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_YbNiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00513241 _cell_length_b 4.00513241 _cell_length_c 16.18999300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbNiAs _chemical_formula_sum 'Yb4 Ni4 As4' _cell_volume 224.91118264 _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 Yb Yb0 1 0.00000000 0.00000000 12.14249475 1 Yb Yb1 1 0.00000000 0.00000000 4.04749825 1 Yb Yb2 1 0.00000000 0.00000000 8.09499650 1 Yb Yb3 1 0.00000000 0.00000000 0.00000000 1 Ni Ni4 1 2.00256620 1.15618214 10.12698633 1 Ni Ni5 1 -0.00000000 2.31236427 6.06300667 1 Ni Ni6 1 -0.00000000 2.31236427 2.03198983 1 Ni Ni7 1 2.00256620 1.15618214 14.15800317 1 As As8 1 2.00256620 1.15618214 2.02834708 1 As As9 1 -0.00000000 2.31236427 14.16164592 1 As As10 1 -0.00000000 2.31236427 10.12334358 1 As As11 1 2.00256620 1.15618214 6.06664942 1 [/CIF]
As4Ni4Yb4
P6_3/mmc
194
hexagonal
6/mmm
9,056.656311
false
[CIF] data_MgCuRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28687943 _cell_length_b 4.28687943 _cell_length_c 3.04218890 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCuRh2 _chemical_formula_sum 'Mg1 Cu1 Rh2' _cell_volume 55.90732530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14343971 2.14343971 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 0.00000000 2.14343971 1.52109445 1 Rh Rh3 1 2.14343971 0.00000000 1.52109445 1 [/CIF]
CuMgRh2
P4/mmm
123
tetragonal
4/mmm
8,722.242045
false
[CIF] data_BaY2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57287110 _cell_length_b 3.57287110 _cell_length_c 9.85843810 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Ir _chemical_formula_sum 'Ba1 Y2 Ir1' _cell_volume 125.84698368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 0.00000000 0.00000000 4.92921905 1 Y Y2 1 1.78643555 1.78643555 6.51460437 1 Y Y3 1 1.78643555 1.78643555 3.34383374 1 [/CIF]
BaIrY2
P4/mmm
123
tetragonal
4/mmm
6,694.715749
false
[CIF] data_La2HgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95326418 _cell_length_b 5.31233295 _cell_length_c 5.72209341 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2HgTe _chemical_formula_sum 'La2 Hg1 Te1' _cell_volume 120.17000164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.65616648 2.86104671 1 La La1 1 1.97663209 2.65616648 0.00000000 1 La La2 1 1.97663209 0.00000000 2.86104671 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgLa2Te
Pmmm
47
orthorhombic
mmm
8,373.872194
false
[CIF] data_CaFeAgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90632731 _cell_length_b 4.90632731 _cell_length_c 4.90632731 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaFeAgHg _chemical_formula_sum 'Ca1 Fe1 Ag1 Hg1' _cell_volume 83.51309016 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.46929731 3.46929731 3.46929731 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 5.20394596 5.20394597 5.20394597 1 Hg Hg3 1 1.73464865 1.73464865 1.73464865 1 [/CIF]
AgCaFeHg
F-43m
216
cubic
-43m
8,040.54525
false
[CIF] data_Nb2WBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20186350 _cell_length_b 3.20186350 _cell_length_c 7.51433965 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2WBr _chemical_formula_sum 'Nb2 W1 Br1' _cell_volume 77.03648313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 1.60093175 1.60093175 2.20637063 1 Nb Nb2 1 1.60093175 1.60093175 5.30796902 1 W W3 1 0.00000000 0.00000000 3.75716983 1 [/CIF]
BrNb2W
P4/mmm
123
tetragonal
4/mmm
9,690.299952
false
[CIF] data_Ba2SiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73799417 _cell_length_b 3.73799417 _cell_length_c 9.18494680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SiGe _chemical_formula_sum 'Ba2 Si1 Ge1' _cell_volume 128.33759147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86899708 1.86899708 2.26184798 1 Ba Ba1 1 1.86899708 1.86899708 6.92309882 1 Ge Ge2 1 0.00000000 0.00000000 4.59247340 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2GeSi
P4/mmm
123
tetragonal
4/mmm
4,856.973841
false
[CIF] data_CdReS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89958352 _cell_length_b 4.89958352 _cell_length_c 4.89958352 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdReS3 _chemical_formula_sum 'Cd1 Re1 S3' _cell_volume 117.61900350 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44979176 2.44979176 2.44979176 1 S S1 1 0.00000000 2.44979176 0.00000000 1 S S2 1 0.00000000 0.00000000 2.44979176 1 S S3 1 2.44979176 0.00000000 0.00000000 1 Cd Cd4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdReS3
Pm-3m
221
cubic
m-3m
5,573.949711
false
[CIF] data_CrAs3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62587475 _cell_length_b 4.62587475 _cell_length_c 4.62587475 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAs3W _chemical_formula_sum 'Cr1 As3 W1' _cell_volume 98.98778559 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 As As1 1 0.00000000 2.31293738 0.00000000 1 As As2 1 0.00000000 0.00000000 2.31293738 1 As As3 1 2.31293738 0.00000000 0.00000000 1 W W4 1 2.31293738 2.31293738 2.31293738 1 [/CIF]
As3CrW
Pm-3m
221
cubic
m-3m
7,726.668336
false
[CIF] data_CdTcPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63671593 _cell_length_b 4.63671593 _cell_length_c 4.63671593 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdTcPb _chemical_formula_sum 'Cd1 Tc1 Pb1' _cell_volume 70.48820837 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.27865328 3.27865328 3.27865328 1 Pb Pb1 1 4.91797992 4.91797992 4.91797992 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdPbTc
F-43m
216
cubic
-43m
9,859.296706
false
[CIF] data_ThPd2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71120867 _cell_length_b 4.71120867 _cell_length_c 4.71120867 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThPd2Rh _chemical_formula_sum 'Th1 Pd2 Rh1' _cell_volume 73.94043903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.99699140 4.99699140 4.99699140 1 Pd Pd1 1 1.66566380 1.66566380 1.66566380 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Th Th3 1 3.33132760 3.33132760 3.33132760 1 [/CIF]
Pd2RhTh
Fm-3m
225
cubic
m-3m
12,302.009744
false
[CIF] data_NaBiIrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61753958 _cell_length_b 4.61753958 _cell_length_c 4.61753958 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBiIrRu _chemical_formula_sum 'Na1 Bi1 Ir1 Ru1' _cell_volume 69.61725301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.26509355 3.26509355 3.26509355 1 Ir Ir1 1 1.63254678 1.63254678 1.63254678 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 4.89764033 4.89764033 4.89764033 1 [/CIF]
BiIrNaRu
F-43m
216
cubic
-43m
12,528.647885
false
[CIF] data_MgAl2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17429655 _cell_length_b 4.15431296 _cell_length_c 6.06694941 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.45983062 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAl2Hg _chemical_formula_sum 'Mg1 Al2 Hg1' _cell_volume 79.13447644 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.11893740 2.07715648 0.15675892 1 Al Al1 1 1.75385800 0.00000000 1.28702132 1 Hg Hg2 1 2.36248066 2.07715648 3.12030512 1 Mg Mg3 1 0.77449919 0.00000000 4.43731929 1 [/CIF]
Al2HgMg
Pm
6
monoclinic
m
5,851.491689
false
[CIF] data_ZnCd2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69150239 _cell_length_b 4.74256617 _cell_length_c 5.88642796 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCd2Br _chemical_formula_sum 'Zn1 Cd2 Br1' _cell_volume 103.05483833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84575120 0.00000000 2.94321398 1 Cd Cd1 1 1.84575120 2.37128308 0.00000000 1 Cd Cd2 1 0.00000000 2.37128308 2.94321398 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrCd2Zn
Pmmm
47
orthorhombic
mmm
5,963.577079
false
[CIF] data_HgW3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62312448 _cell_length_b 4.62312448 _cell_length_c 4.62312448 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgW3Br _chemical_formula_sum 'Hg1 W3 Br1' _cell_volume 98.81133379 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.31156224 2.31156224 2.31156224 1 W W2 1 0.00000000 2.31156224 0.00000000 1 W W3 1 0.00000000 0.00000000 2.31156224 1 W W4 1 2.31156224 0.00000000 0.00000000 1 [/CIF]
BrHgW3
Pm-3m
221
cubic
m-3m
13,982.118224
false
[CIF] data_HfAl3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44550772 _cell_length_b 4.44550772 _cell_length_c 4.44550772 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAl3Ni _chemical_formula_sum 'Hf1 Al3 Ni1' _cell_volume 87.85451920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 2.22275386 2.22275386 2.22275386 1 Al Al2 1 0.00000000 2.22275386 0.00000000 1 Al Al3 1 0.00000000 0.00000000 2.22275386 1 Al Al4 1 2.22275386 0.00000000 0.00000000 1 [/CIF]
Al3HfNi
Pm-3m
221
cubic
m-3m
6,012.940521
false
[CIF] data_TaCuAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52592339 _cell_length_b 4.52592339 _cell_length_c 4.52592339 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCuAg2 _chemical_formula_sum 'Ta1 Cu1 Ag2' _cell_volume 65.55511707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.80046668 4.80046668 4.80046668 1 Ag Ag1 1 1.60015556 1.60015556 1.60015556 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.20031112 3.20031112 3.20031112 1 [/CIF]
Ag2CuTa
Fm-3m
225
cubic
m-3m
11,657.829224
false
[CIF] data_Be2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60531193 _cell_length_b 4.60531193 _cell_length_c 4.60531193 _cell_angle_alpha 150.82023068 _cell_angle_beta 150.82023068 _cell_angle_gamma 41.73871057 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2C _chemical_formula_sum 'Be2 C1' _cell_volume 23.16428571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.44258781 1 Be Be1 1 -0.00000000 0.00000000 3.16377439 1 C C2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CBe2
I4/mmm
139
tetragonal
4/mmm
2,153.072958
false
[CIF] data_La2SbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41492695 _cell_length_b 4.41492695 _cell_length_c 6.36481371 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.69931024 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2SbSe _chemical_formula_sum 'La2 Sb1 Se1' _cell_volume 124.00571589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 3.07518882 0.00000000 0.76976025 1 La La1 1 0.00000000 0.00000000 4.01366005 1 Sb Sb2 1 3.07518882 0.00000000 3.95089103 1 Se Se3 1 0.00000000 0.00000000 0.81290917 1 [/CIF]
La2SbSe
Cmm2
35
orthorhombic
mm2
6,407.924947
false
[CIF] data_Ti2BPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19298677 _cell_length_b 3.19298677 _cell_length_c 7.17558453 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2BPb _chemical_formula_sum 'Ti2 B1 Pb1' _cell_volume 73.15626476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.57827284 1 Pb Pb1 1 1.59649339 1.59649339 5.41646702 1 Ti Ti2 1 0.00000000 0.00000000 0.41074495 1 Ti Ti3 1 1.59649339 1.59649339 2.35789198 1 [/CIF]
BPbTi2
P4mm
99
tetragonal
4mm
7,121.547705
false
[CIF] data_CdFe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77340029 _cell_length_b 2.77340029 _cell_length_c 8.60946531 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFe3 _chemical_formula_sum 'Cd1 Fe3' _cell_volume 57.34980223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 4.30473265 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 0.00000000 1.60122340 6.71620635 1 Fe Fe3 1 -0.00000000 1.60122340 1.89325896 1 [/CIF]
CdFe3
P-6m2
187
hexagonal
-6m2
8,105.717022
false
[CIF] data_SrLaTaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42258829 _cell_length_b 5.42258829 _cell_length_c 5.42258829 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaTaPb _chemical_formula_sum 'Sr1 La1 Ta1 Pb1' _cell_volume 112.74697467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.75152343 5.75152343 5.75152343 1 Pb Pb1 1 3.83434895 3.83434895 3.83434895 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.91717448 1.91717448 1.91717448 1 [/CIF]
LaPbSrTa
F-43m
216
cubic
-43m
9,052.917951
false
[CIF] data_Cs2LaHf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18314676 _cell_length_b 6.18314676 _cell_length_c 6.18314676 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2LaHf _chemical_formula_sum 'Cs2 La1 Hf1' _cell_volume 167.15280376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 6.55821750 6.55821750 6.55821750 1 Cs Cs1 1 2.18607250 2.18607250 2.18607250 1 Hf Hf2 1 4.37214500 4.37214500 4.37214500 1 La La3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cs2HfLa
Fm-3m
225
cubic
m-3m
5,793.722545
false
[CIF] data_GePt2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45666357 _cell_length_b 4.51117831 _cell_length_c 4.89743918 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GePt2Pb _chemical_formula_sum 'Ge1 Pt2 Pb1' _cell_volume 76.36883357 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pb Pb1 1 0.00000000 2.25558916 2.44871959 1 Pt Pt2 1 1.72833178 2.25558916 0.00000000 1 Pt Pt3 1 1.72833178 0.00000000 2.44871959 1 [/CIF]
GePbPt2
Pmmm
47
orthorhombic
mmm
14,568.43593
false
[CIF] data_MgTl2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97732603 _cell_length_b 4.97732603 _cell_length_c 4.97732603 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTl2Pt _chemical_formula_sum 'Mg1 Tl2 Pt1' _cell_volume 87.19132366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 3.51950099 3.51950099 3.51950099 1 Tl Tl2 1 5.27925148 5.27925148 5.27925148 1 Tl Tl3 1 1.75975049 1.75975050 1.75975050 1 [/CIF]
MgPtTl2
Fm-3m
225
cubic
m-3m
11,963.081531
false
[CIF] data_HfFeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46134421 _cell_length_b 4.46134421 _cell_length_c 3.20699253 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFeAs2 _chemical_formula_sum 'Hf1 Fe1 As2' _cell_volume 63.83067133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.23067210 0.00000000 1.60349626 1 As As1 1 0.00000000 2.23067210 1.60349626 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Hf Hf3 1 2.23067210 2.23067210 0.00000000 1 [/CIF]
As2FeHf
P4/mmm
123
tetragonal
4/mmm
9,994.376307
false
[CIF] data_TaRePtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46991530 _cell_length_b 4.46991530 _cell_length_c 4.46991530 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRePtRh _chemical_formula_sum 'Ta1 Re1 Pt1 Rh1' _cell_volume 63.15138557 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 4.74106113 4.74106113 4.74106113 1 Re Re1 1 3.16070742 3.16070742 3.16070742 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.58035371 1.58035371 1.58035371 1 [/CIF]
PtReRhTa
F-43m
216
cubic
-43m
17,489.691128
false
[CIF] data_KMg2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66902420 _cell_length_b 5.90521887 _cell_length_c 6.27907740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMg2Cl _chemical_formula_sum 'K1 Mg2 Cl1' _cell_volume 136.04494569 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 0.00000000 2.95260943 0.00000000 1 Mg Mg2 1 1.83451210 1.41500500 3.13953870 1 Mg Mg3 1 1.83451210 4.49021387 3.13953870 1 [/CIF]
ClKMg2
Pmmm
47
orthorhombic
mmm
1,503.283706
false
[CIF] data_InHgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58524413 _cell_length_b 4.58524413 _cell_length_c 4.58524413 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InHgPd _chemical_formula_sum 'In1 Hg1 Pd1' _cell_volume 68.16671943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86338583 4.86338583 4.86338583 1 In In1 1 1.62112861 1.62112861 1.62112861 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgInPd
F-43m
216
cubic
-43m
10,275.716351
false
[CIF] data_LiLa2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35461592 _cell_length_b 6.35461592 _cell_length_c 6.35461592 _cell_angle_alpha 146.91829755 _cell_angle_beta 133.87181347 _cell_angle_gamma 57.93098788 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLa2Cu _chemical_formula_sum 'Li1 La2 Cu1' _cell_volume 100.16098497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.48948812 2.47713400 1 La La1 1 0.00000000 0.00000000 10.64619242 1 La La2 1 1.80915216 -0.00000000 2.93805514 1 Li Li3 1 0.00000000 -0.00000000 6.17752518 1 [/CIF]
CuLa2Li
Imm2
44
orthorhombic
mm2
5,774.450331
false
[CIF] data_RbZn3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95630345 _cell_length_b 4.95630345 _cell_length_c 4.95630345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbZn3Rh _chemical_formula_sum 'Rb1 Zn3 Rh1' _cell_volume 121.75131614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 2.47815173 0.00000000 2.47815173 1 Zn Zn1 1 2.47815173 2.47815173 0.00000000 1 Zn Zn2 1 0.00000000 2.47815173 2.47815173 1 Rh Rh3 1 2.47815173 2.47815173 2.47815173 1 Rb Rb4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RbRhZn3
Pm-3m
221
cubic
m-3m
5,244.291204
false
[CIF] data_Sc2NiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22674493 _cell_length_b 3.22674493 _cell_length_c 6.31193361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2NiOs _chemical_formula_sum 'Sc2 Ni1 Os1' _cell_volume 65.71911326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 0.00000000 0.00000000 3.15596680 1 Sc Sc2 1 1.61337247 1.61337247 4.71942897 1 Sc Sc3 1 1.61337247 1.61337247 1.59250464 1 [/CIF]
NiOsSc2
P4/mmm
123
tetragonal
4/mmm
8,561.422981
false
[CIF] data_Ba3InB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91988010 _cell_length_b 5.91988010 _cell_length_c 5.91988010 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3InB _chemical_formula_sum 'Ba3 In1 B1' _cell_volume 207.46208207 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 0.00000000 2.95994005 0.00000000 1 Ba Ba2 1 0.00000000 0.00000000 2.95994005 1 Ba Ba3 1 2.95994005 0.00000000 0.00000000 1 In In4 1 2.95994005 2.95994005 2.95994005 1 [/CIF]
BBa3In
Pm-3m
221
cubic
m-3m
4,303.062992
false
[CIF] data_GaPBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38625277 _cell_length_b 6.38625277 _cell_length_c 6.38625277 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaPBr4 _chemical_formula_sum 'Ga1 P1 Br4' _cell_volume 184.17187703 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 5.64668644 5.64668644 3.38483884 1 Br Br1 1 5.64668644 3.38483884 5.64668644 1 Br Br2 1 3.38483884 5.64668644 5.64668644 1 Br Br3 1 3.38483884 3.38483884 3.38483884 1 Ga Ga4 1 6.77364396 6.77364396 6.77364396 1 P P5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br4GaP
F-43m
216
cubic
-43m
3,789.643526
false
[CIF] data_VFeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32802553 _cell_length_b 5.32802553 _cell_length_c 5.32802553 _cell_angle_alpha 141.41947567 _cell_angle_beta 141.41947567 _cell_angle_gamma 55.70423504 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFeAs2 _chemical_formula_sum 'V1 Fe1 As2' _cell_volume 58.37771026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76013445 -0.00000000 2.35540387 1 As As1 1 0.00000000 -0.00000000 4.71080773 1 Fe Fe2 1 -0.00000000 1.76013445 2.35540387 1 V V3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
As2FeV
I-4m2
119
tetragonal
-42m
7,299.766308
false
[CIF] data_MgMnOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67711281 _cell_length_b 2.67711281 _cell_length_c 8.78972789 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.02413844 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMnOs2 _chemical_formula_sum 'Mg1 Mn1 Os2' _cell_volume 57.08199200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 0.00000000 0.00000000 4.39486394 1 Os Os2 1 1.43793602 0.00000000 6.44992368 1 Os Os3 1 1.43793602 0.00000000 2.33980421 1 [/CIF]
MgMnOs2
Cmmm
65
orthorhombic
mmm
13,372.95421
false
[CIF] data_ZrBiMoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72662581 _cell_length_b 4.72662581 _cell_length_c 4.72662581 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBiMoOs _chemical_formula_sum 'Zr1 Bi1 Mo1 Os1' _cell_volume 74.66871331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.34222916 3.34222916 3.34222916 1 Mo Mo1 1 5.01334374 5.01334374 5.01334374 1 Os Os2 1 1.67111458 1.67111458 1.67111458 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiMoOsZr
F-43m
216
cubic
-43m
13,040.680179
false
[CIF] data_NiBiPtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59051795 _cell_length_b 4.59051795 _cell_length_c 4.59051795 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiBiPtW _chemical_formula_sum 'Ni1 Bi1 Pt1 W1' _cell_volume 68.40220020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62299318 1.62299318 1.62299319 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 4.86897955 4.86897956 4.86897956 1 W W3 1 3.24598637 3.24598637 3.24598637 1 [/CIF]
BiNiPtW
F-43m
216
cubic
-43m
15,696.876769
false
[CIF] data_SrInReRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89427095 _cell_length_b 4.89427095 _cell_length_c 4.89427095 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrInReRh _chemical_formula_sum 'Sr1 In1 Re1 Rh1' _cell_volume 82.89894976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.73038609 1.73038609 1.73038609 1 Re Re1 1 5.19115827 5.19115827 5.19115827 1 Rh Rh2 1 3.46077218 3.46077218 3.46077218 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InReRhSr
F-43m
216
cubic
-43m
9,846.18998
false
[CIF] data_Ti2CoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06580276 _cell_length_b 3.06580276 _cell_length_c 5.99899852 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CoTc _chemical_formula_sum 'Ti2 Co1 Tc1' _cell_volume 56.38546632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 0.00000000 0.00000000 2.99949926 1 Ti Ti2 1 1.53290138 1.53290138 4.51551421 1 Ti Ti3 1 1.53290138 1.53290138 1.48348431 1 [/CIF]
CoTcTi2
P4/mmm
123
tetragonal
4/mmm
7,467.678395
false
[CIF] data_TbAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57988285 _cell_length_b 5.57988285 _cell_length_c 5.57988285 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbAl2 _chemical_formula_sum 'Tb2 Al4' _cell_volume 122.84578070 _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 Tb Tb0 1 0.00000000 0.00000000 0.00000000 1 Tb Tb1 1 1.97278650 1.97278650 1.97278650 1 Al Al2 1 4.93196625 4.93196625 4.93196625 1 Al Al3 1 4.93196625 2.95917975 2.95917975 1 Al Al4 1 2.95917975 4.93196625 2.95917975 1 Al Al5 1 2.95917975 2.95917975 4.93196625 1 [/CIF]
Al4Tb2
Fd-3m
227
cubic
m-3m
5,755.3389
false
[CIF] data_AlCrSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07940519 _cell_length_b 5.07940519 _cell_length_c 5.07940519 _cell_angle_alpha 142.01722939 _cell_angle_beta 142.01722939 _cell_angle_gamma 54.80284738 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrSn _chemical_formula_sum 'Al1 Cr1 Sn1' _cell_volume 49.28560614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.83847547 1 Cr Cr1 1 0.00000000 -0.00000000 3.12297998 1 Sn Sn2 1 0.00000000 0.00000000 6.07660842 1 [/CIF]
AlCrSn
I4mm
107
tetragonal
4mm
6,661.592929
false
[CIF] data_BaMg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65355790 _cell_length_b 4.65355790 _cell_length_c 5.31310444 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg2As _chemical_formula_sum 'Ba1 Mg2 As1' _cell_volume 115.05847051 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 2.32677895 2.32677895 0.00000000 1 Mg Mg2 1 2.32677895 0.00000000 2.65655222 1 Mg Mg3 1 0.00000000 2.32677895 2.65655222 1 [/CIF]
AsBaMg2
P4/mmm
123
tetragonal
4/mmm
3,764.745822
false
[CIF] data_LiAlW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35551477 _cell_length_b 4.35551477 _cell_length_c 4.35551477 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlW2 _chemical_formula_sum 'Li1 Al1 W2' _cell_volume 58.42563952 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07981403 3.07981403 3.07981403 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.61972105 4.61972105 4.61972105 1 W W3 1 1.53990702 1.53990702 1.53990702 1 [/CIF]
AlLiW2
Fm-3m
225
cubic
m-3m
11,414.110483
false
[CIF] data_KLaPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12476401 _cell_length_b 5.12476401 _cell_length_c 5.12476401 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaPdAu _chemical_formula_sum 'K1 La1 Pd1 Au1' _cell_volume 95.17143443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.62375538 3.62375538 3.62375538 1 K K1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 5.43563307 5.43563307 5.43563307 1 Pd Pd3 1 1.81187769 1.81187769 1.81187769 1 [/CIF]
AuKLaPd
F-43m
216
cubic
-43m
8,399.237323
false
[CIF] data_NaMgAlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64319077 _cell_length_b 4.64319077 _cell_length_c 4.64319077 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgAlPd _chemical_formula_sum 'Na1 Mg1 Al1 Pd1' _cell_volume 70.78391584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.64161584 1.64161584 1.64161584 1 Mg Mg1 1 4.92484752 4.92484752 4.92484752 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 3.28323168 3.28323168 3.28323168 1 [/CIF]
AlMgNaPd
F-43m
216
cubic
-43m
4,239.003662
false
[CIF] data_SnS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79986073 _cell_length_b 3.79986073 _cell_length_c 7.11834197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 122.36163910 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnS3 _chemical_formula_sum 'Sn1 S3' _cell_volume 86.81799509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S S0 1 1.83171147 0.00000000 1.61967222 1 S S1 1 0.00000000 0.00000000 0.00000000 1 S S2 1 1.83171147 0.00000000 5.49866975 1 Sn Sn3 1 0.00000000 0.00000000 3.55917098 1 [/CIF]
S3Sn
Cmmm
65
orthorhombic
mmm
4,110.416829
false
[CIF] data_LiNbAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37663656 _cell_length_b 5.37663656 _cell_length_c 5.37663656 _cell_angle_alpha 151.38061118 _cell_angle_beta 139.74428980 _cell_angle_gamma 50.13439303 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNbAl _chemical_formula_sum 'Li1 Nb1 Al1' _cell_volume 47.89811231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.12086141 1 Li Li1 1 -0.00000000 0.00000000 6.32237242 1 Nb Nb2 1 -0.00000000 0.00000000 3.29720471 1 [/CIF]
AlLiNb
Imm2
44
orthorhombic
mm2
4,396.924303
false
[CIF] data_LaMgBiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15337817 _cell_length_b 5.15337817 _cell_length_c 5.15337817 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMgBiW _chemical_formula_sum 'La1 Mg1 Bi1 W1' _cell_volume 96.77452369 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.64398865 3.64398865 3.64398865 1 La La1 1 1.82199433 1.82199432 1.82199432 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 5.46598298 5.46598298 5.46598298 1 [/CIF]
BiLaMgW
F-43m
216
cubic
-43m
9,540.847598
false
[CIF] data_CoBiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47051757 _cell_length_b 4.47051757 _cell_length_c 4.47051757 _cell_angle_alpha 132.40849400 _cell_angle_beta 101.98056783 _cell_angle_gamma 96.77716463 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoBiB2 _chemical_formula_sum 'Co1 Bi1 B2' _cell_volume 60.27437439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 -0.00000000 2.81397698 2.15187743 1 B B1 1 1.80375314 -0.00000000 0.81688250 1 Bi Bi2 1 0.00000000 -0.00000000 2.96875993 1 Co Co3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2BiCo
Immm
71
orthorhombic
mmm
7,976.60982
false
[CIF] data_Li2Mn3NiO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79735407 _cell_length_b 5.79735407 _cell_length_c 9.58291200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mn3NiO8 _chemical_formula_sum 'Li4 Mn6 Ni2 O16' _cell_volume 278.92521893 _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 Li Li0 1 2.89867703 1.67355197 5.88532624 1 Li Li1 1 0.00000000 0.00000000 4.80215053 1 Li Li2 1 0.00000000 0.00000000 0.01069453 1 Li Li3 1 -0.00000000 3.34710393 1.09387024 1 Mn Mn4 1 1.46693349 0.84693444 2.72913667 1 Mn Mn5 1 2.89867703 3.32678701 2.72913667 1 Mn Mn6 1 4.33042058 0.84693444 2.72913667 1 Mn Mn7 1 -1.43174355 4.17372146 7.52059267 1 Mn Mn8 1 0.00000000 1.69386889 7.52059267 1 Mn Mn9 1 1.43174355 4.17372146 7.52059267 1 Ni Ni10 1 2.89867703 1.67355197 0.10297797 1 Ni Ni11 1 -0.00000000 3.34710393 4.89443397 1 O O12 1 1.37826875 0.79574384 8.55692711 1 O O13 1 1.60194082 2.42222297 1.62211868 1 O O14 1 2.89867703 1.67355197 3.74837519 1 O O15 1 0.00000000 0.00000000 1.80071541 1 O O16 1 0.00000000 0.00000000 6.59217141 1 O O17 1 2.89867703 3.42916823 8.55692711 1 O O18 1 2.89867703 0.17620996 1.62211868 1 O O19 1 4.19541325 2.42222297 1.62211868 1 O O20 1 -1.52040828 4.22491206 3.76547111 1 O O21 1 4.41908532 0.79574384 8.55692711 1 O O22 1 -1.29673622 2.59843293 6.41357468 1 O O23 1 -0.00000000 4.84444594 6.41357468 1 O O24 1 -0.00000000 3.34710393 8.53983119 1 O O25 1 0.00000000 1.59148767 3.76547111 1 O O26 1 1.29673622 2.59843293 6.41357468 1 O O27 1 1.52040828 4.22491206 3.76547111 1 [/CIF]
Li4Mn6Ni2O16
P6_3mc
186
hexagonal
6mm
4,350.525379
false
[CIF] data_ReSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20829938 _cell_length_b 5.20829938 _cell_length_c 5.20829938 _cell_angle_alpha 108.42258829 _cell_angle_beta 108.42258829 _cell_angle_gamma 111.58947840 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSe2 _chemical_formula_sum 'Re2 Se4' _cell_volume 108.64723161 _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 -0.00000000 0.00000000 4.39184103 1 Re Re1 1 0.00000000 0.00000000 1.46394701 1 Se Se2 1 1.05274496 1.99305699 0.00000000 1 Se Se3 1 1.99305699 1.05274496 2.92789402 1 Se Se4 1 4.09854691 1.05274496 0.00000000 1 Se Se5 1 -1.05274496 1.99305699 2.92789402 1 [/CIF]
Re2Se4
I4/mcm
140
tetragonal
4/mmm
10,519.114365
false
[CIF] data_ScV2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.03958001 _cell_length_b 9.03958001 _cell_length_c 9.03958001 _cell_angle_alpha 19.78919066 _cell_angle_beta 19.78919066 _cell_angle_gamma 19.78919066 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScV2Sb _chemical_formula_sum 'Sc1 V2 Sb1' _cell_volume 74.05298977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.28977210 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 0.00000000 20.03582973 1 V V3 1 0.00000000 0.00000000 6.54371447 1 [/CIF]
SbScV2
R-3m
166
trigonal
-3m
6,022.970682
false
[CIF] data_BeNi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04316853 _cell_length_b 3.04316853 _cell_length_c 5.64256023 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNi2Sn _chemical_formula_sum 'Be1 Ni2 Sn1' _cell_volume 52.25504339 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72511131 1 Ni Ni1 1 1.52158427 1.52158427 5.37132749 1 Ni Ni2 1 0.00000000 0.00000000 1.25053918 1 Sn Sn3 1 1.52158427 1.52158427 2.75942259 1 [/CIF]
BeNi2Sn
P4mm
99
tetragonal
4mm
7,789.050573
false
[CIF] data_Ba2ZrSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92747400 _cell_length_b 5.92747400 _cell_length_c 5.92747400 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ZrSe _chemical_formula_sum 'Ba2 Zr1 Se1' _cell_volume 147.26311239 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.09567853 2.09567853 2.09567853 1 Ba Ba1 1 6.28703559 6.28703559 6.28703559 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 4.19135706 4.19135706 4.19135706 1 [/CIF]
Ba2SeZr
Fm-3m
225
cubic
m-3m
5,015.993926
false
[CIF] data_CrFe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42204177 _cell_length_b 4.42204177 _cell_length_c 4.41039362 _cell_angle_alpha 95.20589133 _cell_angle_beta 95.20589133 _cell_angle_gamma 38.11149654 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFe2Br _chemical_formula_sum 'Cr1 Fe2 Br1' _cell_volume 52.98271959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.96803112 -0.00000000 2.19501272 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 5.99634968 -0.00000000 0.91098072 1 Fe Fe3 1 1.93971256 -0.00000000 3.47904472 1 [/CIF]
BrCrFe2
C2/m
12
monoclinic
2/m
7,634.392504
false
[CIF] data_SiSnHgS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95336746 _cell_length_b 4.95336746 _cell_length_c 4.95336746 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiSnHgS _chemical_formula_sum 'Si1 Sn1 Hg1 S1' _cell_volume 85.93827705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.75127986 1.75127986 1.75127986 1 S S1 1 3.50255972 3.50255972 3.50255972 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 5.25383958 5.25383958 5.25383958 1 [/CIF]
HgSSiSn
F-43m
216
cubic
-43m
7,331.917752
false
[CIF] data_LaSi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33062623 _cell_length_b 8.33062623 _cell_length_c 8.33062623 _cell_angle_alpha 24.70342774 _cell_angle_beta 24.70342774 _cell_angle_gamma 24.70342774 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSi2Ge _chemical_formula_sum 'La1 Si2 Ge1' _cell_volume 88.80240203 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 La La1 1 -0.00000000 0.00000000 12.10874437 1 Si Si2 1 -0.00000000 0.00000000 17.74133387 1 Si Si3 1 -0.00000000 0.00000000 6.47615487 1 [/CIF]
GeLaSi2
R-3m
166
trigonal
-3m
5,006.099468
false
[CIF] data_TaVW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48604569 _cell_length_b 4.48604569 _cell_length_c 4.48604569 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaVW2 _chemical_formula_sum 'Ta1 V1 W2' _cell_volume 63.83753082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.75817000 4.75817000 4.75817000 1 V V1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.58605667 1.58605667 1.58605667 1 W W3 1 3.17211333 3.17211333 3.17211333 1 [/CIF]
TaVW2
F-43m
216
cubic
-43m
15,595.972556
false
[CIF] data_U2GaB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71357781 _cell_length_b 4.71357781 _cell_length_c 4.71357781 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural U2GaB _chemical_formula_sum 'U2 Ga1 B1' _cell_volume 74.05204297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 3.33300283 3.33300283 3.33300283 1 U U2 1 1.66650142 1.66650142 1.66650142 1 U U3 1 4.99950425 4.99950425 4.99950425 1 [/CIF]
BGaU2
Fm-3m
225
cubic
m-3m
12,480.985321
false
[CIF] data_ZrTiIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90681469 _cell_length_b 4.90681469 _cell_length_c 4.90681469 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiIn _chemical_formula_sum 'Zr1 Ti1 In1' _cell_volume 83.53798048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.46964194 3.46964194 3.46964194 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 5.20446291 5.20446291 5.20446291 1 [/CIF]
InTiZr
F-43m
216
cubic
-43m
5,047.115233
false
[CIF] data_K2ScB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59021405 _cell_length_b 6.59021405 _cell_length_c 6.59021405 _cell_angle_alpha 143.49300123 _cell_angle_beta 143.49300123 _cell_angle_gamma 52.58611120 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ScB _chemical_formula_sum 'K2 Sc1 B1' _cell_volume 100.70064989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 2.06419877 -0.00000000 2.95419567 1 K K2 1 -0.00000000 2.06419877 2.95419567 1 Sc Sc3 1 0.00000000 -0.00000000 5.90839133 1 [/CIF]
BK2Sc
I4/mmm
139
tetragonal
4/mmm
2,209.038824
false
[CIF] data_Nb2HgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12807835 _cell_length_b 3.12807835 _cell_length_c 7.39414405 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2HgSe _chemical_formula_sum 'Nb2 Hg1 Se1' _cell_volume 72.35076908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 3.69707203 1 Nb Nb1 1 1.56403918 1.56403918 5.78458455 1 Nb Nb2 1 1.56403918 1.56403918 1.60955950 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgNb2Se
P4/mmm
123
tetragonal
4/mmm
10,680.647255
false
[CIF] data_BeCr2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79684235 _cell_length_b 3.78502762 _cell_length_c 4.81742526 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.76615523 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCr2Se _chemical_formula_sum 'Be1 Cr2 Se1' _cell_volume 50.40214105 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.75031922 1.89251381 1.05085075 1 Cr Cr2 1 0.31233760 1.89251381 3.71030013 1 Se Se3 1 1.03132841 0.00000000 2.38057544 1 [/CIF]
BeCr2Se
P2/m
10
monoclinic
2/m
6,324.420929
false
[CIF] data_PmSiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67923104 _cell_length_b 4.67923104 _cell_length_c 4.67923104 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmSiPd2 _chemical_formula_sum 'Pm1 Si1 Pd2' _cell_volume 72.44500894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65435800 1.65435800 1.65435800 1 Pd Pd1 1 4.96307400 4.96307400 4.96307400 1 Pm Pm2 1 3.30871600 3.30871600 3.30871600 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2PmSi
Fm-3m
225
cubic
m-3m
8,845.942307
false
[CIF] data_BaLiHf2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29708459 _cell_length_b 3.29708459 _cell_length_c 10.19766180 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiHf2 _chemical_formula_sum 'Ba1 Li1 Hf2' _cell_volume 110.85640327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64854230 1.64854230 7.59320416 1 Hf Hf1 1 0.00000000 0.00000000 0.54391901 1 Hf Hf2 1 1.64854230 1.64854230 2.47005225 1 Li Li3 1 0.00000000 0.00000000 4.68931738 1 [/CIF]
BaHf2Li
P4mm
99
tetragonal
4mm
7,508.288755
false
[CIF] data_LiCaIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05900913 _cell_length_b 9.05900913 _cell_length_c 9.05900913 _cell_angle_alpha 18.33936280 _cell_angle_beta 18.33936280 _cell_angle_gamma 18.33936280 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaIr2 _chemical_formula_sum 'Li1 Ca1 Ir2' _cell_volume 64.28428966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.35647694 1 Ir Ir1 1 -0.00000000 -0.00000000 6.80536435 1 Ir Ir2 1 0.00000000 -0.00000000 19.90758953 1 Li Li3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
CaIr2Li
R-3m
166
trigonal
-3m
11,144.940161
false
[CIF] data_InFe4Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04895792 _cell_length_b 5.04895792 _cell_length_c 5.04895792 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InFe4Sb _chemical_formula_sum 'In1 Fe4 Sb1' _cell_volume 91.01023890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.67307983 2.67307983 4.46722493 1 Fe Fe1 1 2.67307983 4.46722493 2.67307983 1 Fe Fe2 1 4.46722493 2.67307983 2.67307983 1 Fe Fe3 1 4.46722493 4.46722493 4.46722493 1 In In4 1 0.00000000 0.00000000 0.00000000 1 Sb Sb5 1 1.78507619 1.78507619 1.78507619 1 [/CIF]
Fe4InSb
F-43m
216
cubic
-43m
8,392.223086
false
[CIF] data_LiAs2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44810528 _cell_length_b 4.44810528 _cell_length_c 3.11977617 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.05038497 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAs2Os _chemical_formula_sum 'Li1 As2 Os1' _cell_volume 60.36658284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39888157 1.72902877 1.55988809 1 As As1 1 1.39888157 -1.72902877 1.55988809 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 2.79776314 0.00000000 0.00000000 1 [/CIF]
As2LiOs
Cmmm
65
orthorhombic
mmm
9,545.788239
false
[CIF] data_Nb2PdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01205095 _cell_length_b 4.38121265 _cell_length_c 5.69855182 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2PdPb _chemical_formula_sum 'Nb2 Pd1 Pb1' _cell_volume 75.20057282 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.50602547 2.19060632 1.32853872 1 Nb Nb1 1 1.50602547 2.19060632 4.37001310 1 Pb Pb2 1 0.00000000 0.00000000 2.84927591 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2PbPd
Pmmm
47
orthorhombic
mmm
11,028.20867
false
[CIF] data_InFeSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73571224 _cell_length_b 3.73571224 _cell_length_c 4.58680138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InFeSi2 _chemical_formula_sum 'In1 Fe1 Si2' _cell_volume 64.01131721 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.86785612 1.86785612 0.00000000 1 Si Si2 1 1.86785612 0.00000000 2.29340069 1 Si Si3 1 0.00000000 1.86785612 2.29340069 1 [/CIF]
FeInSi2
P4/mmm
123
tetragonal
4/mmm
5,885.076527
false
[CIF] data_LaVCoHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87337063 _cell_length_b 4.87337063 _cell_length_c 4.87337063 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaVCoHg _chemical_formula_sum 'La1 V1 Co1 Hg1' _cell_volume 81.84145225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.16899013 5.16899013 5.16899013 1 Hg Hg1 1 3.44599342 3.44599342 3.44599342 1 La La2 1 1.72299671 1.72299671 1.72299671 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoHgLaV
F-43m
216
cubic
-43m
9,117.588872
false
[CIF] data_NaAlSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76914803 _cell_length_b 4.76914803 _cell_length_c 4.27480967 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlSb2 _chemical_formula_sum 'Na1 Al1 Sb2' _cell_volume 97.22957527 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.38457402 2.38457402 0.00000000 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 0.00000000 2.38457402 2.13740483 1 Sb Sb3 1 2.38457402 0.00000000 2.13740483 1 [/CIF]
AlNaSb2
P4/mmm
123
tetragonal
4/mmm
5,012.402667
false
[CIF] data_NbGa4Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07174634 _cell_length_b 5.07174634 _cell_length_c 5.07174634 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGa4Re _chemical_formula_sum 'Nb1 Ga4 Re1' _cell_volume 92.24813098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.69017143 2.69017143 4.48236103 1 Ga Ga1 1 2.69017143 4.48236103 2.69017143 1 Ga Ga2 1 4.48236103 2.69017143 2.69017143 1 Ga Ga3 1 4.48236103 4.48236103 4.48236103 1 Nb Nb4 1 0.00000000 0.00000000 0.00000000 1 Re Re5 1 1.79313312 1.79313312 1.79313312 1 [/CIF]
Ga4NbRe
F-43m
216
cubic
-43m
10,044.536654
false
[CIF] data_FeRuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49189794 _cell_length_b 4.49189794 _cell_length_c 4.49189794 _cell_angle_alpha 140.25374605 _cell_angle_beta 130.24187310 _cell_angle_gamma 65.48702158 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRuSe _chemical_formula_sum 'Fe1 Ru1 Se1' _cell_volume 43.60886152 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.07503190 1 Ru Ru1 1 0.00000000 0.00000000 5.01368270 1 Se Se2 1 0.00000000 -0.00000000 2.46755859 1 [/CIF]
FeRuSe
Imm2
44
orthorhombic
mm2
8,981.652781
false
[CIF] data_GaNiCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91917423 _cell_length_b 4.91917423 _cell_length_c 4.91917423 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaNiCl3 _chemical_formula_sum 'Ga1 Ni1 Cl3' _cell_volume 119.03553131 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 2.45958712 2.45958712 2.45958712 1 Cl Cl2 1 2.45958712 0.00000000 2.45958712 1 Cl Cl3 1 2.45958712 2.45958712 0.00000000 1 Cl Cl4 1 0.00000000 2.45958712 2.45958712 1 [/CIF]
Cl3GaNi
Pm-3m
221
cubic
m-3m
3,275.103822
false
[CIF] data_TlCrInFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76899770 _cell_length_b 4.76899770 _cell_length_c 4.76899770 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCrInFe _chemical_formula_sum 'Tl1 Cr1 In1 Fe1' _cell_volume 76.69487428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 1.68609531 1.68609531 1.68609531 1 In In2 1 3.37219061 3.37219061 3.37219061 1 Tl Tl3 1 5.05828592 5.05828592 5.05828592 1 [/CIF]
CrFeInTl
F-43m
216
cubic
-43m
9,245.99714
false
[CIF] data_RePb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79564191 _cell_length_b 4.79564191 _cell_length_c 4.79564191 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePb2W _chemical_formula_sum 'Re1 Pb2 W1' _cell_volume 77.98754403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69551546 1.69551546 1.69551546 1 Pb Pb1 1 5.08654638 5.08654638 5.08654638 1 Re Re2 1 3.39103092 3.39103092 3.39103092 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb2ReW
Fm-3m
225
cubic
m-3m
16,702.854376
false
[CIF] data_TiBeMoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27690278 _cell_length_b 4.27690278 _cell_length_c 4.27690278 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBeMoRu _chemical_formula_sum 'Ti1 Be1 Mo1 Ru1' _cell_volume 55.31884930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 3.02422696 3.02422696 3.02422696 1 Ru Ru2 1 1.51211348 1.51211348 1.51211348 1 Ti Ti3 1 4.53634044 4.53634044 4.53634044 1 [/CIF]
BeMoRuTi
F-43m
216
cubic
-43m
7,621.744151
false
[CIF] data_LiZnSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69328026 _cell_length_b 2.69328026 _cell_length_c 8.04705940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZnSi2 _chemical_formula_sum 'Li1 Zn1 Si2' _cell_volume 58.37142600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.05540190 1 Si Si1 1 1.34664013 1.34664013 8.01625228 1 Si Si2 1 0.00000000 0.00000000 1.99093125 1 Zn Zn3 1 1.34664013 1.34664013 4.05506307 1 [/CIF]
LiSi2Zn
P4mm
99
tetragonal
4mm
3,655.315629
false
[CIF] data_CsCe2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59027166 _cell_length_b 5.59027166 _cell_length_c 5.59027166 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsCe2Au _chemical_formula_sum 'Cs1 Ce2 Au1' _cell_volume 123.53321417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.95291900 3.95291900 3.95291900 1 Ce Ce1 1 5.92937850 5.92937850 5.92937850 1 Ce Ce2 1 1.97645950 1.97645950 1.97645950 1 Cs Cs3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCe2Cs
Fm-3m
225
cubic
m-3m
8,201.045915
false
[CIF] data_ScCr2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79456691 _cell_length_b 2.79456691 _cell_length_c 8.14232620 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.67886220 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCr2Pd _chemical_formula_sum 'Sc1 Cr2 Pd1' _cell_volume 59.49162586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58930817 0.00000000 7.87051573 1 Cr Cr1 1 0.00000000 0.00000000 6.31107209 1 Pd Pd2 1 1.58930817 0.00000000 4.20542924 1 Sc Sc3 1 0.00000000 0.00000000 1.96879843 1 [/CIF]
Cr2PdSc
Cmm2
35
orthorhombic
mm2
7,127.87254
false
[CIF] data_SrMnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13668499 _cell_length_b 5.13668499 _cell_length_c 5.13668499 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnTe _chemical_formula_sum 'Sr1 Mn1 Te1' _cell_volume 95.83713054 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 3.63218479 3.63218479 3.63218479 1 Te Te2 1 5.44827719 5.44827719 5.44827719 1 [/CIF]
MnSrTe
F-43m
216
cubic
-43m
4,680.941357
false
[CIF] data_LiNiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65438965 _cell_length_b 4.65438965 _cell_length_c 4.65438965 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNiSn2 _chemical_formula_sum 'Li1 Ni1 Sn2' _cell_volume 71.29732171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 3.29115048 3.29115048 3.29115048 1 Sn Sn2 1 1.64557524 1.64557524 1.64557524 1 Sn Sn3 1 4.93672572 4.93672572 4.93672572 1 [/CIF]
LiNiSn2
Fm-3m
225
cubic
m-3m
7,058.278159
false
[CIF] data_ScInIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26783968 _cell_length_b 6.26783968 _cell_length_c 6.26783968 _cell_angle_alpha 151.11006747 _cell_angle_beta 151.11006747 _cell_angle_gamma 41.31434538 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScInIr _chemical_formula_sum 'Sc1 In1 Ir1' _cell_volume 57.34834043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.54685039 1 Ir Ir1 1 0.00000000 -0.00000000 3.83639020 1 Sc Sc2 1 0.00000000 -0.00000000 8.07623005 1 [/CIF]
InIrSc
I4mm
107
tetragonal
4mm
10,192.006536
false
[CIF] data_Li2TcAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91659396 _cell_length_b 2.91659396 _cell_length_c 8.68973577 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.98837354 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TcAs _chemical_formula_sum 'Li2 Tc1 As1' _cell_volume 68.04903870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 2.33376089 1 Li Li1 1 1.61002283 0.00000000 0.23263326 1 Li Li2 1 0.00000000 0.00000000 6.32606586 1 Tc Tc3 1 1.61002283 0.00000000 4.14214365 1 [/CIF]
AsLi2Tc
Cmm2
35
orthorhombic
mm2
4,580.512261
false
[CIF] data_Ca2HfPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48036637 _cell_length_b 3.48036637 _cell_length_c 10.03751698 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.71918269 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2HfPb _chemical_formula_sum 'Ca2 Hf1 Pb1' _cell_volume 121.32788079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.39790946 1 Ca Ca1 1 2.37983471 0.00000000 7.22730241 1 Hf Hf2 1 0.00000000 0.00000000 4.72868178 1 Pb Pb3 1 2.37983471 0.00000000 2.70238183 1 [/CIF]
Ca2HfPb
Cmm2
35
orthorhombic
mm2
6,375.743786
false
[CIF] data_NaBiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93968555 _cell_length_b 3.93968555 _cell_length_c 4.66542087 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBiOs2 _chemical_formula_sum 'Na1 Bi1 Os2' _cell_volume 72.41256759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96984278 1.96984278 0.00000000 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 0.00000000 1.96984278 2.33271044 1 Os Os3 1 1.96984278 0.00000000 2.33271044 1 [/CIF]
BiNaOs2
P4/mmm
123
tetragonal
4/mmm
14,044.02931
false
[CIF] data_BeGa2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85328492 _cell_length_b 3.85328492 _cell_length_c 5.16907528 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGa2Sb _chemical_formula_sum 'Be1 Ga2 Sb1' _cell_volume 76.74942011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 0.00000000 1.92664246 2.58453764 1 Ga Ga2 1 1.92664246 0.00000000 2.58453764 1 Sb Sb3 1 1.92664246 1.92664246 0.00000000 1 [/CIF]
BeGa2Sb
P4/mmm
123
tetragonal
4/mmm
5,846.400495
false
[CIF] data_CrInSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38863319 _cell_length_b 5.38863319 _cell_length_c 3.41721617 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.81713905 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrInSn2 _chemical_formula_sum 'Cr1 In1 Sn2' _cell_volume 95.46988241 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.24982372 0.00000000 0.00000000 1 Sn Sn2 1 1.62491186 2.14918667 1.70860809 1 Sn Sn3 1 1.62491186 -2.14918667 1.70860809 1 [/CIF]
CrInSn2
Cmmm
65
orthorhombic
mmm
7,030.987339
false
[CIF] data_Ca2HfAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01389912 _cell_length_b 4.06183364 _cell_length_c 6.14332607 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.73191057 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2HfAs _chemical_formula_sum 'Ca2 Hf1 As1' _cell_volume 100.15132905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 1.95612705 2.03091682 1.41423744 1 Ca Ca2 1 1.97929782 2.03091682 4.72858740 1 Hf Hf3 1 -0.03923712 0.00000000 3.07141242 1 [/CIF]
AsCa2Hf
P2/m
10
monoclinic
2/m
5,530.65083
false
[CIF] data_V2CrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95705923 _cell_length_b 4.95705923 _cell_length_c 4.95705923 _cell_angle_alpha 144.92509060 _cell_angle_beta 129.83816542 _cell_angle_gamma 62.67593391 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CrRe _chemical_formula_sum 'V2 Cr1 Re1' _cell_volume 53.15580610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.22963265 1 Re Re1 1 -0.00000000 2.10128647 2.09358905 1 V V2 1 -0.00000000 0.00000000 8.46700757 1 V V3 1 1.49370663 -0.00000000 2.14535309 1 [/CIF]
CrReV2
Imm2
44
orthorhombic
mm2
10,623.987891
false
[CIF] data_LiGaCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52891007 _cell_length_b 3.52891007 _cell_length_c 6.01361432 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGaCl _chemical_formula_sum 'Li1 Ga1 Cl1' _cell_volume 64.85558576 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.03741719 5.44360733 1 Ga Ga1 1 1.76445502 1.01870860 2.13694741 1 Li Li2 1 0.00000000 0.00000000 4.44667390 1 [/CIF]
ClGaLi
P3m1
156
trigonal
3m
2,870.603297
false
[CIF] data_Tl2CuBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40778264 _cell_length_b 3.40778264 _cell_length_c 8.88567721 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CuBi _chemical_formula_sum 'Tl2 Cu1 Bi1' _cell_volume 103.18921413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.44283861 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.70389132 1.70389132 1.75299146 1 Tl Tl3 1 1.70389132 1.70389132 7.13268575 1 [/CIF]
BiCuTl2
P4/mmm
123
tetragonal
4/mmm
10,963.487336
false
[CIF] data_KTiOsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66821388 _cell_length_b 4.66821388 _cell_length_c 4.66821388 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTiOsPd _chemical_formula_sum 'K1 Ti1 Os1 Pd1' _cell_volume 71.93450155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 4.95138854 4.95138854 4.95138854 1 Pd Pd2 1 1.65046285 1.65046285 1.65046284 1 Ti Ti3 1 3.30092569 3.30092569 3.30092569 1 [/CIF]
KOsPdTi
F-43m
216
cubic
-43m
8,855.391758
false
[CIF] data_TbZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41291484 _cell_length_b 4.41291484 _cell_length_c 4.41291484 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbZn _chemical_formula_sum 'Tb1 Zn1' _cell_volume 60.76613898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 1.56020100 1.56020100 1.56020100 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
TbZn
F-43m
216
cubic
-43m
6,129.52876
false
[CIF] data_TaNbNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34919032 _cell_length_b 4.34919032 _cell_length_c 4.34919032 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbNi2 _chemical_formula_sum 'Ta1 Nb1 Ni2' _cell_volume 58.17149715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 1.53767099 1.53767099 1.53767099 1 Ni Ni2 1 4.61301296 4.61301296 4.61301296 1 Ta Ta3 1 3.07534197 3.07534197 3.07534197 1 [/CIF]
NbNi2Ta
Fm-3m
225
cubic
m-3m
11,168.202581
false
[CIF] data_KCdCuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87018035 _cell_length_b 4.87018035 _cell_length_c 4.87018035 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCdCuPt _chemical_formula_sum 'K1 Cd1 Cu1 Pt1' _cell_volume 81.68082846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.16560632 5.16560632 5.16560632 1 Cu Cu1 1 1.72186877 1.72186877 1.72186877 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 3.44373755 3.44373755 3.44373755 1 [/CIF]
CdCuKPt
F-43m
216
cubic
-43m
8,337.970405
false
[CIF] data_NaCdNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74842944 _cell_length_b 4.74842944 _cell_length_c 4.74842944 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdNiSn _chemical_formula_sum 'Na1 Cd1 Ni1 Sn1' _cell_volume 75.70681402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67882333 1.67882333 1.67882333 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 3.35764666 3.35764666 3.35764666 1 Sn Sn3 1 5.03646999 5.03646999 5.03646999 1 [/CIF]
CdNaNiSn
F-43m
216
cubic
-43m
6,860.98801
false
[CIF] data_KTlFePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99650069 _cell_length_b 4.99650069 _cell_length_c 4.99650069 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTlFePt _chemical_formula_sum 'K1 Tl1 Fe1 Pt1' _cell_volume 88.20289855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53305952 3.53305952 3.53305952 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 5.29958928 5.29958928 5.29958928 1 Tl Tl3 1 1.76652976 1.76652976 1.76652976 1 [/CIF]
FeKPtTl
F-43m
216
cubic
-43m
9,307.949395
false