.69703844 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrHg _chemical_formula_sum 'Cr2 Hg2' _cell_volume 67.81167153 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 2.07184193 -1.06706735 7.14695150 1 Cr Cr1 1 2.07184193 1.06706735 0.52129400 1 Hg Hg2 1 2.07184193 -1.06706735 2.56409612 1 Hg Hg3 1 2.07184193 1.06706735 5.10414938 1 [/CIF]
Cr2Hg2
Cmme
67
orthorhombic
mmm
12,370.409909
false
[CIF] data_ReTc2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72578254 _cell_length_b 3.91398761 _cell_length_c 5.47801357 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTc2Rh _chemical_formula_sum 'Re1 Tc2 Rh1' _cell_volume 58.44316882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 1.36289127 1.95699380 2.70215416 1 Rh Rh1 1 0.00000000 0.00000000 4.10653020 1 Tc Tc2 1 1.36289127 1.95699380 0.05188375 1 Tc Tc3 1 0.00000000 0.00000000 1.35645230 1 [/CIF]
ReRhTc2
Pmm2
25
orthorhombic
mm2
13,834.941452
false
[CIF] data_KCoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25424624 _cell_length_b 6.25424624 _cell_length_c 6.25424624 _cell_angle_alpha 154.37401019 _cell_angle_beta 142.01968714 _cell_angle_gamma 46.38107617 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCoPd _chemical_formula_sum 'K1 Co1 Pd1' _cell_volume 64.91161461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.70157148 1 K K1 1 -0.00000000 -0.00000000 3.81156358 1 Pd Pd2 1 -0.00000000 0.00000000 6.98467590 1 [/CIF]
CoKPd
Imm2
44
orthorhombic
mm2
5,230.184101
false
[CIF] data_BaNbHgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22310354 _cell_length_b 5.22310354 _cell_length_c 5.22310354 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNbHgPt _chemical_formula_sum 'Ba1 Nb1 Hg1 Pt1' _cell_volume 100.75599749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.69329193 3.69329193 3.69329193 1 Hg Hg1 1 1.84664596 1.84664597 1.84664597 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 5.53993790 5.53993790 5.53993790 1 [/CIF]
BaHgNbPt
F-43m
216
cubic
-43m
10,315.452008
false
[CIF] data_BaLiRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30085989 _cell_length_b 6.30085989 _cell_length_c 6.30085989 _cell_angle_alpha 153.55965896 _cell_angle_beta 136.84517787 _cell_angle_gamma 51.32466418 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiRe2 _chemical_formula_sum 'Ba1 Li1 Re2' _cell_volume 75.85334774 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.67935521 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.44096631 0.00000000 2.60285451 1 Re Re3 1 0.00000000 2.31719137 3.07650070 1 [/CIF]
BaLiRe2
Immm
71
orthorhombic
mmm
11,310.913382
false
[CIF] data_HfCuCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22630280 _cell_length_b 3.22630280 _cell_length_c 7.59545605 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCuCl2 _chemical_formula_sum 'Hf1 Cu1 Cl2' _cell_volume 79.06132804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.08814870 1 Cl Cl1 1 1.61315140 1.61315140 2.69550529 1 Cu Cu2 1 0.00000000 0.00000000 3.82317068 1 Hf Hf3 1 1.61315140 1.61315140 5.38181545 1 [/CIF]
Cl2CuHf
P4mm
99
tetragonal
4mm
6,572.776216
false
[CIF] data_ZrZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04120162 _cell_length_b 5.04120162 _cell_length_c 5.04120162 _cell_angle_alpha 140.83203213 _cell_angle_beta 140.83203213 _cell_angle_gamma 56.59212862 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZnRu _chemical_formula_sum 'Zr1 Zn1 Ru1' _cell_volume 50.69602871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 -0.00000000 0.00000000 0.00272686 1 Zn Zn1 1 -0.00000000 0.00000000 3.03204348 1 Zr Zr2 1 0.00000000 0.00000000 5.84288570 1 [/CIF]
RuZnZr
I4mm
107
tetragonal
4mm
8,440.064327
false
[CIF] data_CaHg2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42020887 _cell_length_b 6.42020887 _cell_length_c 4.10413212 _cell_angle_alpha 108.50643590 _cell_angle_beta 108.50643590 _cell_angle_gamma 122.87903736 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHg2Au _chemical_formula_sum 'Ca1 Hg2 Au1' _cell_volume 106.24107035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06941308 -0.00000000 0.00000000 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 0.17229796 2.81947625 1.53454161 1 Hg Hg3 1 0.17229796 -2.81947625 1.53454161 1 [/CIF]
AuCaHg2
C2/m
12
monoclinic
2/m
9,975.396771
false
[CIF] data_Sr2IrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04219266 _cell_length_b 6.04219266 _cell_length_c 5.26255727 _cell_angle_alpha 104.76671668 _cell_angle_beta 104.76671668 _cell_angle_gamma 33.85817444 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2IrAu _chemical_formula_sum 'Sr2 Ir1 Au1' _cell_volume 103.17179991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.63074226 0.00000000 2.59667283 1 Ir Ir1 1 8.68245729 -0.00000000 1.12346606 1 Sr Sr2 1 0.26031324 0.00000000 0.33771612 1 Sr Sr3 1 1.66441456 -0.00000000 3.55065337 1 [/CIF]
AuIrSr2
Cm
8
monoclinic
m
9,084.336875
false
[CIF] data_BiPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93039670 _cell_length_b 7.93039670 _cell_length_c 7.93039670 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiPd4 _chemical_formula_sum 'Bi4 Pd16' _cell_volume 383.93954576 _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 Bi Bi0 1 1.53297512 1.53297512 1.53297512 1 Bi Bi1 1 -3.04564155 3.04564155 3.04564155 1 Bi Bi2 1 3.04564155 -3.04564155 3.04564155 1 Bi Bi3 1 3.04564155 3.04564155 -3.04564155 1 Pd Pd4 1 3.04780953 3.04780953 3.04780953 1 Pd Pd5 1 -1.53080714 1.53080714 1.53080714 1 Pd Pd6 1 1.53080714 -1.53080714 1.53080714 1 Pd Pd7 1 1.53080714 1.53080714 -1.53080714 1 Pd Pd8 1 0.00000000 -0.00000000 5.99339896 1 Pd Pd9 1 -0.00000000 0.00000000 3.16383438 1 Pd Pd10 1 0.00000000 5.99339896 -0.00000000 1 Pd Pd11 1 -0.00000000 3.16383438 0.00000000 1 Pd Pd12 1 5.99339896 0.00000000 -0.00000000 1 Pd Pd13 1 3.16383438 -0.00000000 0.00000000 1 Pd Pd14 1 4.57861667 0.00000000 2.28930834 1 Pd Pd15 1 -0.00000000 4.57861667 2.28930833 1 Pd Pd16 1 -0.00000000 2.28930834 4.57861667 1 Pd Pd17 1 4.57861667 2.28930834 -0.00000000 1 Pd Pd18 1 2.28930833 4.57861667 0.00000000 1 Pd Pd19 1 2.28930833 0.00000000 4.57861667 1 [/CIF]
Bi4Pd16
I-43m
217
cubic
-43m
10,979.628432
false
[CIF] data_VTcCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84513564 _cell_length_b 4.09951143 _cell_length_c 5.43810158 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTcCl2 _chemical_formula_sum 'V1 Tc1 Cl2' _cell_volume 63.42820092 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42256782 0.00000000 2.71905079 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 0.00000000 2.04975571 2.71905079 1 V V3 1 1.42256782 2.04975571 0.00000000 1 [/CIF]
Cl2TcV
Pmmm
47
orthorhombic
mmm
5,779.29277
false
[CIF] data_TiCrCdIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43230016 _cell_length_b 4.43230016 _cell_length_c 4.43230016 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrCdIr _chemical_formula_sum 'Ti1 Cr1 Cd1 Ir1' _cell_volume 61.57047346 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56705475 1.56705475 1.56705475 1 Cr Cr1 1 4.70116425 4.70116425 4.70116425 1 Ir Ir2 1 3.13410950 3.13410950 3.13410950 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCrIrTi
F-43m
216
cubic
-43m
10,909.015895
false
[CIF] data_BaZnAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79763152 _cell_length_b 3.79763152 _cell_length_c 6.96387618 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZnAu2 _chemical_formula_sum 'Ba1 Zn1 Au2' _cell_volume 100.43305821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89881576 1.89881576 6.76330784 1 Au Au1 1 0.00000000 0.00000000 1.45098614 1 Ba Ba2 1 1.89881576 1.89881576 3.39388503 1 Zn Zn3 1 0.00000000 0.00000000 5.80151144 1 [/CIF]
Au2BaZn
P4mm
99
tetragonal
4mm
9,864.722587
false
[CIF] data_KCu2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94406870 _cell_length_b 4.94406870 _cell_length_c 3.74692825 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCu2Pb _chemical_formula_sum 'K1 Cu2 Pb1' _cell_volume 91.58922212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 2.47203435 0.00000000 1.87346412 1 Cu Cu1 1 0.00000000 2.47203435 1.87346412 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 2.47203435 2.47203435 0.00000000 1 [/CIF]
Cu2KPb
P4/mmm
123
tetragonal
4/mmm
6,769.921885
false
[CIF] data_LiCrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66824052 _cell_length_b 8.66824052 _cell_length_c 8.66824052 _cell_angle_alpha 17.88969121 _cell_angle_beta 17.88969121 _cell_angle_gamma 17.88969121 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrRh2 _chemical_formula_sum 'Li1 Cr1 Rh2' _cell_volume 53.65844023 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.79108826 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 -0.00000000 -0.00000000 19.29249706 1 Rh Rh3 1 -0.00000000 -0.00000000 6.28967945 1 [/CIF]
CrLiRh2
R-3m
166
trigonal
-3m
8,193.017923
false
[CIF] data_CaNbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75279641 _cell_length_b 4.75279641 _cell_length_c 4.75279641 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNbCl _chemical_formula_sum 'Ca1 Nb1 Cl1' _cell_volume 75.91588089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68036729 1.68036729 1.68036729 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 5.04110186 5.04110186 5.04110186 1 [/CIF]
CaClNb
F-43m
216
cubic
-43m
3,684.299602
false
[CIF] data_SrCr3Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01309839 _cell_length_b 6.01309839 _cell_length_c 6.01309839 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCr3Hg _chemical_formula_sum 'Sr1 Cr3 Hg1' _cell_volume 217.41771659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 3.00654920 3.00654920 3.00654920 1 Cr Cr2 1 0.00000000 3.00654920 0.00000000 1 Cr Cr3 1 0.00000000 0.00000000 3.00654920 1 Cr Cr4 1 3.00654920 0.00000000 0.00000000 1 [/CIF]
Cr3HgSr
Pm-3m
221
cubic
m-3m
3,392.587513
false
[CIF] data_ZrOs2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21088696 _cell_length_b 5.21088696 _cell_length_c 5.21088696 _cell_angle_alpha 135.31802827 _cell_angle_beta 135.31802827 _cell_angle_gamma 65.03645510 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrOs2Br _chemical_formula_sum 'Zr1 Os2 Br1' _cell_volume 68.95610665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.98075141 0.00000000 2.19696328 1 Os Os2 1 0.00000000 -0.00000000 4.39392656 1 Zr Zr3 1 -0.00000000 1.98075141 2.19696328 1 [/CIF]
BrOs2Zr
I-4m2
119
tetragonal
-42m
13,282.847121
false
[CIF] data_HfMoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97521303 _cell_length_b 4.97521303 _cell_length_c 4.59079779 _cell_angle_alpha 102.04790467 _cell_angle_beta 102.04790467 _cell_angle_gamma 38.91322028 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMoAs2 _chemical_formula_sum 'Hf1 Mo1 As2' _cell_volume 69.60795341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.33208808 -0.00000000 4.17275525 1 As As1 1 6.77625485 0.00000000 1.35878767 1 Hf Hf2 1 4.14642520 -0.00000000 1.92311044 1 Mo Mo3 1 1.66005026 0.00000000 3.73759284 1 [/CIF]
As2HfMo
Cm
8
monoclinic
m
10,121.76626
false
[CIF] data_Fe2GeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28600488 _cell_length_b 4.28600488 _cell_length_c 3.08920384 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2GeSb _chemical_formula_sum 'Fe2 Ge1 Sb1' _cell_volume 56.74817357 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14300244 0.00000000 1.54460192 1 Fe Fe1 1 0.00000000 2.14300244 1.54460192 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 2.14300244 2.14300244 0.00000000 1 [/CIF]
Fe2GeSb
P4/mmm
123
tetragonal
4/mmm
8,956.665403
false
[CIF] data_Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18579036 _cell_length_b 3.18579036 _cell_length_c 5.18708152 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg _chemical_formula_sum Mg2 _cell_volume 45.59194209 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 -0.00000000 1.83931692 1.29677038 1 Mg Mg1 1 1.59289518 0.91965846 3.89031114 1 [/CIF]
Mg2
P6_3/mmc
194
hexagonal
6/mmm
1,770.462067
false
[CIF] data_TaNi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67820221 _cell_length_b 4.67820221 _cell_length_c 4.45674322 _cell_angle_alpha 102.52968046 _cell_angle_beta 102.52968046 _cell_angle_gamma 35.47349109 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNi2Pt _chemical_formula_sum 'Ta1 Ni2 Pt1' _cell_volume 55.11621760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05322440 -0.00000000 0.03209795 1 Ni Ni1 1 6.38918742 -0.00000000 1.02946279 1 Pt Pt2 1 3.90495063 -0.00000000 2.13266424 1 Ta Ta3 1 1.49744419 -0.00000000 3.31516794 1 [/CIF]
Ni2PtTa
Cm
8
monoclinic
m
14,865.697067
false
[CIF] data_Ga2SnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12475041 _cell_length_b 5.30580431 _cell_length_c 5.78664191 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.38255563 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2SnSb _chemical_formula_sum 'Ga2 Sn1 Sb1' _cell_volume 95.93641587 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07868884 2.65290216 5.72701409 1 Ga Ga1 1 2.28819862 0.00000000 4.37728935 1 Sb Sb2 1 1.48658169 2.65290216 3.03792270 1 Sn Sn3 1 0.86181617 0.00000000 1.32405617 1 [/CIF]
Ga2SbSn
Pm
6
monoclinic
m
6,575.869594
false
[CIF] data_La2YPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66841079 _cell_length_b 3.66841079 _cell_length_c 8.80601040 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2YPt _chemical_formula_sum 'La2 Y1 Pt1' _cell_volume 118.50457503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83420539 1.83420539 8.73568296 1 La La1 1 0.00000000 0.00000000 2.70550747 1 Pt Pt2 1 1.83420539 1.83420539 4.53804061 1 Y Y3 1 0.00000000 0.00000000 6.03579495 1 [/CIF]
La2PtY
P4mm
99
tetragonal
4mm
7,872.282997
false
[CIF] data_Sc2SnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75194823 _cell_length_b 7.75194823 _cell_length_c 7.75194823 _cell_angle_alpha 27.48262150 _cell_angle_beta 27.48262150 _cell_angle_gamma 27.48262150 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2SnP _chemical_formula_sum 'Sc2 Sn1 P1' _cell_volume 87.56040088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 -0.00000000 -0.00000000 1 Sc Sc1 1 -0.00000000 0.00000000 5.98529525 1 Sc Sc2 1 -0.00000000 -0.00000000 16.37864558 1 Sn Sn3 1 -0.00000000 -0.00000000 11.18197042 1 [/CIF]
PSc2Sn
R-3m
166
trigonal
-3m
4,552.062277
false
[CIF] data_YSnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64286211 _cell_length_b 4.64286211 _cell_length_c 3.72291313 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSnPd2 _chemical_formula_sum 'Y1 Sn1 Pd2' _cell_volume 80.25174301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32143106 1.86145656 1 Pd Pd1 1 2.32143106 0.00000000 1.86145656 1 Sn Sn2 1 2.32143106 2.32143106 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2SnY
P4/mmm
123
tetragonal
4/mmm
8,699.915273
false
[CIF] data_Cr2SiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14089482 _cell_length_b 3.14089482 _cell_length_c 6.35605046 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2SiPb _chemical_formula_sum 'Cr2 Si1 Pb1' _cell_volume 62.70383784 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57044741 1.57044741 6.24626412 1 Cr Cr1 1 0.00000000 0.00000000 1.29663410 1 Pb Pb2 1 1.57044741 1.57044741 3.08725778 1 Si Si3 1 0.00000000 0.00000000 5.25997015 1 [/CIF]
Cr2PbSi
P4mm
99
tetragonal
4mm
8,984.838803
false
[CIF] data_MgRe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70849435 _cell_length_b 2.70849435 _cell_length_c 8.34909664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRe2Rh _chemical_formula_sum 'Mg1 Re2 Rh1' _cell_volume 61.24848573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.35424718 1.35424718 2.20084767 1 Re Re2 1 1.35424718 1.35424718 6.14824897 1 Rh Rh3 1 0.00000000 0.00000000 4.17454832 1 [/CIF]
MgRe2Rh
P4/mmm
123
tetragonal
4/mmm
13,545.575715
false
[CIF] data_TiSnIr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23684121 _cell_length_b 5.23684121 _cell_length_c 5.23684121 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSnIr4 _chemical_formula_sum 'Ti1 Sn1 Ir4' _cell_volume 101.55310774 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.62846841 4.62846841 2.77754345 1 Ir Ir1 1 4.62846841 2.77754345 4.62846841 1 Ir Ir2 1 2.77754345 4.62846841 4.62846841 1 Ir Ir3 1 2.77754345 2.77754345 2.77754345 1 Sn Sn4 1 5.55450889 5.55450889 5.55450890 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir4SnTi
F-43m
216
cubic
-43m
15,295.868357
false