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_LiAgIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13149931 _cell_length_b 5.13149931 _cell_length_c 5.13149931 _cell_angle_alpha 137.84175075 _cell_angle_beta 137.84175075 _cell_angle_gamma 61.14545120 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAgIr2 _chemical_formula_sum 'Li1 Ag1 Ir2' _cell_volume 60.19559858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 4.41814007 1 Ir Ir1 1 -0.00000000 1.84557897 2.20907004 1 Ir Ir2 1 1.84557897 0.00000000 2.20907004 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgIr2Li
I4/mmm
139
tetragonal
4/mmm
13,771.98428
false
[CIF] data_Nb2CdTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26830657 _cell_length_b 3.26830657 _cell_length_c 7.36546554 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2CdTe _chemical_formula_sum 'Nb2 Cd1 Te1' _cell_volume 78.67663483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.63415329 1.63415329 1.95519487 1 Nb Nb2 1 1.63415329 1.63415329 5.41027067 1 Te Te3 1 0.00000000 0.00000000 3.68273277 1 [/CIF]
CdNb2Te
P4/mmm
123
tetragonal
4/mmm
8,987.38222
false
[CIF] data_In2BPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83207458 _cell_length_b 4.83207458 _cell_length_c 4.83207458 _cell_angle_alpha 133.06724307 _cell_angle_beta 115.25068358 _cell_angle_gamma 83.71721011 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2BPt _chemical_formula_sum 'In2 B1 Pt1' _cell_volume 71.66905174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 -0.00000000 2.58735027 2.02243787 1 In In2 1 1.92418459 0.00000000 1.57646154 1 Pt Pt3 1 0.00000000 -0.00000000 3.59889941 1 [/CIF]
BIn2Pt
Immm
71
orthorhombic
mmm
10,091.053567
false
[CIF] data_ScCu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77671141 _cell_length_b 3.77671141 _cell_length_c 4.90622001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCu2Br _chemical_formula_sum 'Sc1 Cu2 Br1' _cell_volume 69.98010988 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88835570 1.88835570 0.00000000 1 Cu Cu1 1 1.88835570 0.00000000 2.45311001 1 Cu Cu2 1 0.00000000 1.88835570 2.45311001 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrCu2Sc
P4/mmm
123
tetragonal
4/mmm
5,978.498655
false
[CIF] data_Ba2TaRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37110055 _cell_length_b 5.37110055 _cell_length_c 5.37110055 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TaRe _chemical_formula_sum 'Ba2 Ta1 Re1' _cell_volume 109.56575854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89897081 1.89897081 1.89897081 1 Ba Ba1 1 5.69691243 5.69691243 5.69691243 1 Re Re2 1 3.79794162 3.79794162 3.79794162 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2ReTa
Fm-3m
225
cubic
m-3m
9,727.023595
false
[CIF] data_VRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31349761 _cell_length_b 4.31349761 _cell_length_c 4.31349761 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRe _chemical_formula_sum 'V2 Re2' _cell_volume 56.75102202 _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 Re Re0 1 3.05010341 3.05010341 3.05010341 1 Re Re1 1 4.57515512 4.57515512 4.57515512 1 V V2 1 1.52505171 1.52505171 1.52505171 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Re2V2
Fd-3m
227
cubic
m-3m
13,877.965005
false
[CIF] data_SrMnSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10543388 _cell_length_b 6.10543388 _cell_length_c 6.10543388 _cell_angle_alpha 148.51943026 _cell_angle_beta 148.51943026 _cell_angle_gamma 45.11916377 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnSe _chemical_formula_sum 'Sr1 Mn1 Se1' _cell_volume 61.86775308 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.81026990 1 Se Se1 1 -0.00000000 0.00000000 4.25096985 1 Sr Sr2 1 0.00000000 -0.00000000 7.49177096 1 [/CIF]
MnSeSr
I4mm
107
tetragonal
4mm
5,945.629698
false
[CIF] data_K2NpCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05518244 _cell_length_b 6.05518244 _cell_length_c 6.05518244 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NpCd _chemical_formula_sum 'K2 Np1 Cd1' _cell_volume 156.98808829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 2.14083028 2.14083028 2.14083028 1 K K2 1 6.42249085 6.42249085 6.42249085 1 Np Np3 1 4.28166057 4.28166057 4.28166057 1 [/CIF]
CdK2Np
Fm-3m
225
cubic
m-3m
4,523.01275
false
[CIF] data_MgZr2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53857438 _cell_length_b 5.53857438 _cell_length_c 5.50230599 _cell_angle_alpha 100.05106852 _cell_angle_beta 100.05106852 _cell_angle_gamma 33.36619383 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZr2Sn _chemical_formula_sum 'Mg1 Zr2 Sn1' _cell_volume 91.27743467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 -0.00000000 0.00000000 1 Sn Sn1 1 4.80419419 -0.00000000 2.70510536 1 Zr Zr2 1 1.81817613 -0.00000000 4.05267112 1 Zr Zr3 1 7.79021225 -0.00000000 1.35753959 1 [/CIF]
MgSnZr2
C2/m
12
monoclinic
2/m
5,920.89412
false
[CIF] data_Ga2CuGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00331938 _cell_length_b 5.00331938 _cell_length_c 4.85338920 _cell_angle_alpha 100.74999838 _cell_angle_beta 100.74999838 _cell_angle_gamma 33.49697602 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2CuGe _chemical_formula_sum 'Ga2 Cu1 Ge1' _cell_volume 65.76836756 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 6.82354368 -0.00000000 1.12289728 1 Ga Ga2 1 1.81322561 -0.00000000 3.63752792 1 Ge Ge3 1 4.31838464 -0.00000000 2.38021260 1 [/CIF]
CuGa2Ge
C2/m
12
monoclinic
2/m
6,959.237716
false
[CIF] data_Cr2HgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79801345 _cell_length_b 4.79801345 _cell_length_c 2.72165346 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.69680486 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2HgRh _chemical_formula_sum 'Cr2 Hg1 Rh1' _cell_volume 57.80297419 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.32938897 1.99698729 1.36082673 1 Cr Cr1 1 1.32938897 -1.99698729 1.36082673 1 Hg Hg2 1 2.65877794 0.00000000 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2HgRh
Cmmm
65
orthorhombic
mmm
11,706.208702
false
[CIF] data_SrFePdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76629921 _cell_length_b 4.76629921 _cell_length_c 4.76629921 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrFePdPt _chemical_formula_sum 'Sr1 Fe1 Pd1 Pt1' _cell_volume 76.56475688 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 5.05542374 5.05542374 5.05542374 1 Pt Pt2 1 3.37028249 3.37028249 3.37028249 1 Sr Sr3 1 1.68514125 1.68514125 1.68514124 1 [/CIF]
FePdPtSr
F-43m
216
cubic
-43m
9,650.502895
false
[CIF] data_LiCr2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61165760 _cell_length_b 4.61165760 _cell_length_c 4.61165760 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCr2In _chemical_formula_sum 'Li1 Cr2 In1' _cell_volume 69.35154910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.89140154 4.89140154 4.89140154 1 Cr Cr1 1 1.63046718 1.63046718 1.63046718 1 In In2 1 3.26093436 3.26093436 3.26093436 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2InLi
Fm-3m
225
cubic
m-3m
5,405.339776
false
[CIF] data_SiAgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98311398 _cell_length_b 5.98311398 _cell_length_c 5.98311398 _cell_angle_alpha 152.34316081 _cell_angle_beta 139.07337826 _cell_angle_gamma 50.11171870 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAgPt2 _chemical_formula_sum 'Si1 Ag1 Pt2' _cell_volume 64.85239024 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 2.09174161 2.13984009 1 Pt Pt1 1 0.00000000 0.00000000 0.16857376 1 Pt Pt2 1 1.43005474 0.00000000 3.31700581 1 Si Si3 1 0.00000000 0.00000000 5.21473039 1 [/CIF]
AgPt2Si
Imm2
44
orthorhombic
mm2
13,471.294325
false
[CIF] data_AlIr2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17624184 _cell_length_b 4.17624184 _cell_length_c 3.47961091 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlIr2Se _chemical_formula_sum 'Al1 Ir2 Se1' _cell_volume 60.68787964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 2.08812092 1.73980545 1 Ir Ir2 1 2.08812092 0.00000000 1.73980545 1 Se Se3 1 2.08812092 2.08812092 0.00000000 1 [/CIF]
AlIr2Se
P4/mmm
123
tetragonal
4/mmm
13,417.633703
false
[CIF] data_BaBeSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38792697 _cell_length_b 5.38792697 _cell_length_c 6.64041476 _cell_angle_alpha 115.27954613 _cell_angle_beta 115.27954613 _cell_angle_gamma 44.10481648 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeSb2 _chemical_formula_sum 'Ba1 Be1 Sb2' _cell_volume 119.07373954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.46398949 0.00000000 2.94679621 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 6.43447664 0.00000000 0.69724157 1 Sb Sb3 1 0.49350235 -0.00000000 5.19635085 1 [/CIF]
BaBeSb2
C2/m
12
monoclinic
2/m
5,436.768885
false
[CIF] data_ScCr2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59260667 _cell_length_b 3.59260667 _cell_length_c 6.17386867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCr2Bi _chemical_formula_sum 'Sc1 Cr2 Bi1' _cell_volume 79.68502821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.08693434 1 Cr Cr1 1 1.79630334 1.79630334 4.65462116 1 Cr Cr2 1 1.79630334 1.79630334 1.51924751 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCr2Sc
P4/mmm
123
tetragonal
4/mmm
7,458.79484
false
[CIF] data_BeTl2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03124282 _cell_length_b 5.47152458 _cell_length_c 5.47152458 _cell_angle_alpha 39.99222133 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTl2Re _chemical_formula_sum 'Be1 Tl2 Re1' _cell_volume 77.56269451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03952022 1 Re Re1 1 2.01562141 0.00000000 3.19598563 1 Tl Tl2 1 0.00000000 -0.00000000 9.17596855 1 Tl Tl3 1 2.01562141 -0.00000000 6.09991884 1 [/CIF]
BeReTl2
Amm2
38
orthorhombic
mm2
12,930.752822
false
[CIF] data_MnPdW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38140058 _cell_length_b 4.38140058 _cell_length_c 4.38140058 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPdW2 _chemical_formula_sum 'Mn1 Pd1 W2' _cell_volume 59.47355320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.09811806 3.09811806 3.09811806 1 W W2 1 1.54905903 1.54905903 1.54905903 1 W W3 1 4.64717709 4.64717709 4.64717709 1 [/CIF]
MnPdW2
Fm-3m
225
cubic
m-3m
14,771.075447
false
[CIF] data_NiAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72251785 _cell_length_b 2.72251785 _cell_length_c 6.70500677 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAgRu _chemical_formula_sum 'Ni1 Ag1 Ru1' _cell_volume 43.03990690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36125894 0.78592320 0.07154256 1 Ni Ni1 1 0.00000000 0.00000000 2.33165652 1 Ru Ru2 1 0.00000001 1.57184640 4.30180776 1 [/CIF]
AgNiRu
P3m1
156
trigonal
3m
10,325.596872
false
[CIF] data_Co3Bi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07791564 _cell_length_b 8.07791564 _cell_length_c 6.25027091 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3Bi5 _chemical_formula_sum 'Co6 Bi10' _cell_volume 353.20602279 _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 4.03895782 2.33189339 3.12513546 1 Bi Bi1 1 0.00000000 4.66378677 0.00000000 1 Bi Bi2 1 0.00000000 4.66378677 3.12513546 1 Bi Bi3 1 4.03895782 2.33189339 0.00000000 1 Bi Bi4 1 -3.00467043 5.20424184 4.68770318 1 Bi Bi5 1 -1.03428739 1.79143831 1.56256773 1 Bi Bi6 1 1.03428739 1.79143831 4.68770318 1 Bi Bi7 1 6.00934086 0.00000000 4.68770318 1 Bi Bi8 1 2.06857479 0.00000000 1.56256773 1 Bi Bi9 1 3.00467043 5.20424184 1.56256773 1 Co Co10 1 -1.64826928 2.85488614 4.68770318 1 Co Co11 1 -2.39068854 4.14079401 1.56256773 1 Co Co12 1 2.39068854 4.14079401 4.68770318 1 Co Co13 1 3.29653857 0.00000000 4.68770318 1 Co Co14 1 4.78137708 0.00000000 1.56256773 1 Co Co15 1 1.64826928 2.85488614 1.56256773 1 [/CIF]
Bi10Co6
P6_3/mcm
193
hexagonal
6/mmm
11,487.251509
false
[CIF] data_NaCu2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72609547 _cell_length_b 4.72609547 _cell_length_c 2.80237923 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCu2Ru _chemical_formula_sum 'Na1 Cu2 Ru1' _cell_volume 62.59388193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36304773 0.00000000 1.40118962 1 Cu Cu1 1 0.00000000 2.36304773 1.40118962 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 2.36304773 2.36304773 0.00000000 1 [/CIF]
Cu2NaRu
P4/mmm
123
tetragonal
4/mmm
6,662.749005
false
[CIF] data_CaMnAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59976451 _cell_length_b 4.59976451 _cell_length_c 4.59976451 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnAs2 _chemical_formula_sum 'Ca1 Mn1 As2' _cell_volume 68.81637568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.87878701 4.87878701 4.87878701 1 As As1 1 1.62626234 1.62626234 1.62626234 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 3.25252468 3.25252468 3.25252468 1 [/CIF]
As2CaMn
Fm-3m
225
cubic
m-3m
5,908.50402
false
[CIF] data_TaAl2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81192833 _cell_length_b 4.81192833 _cell_length_c 4.81192833 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAl2Te _chemical_formula_sum 'Ta1 Al2 Te1' _cell_volume 78.78480271 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.10382073 5.10382073 5.10382073 1 Al Al1 1 1.70127358 1.70127358 1.70127358 1 Ta Ta2 1 3.40254715 3.40254715 3.40254715 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2TaTe
Fm-3m
225
cubic
m-3m
7,640.605622
false
[CIF] data_SrZrNbPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01334424 _cell_length_b 5.01334424 _cell_length_c 5.01334424 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrNbPt _chemical_formula_sum 'Sr1 Zr1 Nb1 Pt1' _cell_volume 89.09792334 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.31745457 5.31745457 5.31745457 1 Pt Pt1 1 1.77248486 1.77248486 1.77248485 1 Sr Sr2 1 0.00000000 -0.00000000 0.00000000 1 Zr Zr3 1 3.54496971 3.54496971 3.54496971 1 [/CIF]
NbPtSrZr
F-43m
216
cubic
-43m
8,700.502734
false
[CIF] data_TaBeNbRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44158973 _cell_length_b 4.44158973 _cell_length_c 4.44158973 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBeNbRe _chemical_formula_sum 'Ta1 Be1 Nb1 Re1' _cell_volume 61.95841853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 4.71101733 4.71101733 4.71101733 1 Re Re2 1 3.14067822 3.14067822 3.14067822 1 Ta Ta3 1 1.57033911 1.57033911 1.57033911 1 [/CIF]
BeNbReTa
F-43m
216
cubic
-43m
12,571.572903
false
[CIF] data_Hf2TcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48930407 _cell_length_b 5.48930407 _cell_length_c 4.38029849 _cell_angle_alpha 112.32601025 _cell_angle_beta 112.32601025 _cell_angle_gamma 35.68789447 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TcRh _chemical_formula_sum 'Hf2 Tc1 Rh1' _cell_volume 70.60134751 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.06893501 0.00000000 0.06517481 1 Hf Hf1 1 1.25747915 0.00000000 2.95706602 1 Rh Rh2 1 4.34194315 -0.00000000 2.04513750 1 Tc Tc3 1 7.38526699 0.00000000 0.95718900 1 [/CIF]
Hf2RhTc
Cm
8
monoclinic
m
13,142.744163
false
[CIF] data_Co2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38797455 _cell_length_b 4.38797455 _cell_length_c 4.38797455 _cell_angle_alpha 107.64897002 _cell_angle_beta 107.64897002 _cell_angle_gamma 113.18062524 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2P _chemical_formula_sum 'Co4 P2' _cell_volume 64.83262287 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.88300590 1.70704331 -0.00000000 1 Co Co1 1 1.70704331 0.88300590 2.41611482 1 Co Co2 1 3.47305511 0.88300590 -0.00000000 1 Co Co3 1 -0.88300590 1.70704331 2.41611482 1 P P4 1 0.00000000 0.00000000 3.62417223 1 P P5 1 0.00000000 -0.00000000 1.20805741 1 [/CIF]
Co4P2
I4/mcm
140
tetragonal
4/mmm
7,624.398833
false
[CIF] data_HfGa2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12411463 _cell_length_b 3.12411463 _cell_length_c 6.89128039 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGa2Pt _chemical_formula_sum 'Hf1 Ga2 Pt1' _cell_volume 67.25953213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56205732 1.56205732 4.98302386 1 Ga Ga1 1 1.56205732 1.56205732 1.90825653 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 3.44564020 1 [/CIF]
Ga2HfPt
P4/mmm
123
tetragonal
4/mmm
12,666.318512
false
[CIF] data_La2TlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21329345 _cell_length_b 5.21329345 _cell_length_c 4.59581990 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TlPb _chemical_formula_sum 'La2 Tl1 Pb1' _cell_volume 124.90716299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.60664673 2.29790995 1 La La1 1 2.60664673 0.00000000 2.29790995 1 Pb Pb2 1 2.60664673 2.60664673 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2PbTl
P4/mmm
123
tetragonal
4/mmm
9,164.952302
false
[CIF] data_BePdRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76050399 _cell_length_b 3.88981137 _cell_length_c 5.07193267 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.91123050 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePdRh2 _chemical_formula_sum 'Be1 Pd1 Rh2' _cell_volume 53.08467059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 -0.56663930 0.00000000 2.47185056 1 Rh Rh2 1 0.86567879 1.94490569 3.82086285 1 Rh Rh3 1 0.76154661 1.94490569 1.12283826 1 [/CIF]
BePdRh2
P2/m
10
monoclinic
2/m
10,048.792763
false
[CIF] data_LiTiTlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58505115 _cell_length_b 4.58505115 _cell_length_c 4.58505115 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiTlPd _chemical_formula_sum 'Li1 Ti1 Tl1 Pd1' _cell_volume 68.15811279 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 1.62106038 1.62106038 1.62106038 1 Ti Ti2 1 4.86318114 4.86318114 4.86318114 1 Tl Tl3 1 3.24212076 3.24212076 3.24212076 1 [/CIF]
LiPdTiTl
F-43m
216
cubic
-43m
8,907.404005
false
[CIF] data_BeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62463672 _cell_length_b 5.62463672 _cell_length_c 5.62463672 _cell_angle_alpha 148.72552955 _cell_angle_beta 148.72552955 _cell_angle_gamma 44.81546983 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeP2 _chemical_formula_sum 'Be1 P2' _cell_volume 47.80932536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 0.00000000 -0.00000000 6.28077110 1 P P2 1 0.00000000 0.00000000 4.11912124 1 [/CIF]
BeP2
I4/mmm
139
tetragonal
4/mmm
2,464.610472
false
[CIF] data_LiRhPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85088299 _cell_length_b 4.85088299 _cell_length_c 4.85088299 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiRhPb2 _chemical_formula_sum 'Li1 Rh1 Pb2' _cell_volume 80.71372675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.71504613 1.71504613 1.71504613 1 Pb Pb2 1 5.14513839 5.14513839 5.14513839 1 Rh Rh3 1 3.43009226 3.43009226 3.43009226 1 [/CIF]
LiPb2Rh
Fm-3m
225
cubic
m-3m
10,785.424348
false
[CIF] data_S3N2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94195137 _cell_length_b 14.45177623 _cell_length_c 8.18406574 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S3N2Cl _chemical_formula_sum 'S24 N16 Cl8' _cell_volume 939.32863350 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.79843053 5.80859462 0.82374864 1 Cl Cl1 1 6.11449653 13.03448273 0.82374864 1 Cl Cl2 1 1.82745484 5.80859462 3.26828423 1 Cl Cl3 1 2.14352084 13.03448273 3.26828423 1 Cl Cl4 1 5.79843053 1.41729350 4.91578151 1 Cl Cl5 1 6.11449653 8.64318161 4.91578151 1 Cl Cl6 1 1.82745484 1.41729350 7.36031710 1 Cl Cl7 1 2.14352084 8.64318161 7.36031710 1 N N8 1 0.88868125 4.56502794 0.24648753 1 N N9 1 3.08229444 11.79091606 0.24648753 1 N N10 1 3.65155620 2.05012522 1.91054461 1 N N11 1 0.31941949 9.27601333 1.91054461 1 N N12 1 7.62253188 2.05012522 2.18148826 1 N N13 1 4.29039517 9.27601333 2.18148826 1 N N14 1 4.85965693 4.56502794 3.84554534 1 N N15 1 7.05327012 11.79091606 3.84554534 1 N N16 1 0.88868125 2.66086017 4.33852040 1 N N17 1 3.08229444 9.88674829 4.33852040 1 N N18 1 3.65155620 5.17576290 6.00257748 1 N N19 1 0.31941949 12.40165101 6.00257748 1 N N20 1 7.62253188 5.17576290 6.27352113 1 N N21 1 4.29039517 12.40165101 6.27352113 1 N N22 1 4.85965693 2.66086017 7.93757821 1 N N23 1 7.05327012 9.88674829 7.93757821 1 S S24 1 1.36437745 6.10606478 0.21767634 1 S S25 1 2.60659824 13.33195289 0.21767634 1 S S26 1 3.87205129 3.21106140 0.85795509 1 S S27 1 0.09892439 10.43694952 0.85795509 1 S S28 1 4.33028593 0.59856930 1.65832603 1 S S29 1 7.58264113 7.82445742 1.65832603 1 S S30 1 0.35931024 0.59856930 2.43370684 1 S S31 1 3.61166544 7.82445742 2.43370684 1 S S32 1 7.84302698 3.21106140 3.23407778 1 S S33 1 4.06990008 10.43694952 3.23407778 1 S S34 1 5.33535313 6.10606478 3.87435653 1 S S35 1 6.57757392 13.33195289 3.87435653 1 S S36 1 1.36437745 1.11982334 4.30970921 1 S S37 1 2.60659824 8.34571145 4.30970921 1 S S38 1 3.87205129 4.01482671 4.94998796 1 S S39 1 0.09892439 11.24071483 4.94998796 1 S S40 1 4.33028593 6.62731881 5.75035890 1 S S41 1 7.58264113 13.85320693 5.75035890 1 S S42 1 0.35931024 6.62731881 6.52573971 1 S S43 1 3.61166544 13.85320693 6.52573971 1 S S44 1 7.84302698 4.01482671 7.32611065 1 S S45 1 4.06990008 11.24071483 7.32611065 1 S S46 1 5.33535313 1.11982334 7.96638940 1 S S47 1 6.57757392 8.34571145 7.96638940 1 [/CIF]
Cl8N16S24
Pbca
61
orthorhombic
mmm
2,257.9871
true
[CIF] data_La2YMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91809935 _cell_length_b 5.91809935 _cell_length_c 3.43020295 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.78446637 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2YMo _chemical_formula_sum 'La2 Y1 Mo1' _cell_volume 110.76441330 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63784717 2.46443333 1.71510147 1 La La1 1 1.63784717 -2.46443333 1.71510147 1 Mo Mo2 1 3.27569434 -0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2MoY
Cmmm
65
orthorhombic
mmm
6,936.2791
false
[CIF] data_Nb2SnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42219370 _cell_length_b 4.42219370 _cell_length_c 3.71970227 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2SnW _chemical_formula_sum 'Nb2 Sn1 W1' _cell_volume 72.74174294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.21109685 0.00000000 1.85985113 1 Nb Nb1 1 0.00000000 2.21109685 1.85985113 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 2.21109685 2.21109685 0.00000000 1 [/CIF]
Nb2SnW
P4/mmm
123
tetragonal
4/mmm
11,148.288155
false
[CIF] data_ZrScNbCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89893907 _cell_length_b 4.89893907 _cell_length_c 4.89893907 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScNbCd _chemical_formula_sum 'Zr1 Sc1 Nb1 Cd1' _cell_volume 83.13638137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.19610956 5.19610956 5.19610956 1 Nb Nb1 1 3.46407304 3.46407304 3.46407304 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 1.73203652 1.73203652 1.73203652 1 [/CIF]
CdNbScZr
F-43m
216
cubic
-43m
6,820.955942
false
[CIF] data_KScTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37469082 _cell_length_b 7.37469082 _cell_length_c 7.37469082 _cell_angle_alpha 152.14490413 _cell_angle_beta 142.36477041 _cell_angle_gamma 47.46453653 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScTc2 _chemical_formula_sum 'K1 Sc1 Tc2' _cell_volume 114.02291739 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.31047757 1 Sc Sc1 1 1.77504927 0.00000000 3.83249382 1 Tc Tc2 1 0.00000000 -0.00000000 12.03220576 1 Tc Tc3 1 0.00000000 2.37875604 3.82905497 1 [/CIF]
KScTc2
Imm2
44
orthorhombic
mm2
4,104.881119
false
[CIF] data_SrCrBiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10765554 _cell_length_b 5.10765554 _cell_length_c 5.10765554 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCrBiPd _chemical_formula_sum 'Sr1 Cr1 Bi1 Pd1' _cell_volume 94.22145471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80582894 1.80582894 1.80582894 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.61165787 3.61165787 3.61165787 1 Sr Sr3 1 5.41748681 5.41748681 5.41748681 1 [/CIF]
BiCrPdSr
F-43m
216
cubic
-43m
8,019.11493
false
[CIF] data_ReRhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39223337 _cell_length_b 4.39223337 _cell_length_c 4.39223337 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReRhPb _chemical_formula_sum 'Re1 Rh1 Pb1' _cell_volume 59.91578083 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.65866700 4.65866700 4.65866700 1 Re Re1 1 1.55288900 1.55288900 1.55288900 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbReRh
F-43m
216
cubic
-43m
13,755.078947
false
[CIF] data_Ni3Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57065690 _cell_length_b 2.68395834 _cell_length_c 10.74867214 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.56631983 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3Pt2 _chemical_formula_sum 'Ni6 Pt4' _cell_volume 130.71074739 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 2.75357443 2.01296876 8.34864956 1 Ni Ni1 1 3.45927853 0.67098959 6.29990245 1 Ni Ni2 1 -0.30393907 2.01296876 4.35518222 1 Ni Ni3 1 0.40176503 0.67098959 2.30643511 1 Ni Ni4 1 1.23038660 2.01296876 6.28469733 1 Ni Ni5 1 1.92495285 0.67098959 4.37038734 1 Pt Pt6 1 1.13028507 2.01296876 0.04151732 1 Pt Pt7 1 0.45960747 0.67098959 8.32000070 1 Pt Pt8 1 2.69573198 2.01296876 2.33508397 1 Pt Pt9 1 2.02505438 0.67098959 10.61356735 1 [/CIF]
Ni6Pt4
P2_1/m
11
monoclinic
2/m
14,387.1453
false
[CIF] data_SrSbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97561339 _cell_length_b 3.97561339 _cell_length_c 7.23323833 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSbCl2 _chemical_formula_sum 'Sr1 Sb1 Cl2' _cell_volume 114.32496164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98780669 1.98780669 6.80951834 1 Cl Cl1 1 0.00000000 0.00000000 1.73268362 1 Sb Sb2 1 1.98780669 1.98780669 3.47532559 1 Sr Sr3 1 0.00000000 0.00000000 6.06556828 1 [/CIF]
Cl2SbSr
P4mm
99
tetragonal
4mm
4,071.078146
false
[CIF] data_Li2MnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08957119 _cell_length_b 3.67242088 _cell_length_c 5.98935350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MnPb _chemical_formula_sum 'Li2 Mn1 Pb1' _cell_volume 67.95643711 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.12163323 1 Li Li1 1 1.54478560 1.83621044 1.55252613 1 Mn Mn2 1 0.00000000 0.00000000 2.94517947 1 Pb Pb3 1 1.54478560 1.83621044 4.36469135 1 [/CIF]
Li2MnPb
Pmm2
25
orthorhombic
mm2
6,744.645355
false
[CIF] data_VGa2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62169367 _cell_length_b 5.62169367 _cell_length_c 6.98867962 _cell_angle_alpha 108.24818674 _cell_angle_beta 108.24818674 _cell_angle_gamma 53.38628418 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGa2O5 _chemical_formula_sum 'V2 Ga4 O10' _cell_volume 166.03828212 _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 V V0 1 -1.22472007 -0.00000000 3.27268566 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 4.60729441 0.01614193 4.76574377 1 Ga Ga3 1 5.83201449 -0.01614193 1.49305811 1 Ga Ga4 1 1.76367052 0.01614193 5.05231322 1 Ga Ga5 1 2.98839060 -0.01614193 1.77962756 1 O O6 1 3.18548247 -1.50784833 4.90902850 1 O O7 1 4.41020254 1.50784833 1.63634283 1 O O8 1 3.57285580 0.83786748 6.24393734 1 O O9 1 4.79757588 -0.83786748 2.97125168 1 O O10 1 2.79810914 0.83786748 3.57411965 1 O O11 1 4.02282921 -0.83786748 0.30143399 1 O O12 1 0.23611590 -0.75276630 4.23432180 1 O O13 1 6.13484904 -0.75276630 5.58373519 1 O O14 1 1.46083598 0.75276630 0.96163614 1 O O15 1 7.35956911 0.75276630 2.31104953 1 [/CIF]
Ga8O20V4
C2/c
15
monoclinic
2/m
5,408.199916
false
[CIF] data_LaCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17304896 _cell_length_b 4.17304896 _cell_length_c 4.17304896 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCl _chemical_formula_sum 'La1 Cl1' _cell_volume 51.38607463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.95079122 2.95079122 2.95079122 1 [/CIF]
ClLa
Fm-3m
225
cubic
m-3m
5,634.387392
false
[CIF] data_ZrReBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70121072 _cell_length_b 4.70121072 _cell_length_c 4.70121072 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrReBr2 _chemical_formula_sum 'Zr1 Re1 Br2' _cell_volume 73.47069626 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66212899 1.66212899 1.66212899 1 Br Br1 1 4.98638697 4.98638697 4.98638697 1 Re Re2 1 3.32425798 3.32425798 3.32425798 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2ReZr
Fm-3m
225
cubic
m-3m
9,882.204441
false
[CIF] data_Mn2FeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40755455 _cell_length_b 4.40755455 _cell_length_c 2.59135926 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.17735481 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2FeOs _chemical_formula_sum 'Mn2 Fe1 Os1' _cell_volume 47.54751972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 1.27696165 1.79610780 1.29567963 1 Mn Mn2 1 1.27696165 -1.79610780 1.29567963 1 Os Os3 1 2.55392330 -0.00000000 0.00000000 1 [/CIF]
FeMn2Os
Cmmm
65
orthorhombic
mmm
12,431.157171
false
[CIF] data_LaNi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27634646 _cell_length_b 3.27634646 _cell_length_c 6.45453999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNi2Pt _chemical_formula_sum 'La1 Ni2 Pt1' _cell_volume 69.28591179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.91436702 1 Ni Ni1 1 1.63817323 1.63817323 0.42782143 1 Ni Ni2 1 0.00000000 0.00000000 1.44789810 1 Pt Pt3 1 1.63817323 1.63817323 2.89172344 1 [/CIF]
LaNi2Pt
P4mm
99
tetragonal
4mm
10,817.89805
false
[CIF] data_LuInGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00446905 _cell_length_b 5.00446905 _cell_length_c 5.00446905 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuInGe2 _chemical_formula_sum 'Lu1 In1 Ge2' _cell_volume 88.62556661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.30804100 5.30804100 5.30804100 1 Ge Ge1 1 1.76934700 1.76934700 1.76934700 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Lu Lu3 1 3.53869400 3.53869400 3.53869400 1 [/CIF]
Ge2InLu
Fm-3m
225
cubic
m-3m
8,151.621756
false
[CIF] data_Tl2TcSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18364737 _cell_length_b 3.18364737 _cell_length_c 9.46384163 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2TcSb _chemical_formula_sum 'Tl2 Tc1 Sb1' _cell_volume 95.92181332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 4.73192081 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.59182369 1.59182369 1.94475264 1 Tl Tl3 1 1.59182369 1.59182369 7.51908899 1 [/CIF]
SbTcTl2
P4/mmm
123
tetragonal
4/mmm
10,896.35108
false
[CIF] data_AgW2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17175005 _cell_length_b 5.17175005 _cell_length_c 4.74350640 _cell_angle_alpha 99.74167714 _cell_angle_beta 99.74167714 _cell_angle_gamma 32.61338278 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgW2Au _chemical_formula_sum 'Ag1 W2 Au1' _cell_volume 67.31019802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 -0.00000000 -0.00000000 0.00000000 1 Au Au1 1 4.54556726 -0.00000000 2.33460389 1 W W2 1 1.82653728 -0.00000000 3.48835336 1 W W3 1 7.26459724 -0.00000000 1.18085441 1 [/CIF]
AgAuW2
C2/m
12
monoclinic
2/m
16,590.904195
false
[CIF] data_Cu2SiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36753852 _cell_length_b 4.36753852 _cell_length_c 4.36753852 _cell_angle_alpha 132.47998538 _cell_angle_beta 129.78823871 _cell_angle_gamma 71.62200444 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2SiNi _chemical_formula_sum 'Cu2 Si1 Ni1' _cell_volume 46.19921981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85311325 3.49645607 1 Cu Cu1 1 -0.00000000 -0.00000000 1.77375427 1 Ni Ni2 1 -0.00000000 1.85311325 0.06578017 1 Si Si3 1 0.00000000 0.00000000 5.28959488 1 [/CIF]
Cu2NiSi
Imm2
44
orthorhombic
mm2
7,687.164115
false
[CIF] data_Co3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30251413 _cell_length_b 5.30251413 _cell_length_c 4.16937219 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3Sn _chemical_formula_sum 'Co6 Sn2' _cell_volume 101.52312220 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 1.43402315 3.12702914 1 Co Co1 1 -1.40935658 3.87510036 3.12702914 1 Co Co2 1 1.40935658 3.87510036 3.12702914 1 Co Co3 1 1.24190048 0.71701158 1.04234305 1 Co Co4 1 4.06061365 0.71701158 1.04234305 1 Co Co5 1 2.65125706 3.15808878 1.04234305 1 Sn Sn6 1 2.65125706 1.53070398 3.12702914 1 Sn Sn7 1 0.00000000 3.06140796 1.04234305 1 [/CIF]
Co6Sn2
P6_3/mmc
194
hexagonal
6/mmm
9,666.865749
false
[CIF] data_SrCu2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62926312 _cell_length_b 5.52108694 _cell_length_c 4.33680358 _cell_angle_alpha 68.43472664 _cell_angle_beta 65.80108253 _cell_angle_gamma 45.76419083 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCu2As _chemical_formula_sum 'Sr1 Cu2 As1' _cell_volume 87.39566480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 0.00000000 1.58169480 2.32817361 1 Cu Cu2 1 2.96661955 1.58169480 2.32817361 1 Sr Sr3 1 2.96661955 3.16338960 4.65634722 1 [/CIF]
AsCu2Sr
Fmmm
69
orthorhombic
mmm
5,503.414813
false
[CIF] data_TaCu2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41779358 _cell_length_b 5.41779358 _cell_length_c 5.41779358 _cell_angle_alpha 146.73436205 _cell_angle_beta 131.66962396 _cell_angle_gamma 59.93574502 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCu2Sn _chemical_formula_sum 'Ta1 Cu2 Sn1' _cell_volume 64.57127269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.17724683 1 Cu Cu1 1 1.55077432 -0.00000000 2.17078665 1 Sn Sn2 1 0.00000000 -0.00000000 4.58112373 1 Ta Ta3 1 -0.00000000 2.21787549 2.45777299 1 [/CIF]
Cu2SnTa
Imm2
44
orthorhombic
mm2
10,974.45997
false
[CIF] data_Fe6OsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17563904 _cell_length_b 6.17563904 _cell_length_c 10.09044115 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.45492531 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe6OsRu _chemical_formula_sum 'Fe24 Os4 Ru4' _cell_volume 362.86188312 _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 Fe Fe0 1 3.56622387 -2.51893085 7.56385039 1 Fe Fe1 1 1.78449638 -1.25889967 8.82751821 1 Fe Fe2 1 5.34795136 1.25889967 8.82751821 1 Fe Fe3 1 3.56622387 2.51893085 7.56385039 1 Fe Fe4 1 5.34795136 -1.25889967 8.82751821 1 Fe Fe5 1 1.78449638 1.25889967 8.82751821 1 Fe Fe6 1 0.00000000 0.00000000 5.04522057 1 Fe Fe7 1 5.34672376 1.26160177 6.30438786 1 Fe Fe8 1 5.34672376 -1.26160177 6.30438786 1 Fe Fe9 1 3.56622387 -2.51893085 2.52659076 1 Fe Fe10 1 1.78572398 -1.26160177 3.78605329 1 Fe Fe11 1 5.34672376 1.26160177 3.78605329 1 Fe Fe12 1 3.56622387 2.51893085 2.52659076 1 Fe Fe13 1 5.34672376 -1.26160177 3.78605329 1 Fe Fe14 1 1.78572398 1.26160177 3.78605329 1 Fe Fe15 1 0.00000000 0.00000000 0.00000000 1 Fe Fe16 1 5.34795136 1.25889967 1.26292294 1 Fe Fe17 1 5.34795136 -1.25889967 1.26292294 1 Fe Fe18 1 3.56622387 -0.00000000 5.04522057 1 Fe Fe19 1 1.78572398 1.26160177 6.30438786 1 Fe Fe20 1 1.78572398 -1.26160177 6.30438786 1 Fe Fe21 1 3.56622387 -0.00000000 0.00000000 1 Fe Fe22 1 1.78449638 1.25889967 1.26292294 1 Fe Fe23 1 1.78449638 -1.25889967 1.26292294 1 Os Os24 1 3.56622387 -2.52554791 5.04522057 1 Os Os25 1 3.56622387 2.52554791 5.04522057 1 Os Os26 1 3.56622387 -0.00000000 7.57936747 1 Os Os27 1 3.56622387 -0.00000000 2.51107368 1 Ru Ru28 1 3.56622387 -2.52506127 0.00000000 1 Ru Ru29 1 3.56622387 2.52506127 0.00000000 1 Ru Ru30 1 0.00000000 0.00000000 7.57974273 1 Ru Ru31 1 0.00000000 0.00000000 2.51069842 1 [/CIF]
Fe24Os4Ru4
Cmmm
65
orthorhombic
mmm
11,465.650194
false
[CIF] data_Be2AlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62319217 _cell_length_b 4.62319217 _cell_length_c 4.62319217 _cell_angle_alpha 129.90725073 _cell_angle_beta 129.90725073 _cell_angle_gamma 73.55508316 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2AlCd _chemical_formula_sum 'Be2 Al1 Cd1' _cell_volume 56.74172627 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 1.95723617 -0.00000000 1.85151012 1 Be Be2 1 -0.00000000 1.95723617 1.85151012 1 Cd Cd3 1 0.00000000 -0.00000000 3.70302025 1 [/CIF]
AlBe2Cd
I4/mmm
139
tetragonal
4/mmm
4,606.784702
false
[CIF] data_TeIrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27230264 _cell_length_b 4.27230264 _cell_length_c 4.27230264 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeIrRu _chemical_formula_sum 'Te1 Ir1 Ru1' _cell_volume 55.14054212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.02097417 3.02097417 3.02097417 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.51048708 1.51048708 1.51048708 1 [/CIF]
IrRuTe
F-43m
216
cubic
-43m
12,674.871869
false
[CIF] data_K2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47474830 _cell_length_b 8.47474830 _cell_length_c 8.47474830 _cell_angle_alpha 151.05265372 _cell_angle_beta 151.05265372 _cell_angle_gamma 41.39838265 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Zn _chemical_formula_sum 'K2 Zn1' _cell_volume 142.27058718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.02604090 1 K K1 1 0.00000000 -0.00000000 5.82934908 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2Zn
I4/mmm
139
tetragonal
4/mmm
1,675.782451
false
[CIF] data_BaMnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00096545 _cell_length_b 5.00096545 _cell_length_c 5.00096545 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnCu _chemical_formula_sum 'Ba1 Mn1 Cu1' _cell_volume 88.43955809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53621658 3.53621658 3.53621658 1 Cu Cu1 1 5.30432487 5.30432487 5.30432487 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCuMn
F-43m
216
cubic
-43m
4,803.102176
false
[CIF] data_BeTcRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75338811 _cell_length_b 2.75338811 _cell_length_c 6.61535480 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTcRh2 _chemical_formula_sum 'Be1 Tc1 Rh2' _cell_volume 50.15197114 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 1.37669406 1.37669406 1.43053488 1 Rh Rh2 1 1.37669406 1.37669406 5.18481992 1 Tc Tc3 1 0.00000000 0.00000000 3.30767740 1 [/CIF]
BeRh2Tc
P4/mmm
123
tetragonal
4/mmm
10,387.625518
false
[CIF] data_LiSi2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92413452 _cell_length_b 3.92413452 _cell_length_c 4.97231614 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSi2Bi _chemical_formula_sum 'Li1 Si2 Bi1' _cell_volume 76.56785955 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96206726 1.96206726 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 0.00000000 1.96206726 2.48615807 1 Si Si3 1 1.96206726 0.00000000 2.48615807 1 [/CIF]
BiLiSi2
P4/mmm
123
tetragonal
4/mmm
5,901.545003
false
[CIF] data_MgV2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70840397 _cell_length_b 4.70840397 _cell_length_c 5.15490823 _cell_angle_alpha 92.55095008 _cell_angle_beta 92.55095008 _cell_angle_gamma 31.72063780 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgV2Re _chemical_formula_sum 'Mg1 V2 Re1' _cell_volume 60.02130998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.40447035 -0.00000000 2.59581930 1 Re Re1 1 6.76475573 -0.00000000 1.24334697 1 V V2 1 9.04970456 -0.00000000 0.02095590 1 V V3 1 2.06909341 -0.00000000 3.86395892 1 [/CIF]
MgReV2
Cm
8
monoclinic
m
8,642.665445
false
[CIF] data_La2AgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37195443 _cell_length_b 5.37195443 _cell_length_c 3.58563824 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.56917213 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2AgMo _chemical_formula_sum 'La2 Ag1 Mo1' _cell_volume 103.46886420 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.77963139 0.00000000 0.00000000 1 La La1 1 1.88981570 -1.90868286 1.79281912 1 La La2 1 1.88981570 1.90868286 1.79281912 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgLa2Mo
Cmmm
65
orthorhombic
mmm
7,729.674179
false
[CIF] data_CaRhO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91804300 _cell_length_b 3.91804300 _cell_length_c 3.91804300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaRhO3 _chemical_formula_sum 'Ca1 Rh1 O3' _cell_volume 60.14611690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 1.95902150 1.95902150 0.00000000 1 O O2 1 1.95902150 0.00000000 1.95902150 1 O O3 1 0.00000000 1.95902150 1.95902150 1 Rh Rh4 1 1.95902150 1.95902150 1.95902150 1 [/CIF]
CaO3Rh
Pm-3m
221
cubic
m-3m
5,272.702382
false
[CIF] data_ZrTiNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54276164 _cell_length_b 4.54276164 _cell_length_c 4.54276164 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiNb _chemical_formula_sum 'Zr1 Ti1 Nb1' _cell_volume 66.28951649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 3.21221756 3.21221756 3.21221756 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 4.81832634 4.81832634 4.81832634 1 [/CIF]
NbTiZr
F-43m
216
cubic
-43m
5,811.487747
false
[CIF] data_SrBe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15144979 _cell_length_b 3.15144979 _cell_length_c 6.83439601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBe2Pd _chemical_formula_sum 'Sr1 Be2 Pd1' _cell_volume 67.87673194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57572490 1.57572490 2.33067454 1 Be Be1 1 1.57572490 1.57572490 4.50372147 1 Pd Pd2 1 0.00000000 0.00000000 3.41719800 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2PdSr
P4/mmm
123
tetragonal
4/mmm
5,187.951025
false
[CIF] data_LuInB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38245478 _cell_length_b 4.38245478 _cell_length_c 4.38245478 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuInB2 _chemical_formula_sum 'Lu1 In1 B2' _cell_volume 59.51649320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.64829524 4.64829524 4.64829524 1 B B1 1 1.54943175 1.54943175 1.54943175 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Lu Lu3 1 3.09886350 3.09886350 3.09886350 1 [/CIF]
B2InLu
Fm-3m
225
cubic
m-3m
8,688.400966
false
[CIF] data_CaCd2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44325833 _cell_length_b 4.44325833 _cell_length_c 4.20840778 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCd2Re _chemical_formula_sum 'Ca1 Cd2 Re1' _cell_volume 83.08467824 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 0.00000000 2.22162916 2.10420389 1 Cd Cd2 1 2.22162916 0.00000000 2.10420389 1 Re Re3 1 2.22162916 2.22162916 0.00000000 1 [/CIF]
CaCd2Re
P4/mmm
123
tetragonal
4/mmm
9,015.87167
false
[CIF] data_LaP3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56442593 _cell_length_b 5.56442593 _cell_length_c 5.56442593 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaP3F _chemical_formula_sum 'La1 P3 F1' _cell_volume 172.29040712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 2.78221296 0.00000000 2.78221296 1 P P1 1 2.78221296 2.78221296 0.00000000 1 P P2 1 0.00000000 2.78221296 2.78221296 1 F F3 1 0.00000000 0.00000000 0.00000000 1 La La4 1 2.78221296 2.78221296 2.78221296 1 [/CIF]
FLaP3
Pm-3m
221
cubic
m-3m
2,417.458886
false
[CIF] data_K2PuAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49101791 _cell_length_b 5.49101791 _cell_length_c 5.49101791 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2PuAs _chemical_formula_sum 'K2 Pu1 As1' _cell_volume 117.06945134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 K K1 1 1.94136800 1.94136800 1.94136800 1 K K2 1 5.82410400 5.82410400 5.82410400 1 Pu Pu3 1 3.88273600 3.88273600 3.88273600 1 [/CIF]
AsK2Pu
Fm-3m
225
cubic
m-3m
5,632.812639
false
[CIF] data_TiBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68713040 _cell_length_b 6.68713040 _cell_length_c 6.68713040 _cell_angle_alpha 151.19496270 _cell_angle_beta 151.19496270 _cell_angle_gamma 41.19010582 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBe2 _chemical_formula_sum 'Ti2 Be4' _cell_volume 69.27266218 _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 Be Be0 1 0.00000000 -0.00000000 7.26907186 1 Be Be1 1 1.66330643 -0.00000000 2.12056109 1 Be Be2 1 0.00000000 -0.00000000 5.25043874 1 Be Be3 1 1.66330643 -0.00000000 4.13919421 1 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1 Ti Ti5 1 0.00000000 1.66330642 3.12987765 1 [/CIF]
Be4Ti2
I4_1/amd
141
tetragonal
4/mmm
3,158.972487
false
[CIF] data_MnBePbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65034386 _cell_length_b 4.65034386 _cell_length_c 4.65034386 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBePbAu _chemical_formula_sum 'Mn1 Be1 Pb1 Au1' _cell_volume 71.11155969 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64414484 1.64414484 1.64414484 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.93243452 4.93243452 4.93243452 1 Pb Pb3 1 3.28828968 3.28828968 3.28828968 1 [/CIF]
AuBeMnPb
F-43m
216
cubic
-43m
10,931.08112
false
[CIF] data_Zr2RuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66127609 _cell_length_b 4.66127609 _cell_length_c 3.27887448 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.74379451 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2RuRh _chemical_formula_sum 'Zr2 Ru1 Rh1' _cell_volume 71.23572529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27455674 -0.00000000 0.00000000 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.63727837 1.65867213 1.63943724 1 Zr Zr3 1 1.63727837 -1.65867213 1.63943724 1 [/CIF]
RhRuZr2
Cmmm
65
orthorhombic
mmm
9,007.717903
false
[CIF] data_TiAgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97927260 _cell_length_b 4.48020564 _cell_length_c 4.62524625 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAgOs2 _chemical_formula_sum 'Ti1 Ag1 Os2' _cell_volume 61.73664870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48963630 0.00000000 2.31262313 1 Os Os1 1 1.48963630 2.24010282 0.00000000 1 Os Os2 1 0.00000000 2.24010282 2.31262313 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgOs2Ti
Pmmm
47
orthorhombic
mmm
14,422.115481
false
[CIF] data_Ta4CdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58790775 _cell_length_b 5.58790775 _cell_length_c 5.58790775 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4CdCl _chemical_formula_sum 'Ta4 Cd1 Cl1' _cell_volume 123.37656785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.92687119 5.92687119 5.92687119 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.92272071 4.92272071 2.97977421 1 Ta Ta3 1 4.92272071 2.97977421 4.92272071 1 Ta Ta4 1 2.97977421 4.92272071 4.92272071 1 Ta Ta5 1 2.97977421 2.97977421 2.97977421 1 [/CIF]
CdClTa4
F-43m
216
cubic
-43m
11,731.709422
false
[CIF] data_YPt2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85542390 _cell_length_b 5.85542390 _cell_length_c 5.85542390 _cell_angle_alpha 147.49123675 _cell_angle_beta 134.74717286 _cell_angle_gamma 56.81877913 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPt2Cl _chemical_formula_sum 'Y1 Pt2 Cl1' _cell_volume 76.06032254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 2.25270387 2.48922185 1 Pt Pt2 1 1.63894739 -0.00000000 2.66103696 1 Y Y3 1 0.00000000 0.00000000 5.15025881 1 [/CIF]
ClPt2Y
Immm
71
orthorhombic
mmm
11,233.28539
false
[CIF] data_CaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54762607 _cell_length_b 5.54762607 _cell_length_c 5.54762607 _cell_angle_alpha 140.58417739 _cell_angle_beta 140.58417739 _cell_angle_gamma 56.96737358 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAg2 _chemical_formula_sum 'Ca1 Ag2' _cell_volume 68.26330776 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 -0.00000000 6.61983430 1 Ag Ag1 1 0.00000000 -0.00000000 3.13237012 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2Ca
I4/mmm
139
tetragonal
4/mmm
6,223.174626
false
[CIF] data_ZrFe6Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.55660591 _cell_length_b 6.55660591 _cell_length_c 11.54727040 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 122.92487757 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFe6Mo _chemical_formula_sum 'Zr4 Fe24 Mo4' _cell_volume 416.67568111 _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 Fe Fe0 1 3.13231869 2.87185349 8.60833339 1 Fe Fe1 1 4.63344988 1.41586834 10.03413606 1 Fe Fe2 1 1.63118750 -1.41586834 10.03413606 1 Fe Fe3 1 3.13231869 -2.87185349 8.60833339 1 Fe Fe4 1 1.63118750 1.41586834 10.03413606 1 Fe Fe5 1 4.63344988 -1.41586834 10.03413606 1 Fe Fe6 1 0.00000000 0.00000000 5.77363520 1 Fe Fe7 1 1.63079781 -1.46613849 7.15874714 1 Fe Fe8 1 1.63079781 1.46613849 7.15874714 1 Fe Fe9 1 3.13231869 2.87185349 2.93893701 1 Fe Fe10 1 4.63383957 1.46613849 4.38852326 1 Fe Fe11 1 1.63079781 -1.46613849 4.38852326 1 Fe Fe12 1 3.13231869 -2.87185349 2.93893701 1 Fe Fe13 1 1.63079781 1.46613849 4.38852326 1 Fe Fe14 1 4.63383957 -1.46613849 4.38852326 1 Fe Fe15 1 0.00000000 0.00000000 0.00000000 1 Fe Fe16 1 1.63118750 -1.41586834 1.51313434 1 Fe Fe17 1 1.63118750 1.41586834 1.51313434 1 Fe Fe18 1 3.13231869 0.00000000 5.77363520 1 Fe Fe19 1 4.63383957 -1.46613849 7.15874714 1 Fe Fe20 1 4.63383957 1.46613849 7.15874714 1 Fe Fe21 1 3.13231869 0.00000000 0.00000000 1 Fe Fe22 1 4.63344988 -1.41586834 1.51313434 1 Fe Fe23 1 4.63344988 1.41586834 1.51313434 1 Mo Mo24 1 3.13231869 2.91614344 5.77363520 1 Mo Mo25 1 3.13231869 -2.91614344 5.77363520 1 Mo Mo26 1 3.13231869 0.00000000 8.65737464 1 Mo Mo27 1 3.13231869 0.00000000 2.88989576 1 Zr Zr28 1 3.13231869 2.91229668 0.00000000 1 Zr Zr29 1 3.13231869 -2.91229668 0.00000000 1 Zr Zr30 1 0.00000000 0.00000000 8.63485851 1 Zr Zr31 1 0.00000000 0.00000000 2.91241189 1 [/CIF]
Fe24Mo4Zr4
Cmmm
65
orthorhombic
mmm
8,325.162317
false
[CIF] data_TiZnAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45566325 _cell_length_b 4.45566325 _cell_length_c 4.45566325 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZnAgRu _chemical_formula_sum 'Ti1 Zn1 Ag1 Ru1' _cell_volume 62.54924668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15062970 3.15062970 3.15062970 1 Ru Ru1 1 1.57531485 1.57531485 1.57531485 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 4.72594455 4.72594455 4.72594455 1 [/CIF]
AgRuTiZn
F-43m
216
cubic
-43m
8,553.278251
false
[CIF] data_LaInSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14922675 _cell_length_b 5.14922675 _cell_length_c 5.14922675 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaInSe _chemical_formula_sum 'La1 In1 Se1' _cell_volume 96.54083512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.46157973 5.46157972 5.46157973 1 La La1 1 3.64105315 3.64105315 3.64105315 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InLaSe
F-43m
216
cubic
-43m
5,722.282162
false
[CIF] data_NaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86547990 _cell_length_b 4.85691324 _cell_length_c 6.00483778 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAu _chemical_formula_sum 'Na2 Au2' _cell_volume 83.57165285 _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 Au Au0 1 0.00000000 0.00000000 3.91082096 1 Au Au1 1 1.43273995 2.42845662 2.09401682 1 Na Na2 1 0.00000000 0.00000000 0.96854250 1 Na Na3 1 1.43273995 2.42845662 5.03629528 1 [/CIF]
Au2Na2
Pmmn
59
orthorhombic
mmm
8,740.908674
false
[CIF] data_Na2WSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06743222 _cell_length_b 6.06743222 _cell_length_c 6.06743222 _cell_angle_alpha 150.03438657 _cell_angle_beta 137.42772579 _cell_angle_gamma 52.93290232 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2WSe _chemical_formula_sum 'Na2 W1 Se1' _cell_volume 75.06538569 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56860827 0.00000000 2.45460310 1 Na Na1 1 0.00000000 2.20263440 2.97693476 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 5.43153786 1 [/CIF]
Na2SeW
Immm
71
orthorhombic
mmm
6,830.584856
false
[CIF] data_TaMnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72188217 _cell_length_b 3.72188217 _cell_length_c 6.29281016 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMnPb2 _chemical_formula_sum 'Ta1 Mn1 Pb2' _cell_volume 87.17056680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86094109 1.86094109 1.57247465 1 Pb Pb2 1 1.86094109 1.86094109 4.72033551 1 Ta Ta3 1 0.00000000 0.00000000 3.14640508 1 [/CIF]
MnPb2Ta
P4/mmm
123
tetragonal
4/mmm
12,387.497553
false
[CIF] data_La2TlCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28999014 _cell_length_b 5.28999014 _cell_length_c 3.91036160 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TlCo _chemical_formula_sum 'La2 Tl1 Co1' _cell_volume 109.42754213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 0.00000000 2.64499507 1.95518080 1 La La2 1 2.64499507 0.00000000 1.95518080 1 Tl Tl3 1 2.64499507 2.64499507 0.00000000 1 [/CIF]
CoLa2Tl
P4/mmm
123
tetragonal
4/mmm
8,211.571061
false
[CIF] data_BaZnOsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16268850 _cell_length_b 5.16268850 _cell_length_c 5.16268850 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZnOsPb _chemical_formula_sum 'Ba1 Zn1 Os1 Pb1' _cell_volume 97.29998398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82528603 1.82528603 1.82528603 1 Os Os1 1 5.47585808 5.47585808 5.47585808 1 Pb Pb2 1 3.65057205 3.65057205 3.65057205 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaOsPbZn
F-43m
216
cubic
-43m
10,242.046227
false
[CIF] data_KPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00301813 _cell_length_b 3.00301813 _cell_length_c 5.36381800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPt _chemical_formula_sum 'K1 Pt1' _cell_volume 41.89098498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.50150908 0.86689665 2.68190900 1 [/CIF]
KPt
P-6m2
187
hexagonal
-6m2
9,282.925701
false
[CIF] data_Ba2ZnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48167519 _cell_length_b 5.48167519 _cell_length_c 5.48167519 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ZnOs _chemical_formula_sum 'Ba2 Zn1 Os1' _cell_volume 116.47290233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93806485 1.93806485 1.93806485 1 Ba Ba1 1 5.81419455 5.81419455 5.81419455 1 Os Os2 1 3.87612970 3.87612970 3.87612970 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2OsZn
Fm-3m
225
cubic
m-3m
7,559.905093
false
[CIF] data_SrCaZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01370932 _cell_length_b 5.01370932 _cell_length_c 5.01370932 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaZnRu _chemical_formula_sum 'Sr1 Ca1 Zn1 Ru1' _cell_volume 89.11738949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 3.54522786 3.54522786 3.54522786 1 Sr Sr2 1 1.77261393 1.77261393 1.77261393 1 Zn Zn3 1 5.31784179 5.31784179 5.31784179 1 [/CIF]
CaRuSrZn
F-43m
216
cubic
-43m
5,480.908363
false
[CIF] data_GeMoAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66271946 _cell_length_b 5.66271946 _cell_length_c 5.66271946 _cell_angle_alpha 151.16145405 _cell_angle_beta 125.92341361 _cell_angle_gamma 62.43945249 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeMoAu2 _chemical_formula_sum 'Ge1 Mo1 Au2' _cell_volume 70.31343228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.64002543 1 Au Au1 1 1.41010595 0.00000000 2.52756429 1 Ge Ge2 1 0.00000000 0.00000000 4.89303158 1 Mo Mo3 1 0.00000000 2.57419240 2.31008904 1 [/CIF]
Au2GeMo
Imm2
44
orthorhombic
mm2
13,284.918993
false
[CIF] data_HfNbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85965961 _cell_length_b 2.85965961 _cell_length_c 9.31660771 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.52111472 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNbW2 _chemical_formula_sum 'Hf1 Nb1 W2' _cell_volume 71.35333006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62956375 0.00000000 4.72416100 1 Nb Nb1 1 0.00000000 0.00000000 2.19572534 1 W W2 1 1.62956375 0.00000000 9.25959426 1 W W3 1 0.00000000 0.00000000 7.11203858 1 [/CIF]
HfNbW2
Cmm2
35
orthorhombic
mm2
14,872.62465
false
[CIF] data_Nb2BiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07164251 _cell_length_b 3.07164251 _cell_length_c 9.29524717 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.39047539 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2BiAu _chemical_formula_sum 'Nb2 Bi1 Au1' _cell_volume 84.94889368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.92857875 1 Bi Bi1 1 1.88283309 0.00000000 2.19366550 1 Nb Nb2 1 0.00000000 0.00000000 9.12126282 1 Nb Nb3 1 1.88283309 0.00000000 6.99461085 1 [/CIF]
AuBiNb2
Cmm2
35
orthorhombic
mm2
11,567.427255
false
[CIF] data_Ni4Pd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96814858 _cell_length_b 5.96814858 _cell_length_c 5.96814858 _cell_angle_alpha 95.90866235 _cell_angle_beta 95.90866235 _cell_angle_gamma 142.57166548 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4Pd5 _chemical_formula_sum 'Ni4 Pd5' _cell_volume 122.36781278 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.77964239 -0.00000000 1 Ni Ni1 1 0.00000000 5.21436717 0.00000000 1 Ni Ni2 1 2.77964239 0.00000000 -0.00000000 1 Ni Ni3 1 5.21436717 0.00000000 -0.00000000 1 Pd Pd4 1 0.00000000 0.00000000 0.00000000 1 Pd Pd5 1 2.63803603 2.63803603 -0.00000000 1 Pd Pd6 1 -1.35896875 1.35896875 1.91486372 1 Pd Pd7 1 1.35896875 -1.35896875 1.91486372 1 Pd Pd8 1 1.35896875 1.35896875 1.91486372 1 [/CIF]
Ni4Pd5
I4/mmm
139
tetragonal
4/mmm
10,406.52393
false
[CIF] data_GaFeTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67056423 _cell_length_b 8.67056423 _cell_length_c 8.67056423 _cell_angle_alpha 18.09579919 _cell_angle_beta 18.09579919 _cell_angle_gamma 18.09579919 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaFeTc2 _chemical_formula_sum 'Ga1 Fe1 Tc2' _cell_volume 54.91473948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 0.00000000 0.00000000 12.78961939 1 Tc Tc2 1 -0.00000000 0.00000000 19.07298725 1 Tc Tc3 1 -0.00000000 0.00000000 6.50625153 1 [/CIF]
FeGaTc2
R-3m
166
trigonal
-3m
9,778.536559
false
[CIF] data_Tl3FeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02629304 _cell_length_b 5.02629304 _cell_length_c 5.02629304 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl3FeIr _chemical_formula_sum 'Tl3 Fe1 Ir1' _cell_volume 126.98236604 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tl Tl0 1 0.00000000 2.51314652 0.00000000 1 Tl Tl1 1 0.00000000 0.00000000 2.51314652 1 Tl Tl2 1 2.51314652 0.00000000 0.00000000 1 Ir Ir3 1 2.51314652 2.51314652 2.51314652 1 Fe Fe4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeIrTl3
Pm-3m
221
cubic
m-3m
11,262.004711
false
[CIF] data_AlCuRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14276216 _cell_length_b 5.14276216 _cell_length_c 5.14276216 _cell_angle_alpha 146.71529687 _cell_angle_beta 146.71529687 _cell_angle_gamma 47.78551741 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCuRe _chemical_formula_sum 'Al1 Cu1 Re1' _cell_volume 40.80152223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.33675162 1 Cu Cu1 1 0.00000000 -0.00000000 3.20389332 1 Re Re2 1 0.00000000 -0.00000000 6.26757092 1 [/CIF]
AlCuRe
I4mm
107
tetragonal
4mm
11,262.533537
false
[CIF] data_Zr5Cu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95570635 _cell_length_b 2.95570635 _cell_length_c 16.72000000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Cu3 _chemical_formula_sum 'Zr5 Cu3' _cell_volume 146.06926400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47785317 1.47785317 0.00000000 1 Cu Cu1 1 0.00000000 0.00000000 2.09000000 1 Cu Cu2 1 0.00000000 0.00000000 6.27000000 1 Zr Zr3 1 1.47785317 1.47785317 4.18000000 1 Zr Zr4 1 1.47785317 1.47785317 8.36000000 1 Zr Zr5 1 0.00000000 0.00000000 10.45000000 1 Zr Zr6 1 1.47785317 1.47785317 12.54000000 1 Zr Zr7 1 0.00000000 0.00000000 14.63000000 1 [/CIF]
Cu3Zr5
P4mm
99
tetragonal
4mm
7,352.449764
false
[CIF] data_TiSe7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08684420 _cell_length_b 6.08684420 _cell_length_c 6.08684420 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSe7 _chemical_formula_sum 'Ti1 Se7' _cell_volume 159.46359805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15202441 4.30404881 2.15202440 1 Se Se1 1 4.30404881 2.15202441 2.15202440 1 Se Se2 1 2.15202440 2.15202440 0.00000000 1 Se Se3 1 2.15202441 0.00000000 2.15202441 1 Se Se4 1 0.00000000 2.15202441 2.15202441 1 Se Se5 1 2.15202441 2.15202440 4.30404881 1 Se Se6 1 4.30404881 4.30404881 4.30404881 1 Ti Ti7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Se7Ti
Fm-3m
225
cubic
m-3m
6,254.080483
false
[CIF] data_Nb5Os24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.30930156 _cell_length_b 8.30930156 _cell_length_c 8.30930156 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb5Os24 _chemical_formula_sum 'Nb5 Os24' _cell_volume 441.64332451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 3.05711259 -3.05711259 3.05711259 1 Nb Nb1 1 -3.05711259 3.05711259 3.05711259 1 Nb Nb2 1 3.05711259 3.05711259 -3.05711259 1 Nb Nb3 1 1.74026490 1.74026490 1.74026490 1 Nb Nb4 1 0.00000000 0.00000000 0.00000000 1 Os Os5 1 0.86741709 -0.86741709 2.69757716 1 Os Os6 1 -0.86741709 0.86741709 2.69757716 1 Os Os7 1 0.86741709 0.86741709 6.89717782 1 Os Os8 1 3.92996040 3.92996040 2.09980033 1 Os Os9 1 0.86741709 6.89717782 0.86741709 1 Os Os10 1 3.92996040 2.09980033 3.92996040 1 Os Os11 1 -0.86741709 2.69757716 0.86741709 1 Os Os12 1 0.86741709 2.69757716 -0.86741709 1 Os Os13 1 2.69757716 -0.86741709 0.86741709 1 Os Os14 1 2.69757716 0.86741709 -0.86741709 1 Os Os15 1 2.09980033 3.92996040 3.92996040 1 Os Os16 1 6.89717782 0.86741709 0.86741709 1 Os Os17 1 -1.38675287 1.38675287 5.15636035 1 Os Os18 1 1.38675287 -1.38675287 5.15636035 1 Os Os19 1 3.41062462 3.41062462 -0.35898286 1 Os Os20 1 1.38675287 1.38675287 4.43839463 1 Os Os21 1 3.41062462 -0.35898286 3.41062462 1 Os Os22 1 1.38675287 4.43839463 1.38675287 1 Os Os23 1 1.38675287 5.15636035 -1.38675287 1 Os Os24 1 -1.38675287 5.15636035 1.38675287 1 Os Os25 1 5.15636035 1.38675287 -1.38675287 1 Os Os26 1 5.15636035 -1.38675287 1.38675287 1 Os Os27 1 4.43839463 1.38675287 1.38675287 1 Os Os28 1 -0.35898286 3.41062462 3.41062462 1 [/CIF]
Nb5Os24
I-43m
217
cubic
-43m
18,912.541464
false