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_CoSnPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78793241 _cell_length_b 4.78793241 _cell_length_c 4.78793241 _cell_angle_alpha 130.35903669 _cell_angle_beta 130.35903669 _cell_angle_gamma 72.83343444 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSnPt2 _chemical_formula_sum 'Co1 Sn1 Pt2' _cell_volume 62.25661795 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 2.00986180 0.00000000 1.92647397 1 Pt Pt2 1 0.00000000 -0.00000000 3.85294794 1 Sn Sn3 1 -0.00000000 2.00986180 1.92647397 1 [/CIF]
CoPt2Sn
I-4m2
119
tetragonal
-42m
15,144.938849
false
[CIF] data_VS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93216714 _cell_length_b 2.93216714 _cell_length_c 2.93216714 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VS _chemical_formula_sum 'V1 S1' _cell_volume 25.20961233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 V V1 1 1.46608357 1.46608357 1.46608357 1 [/CIF]
SV
Pm-3m
221
cubic
m-3m
5,467.578565
false
[CIF] data_FePt2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74410354 _cell_length_b 3.98244193 _cell_length_c 5.41681736 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePt2W _chemical_formula_sum 'Fe1 Pt2 W1' _cell_volume 59.19624222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.37205177 1.99122096 1.34271695 1 Pt Pt2 1 1.37205177 1.99122096 4.07410041 1 W W3 1 0.00000000 0.00000000 2.70840868 1 [/CIF]
FePt2W
Pmmm
47
orthorhombic
mmm
17,668.275443
false
[CIF] data_KHgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28493092 _cell_length_b 4.71240797 _cell_length_c 6.57549471 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHgPt2 _chemical_formula_sum 'K1 Hg1 Pt2' _cell_volume 101.78822839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64246546 2.35620398 3.29484238 1 K K1 1 0.00000000 0.00000000 4.92745842 1 Pt Pt2 1 1.64246546 2.35620398 6.56682104 1 Pt Pt3 1 0.00000000 0.00000000 1.64961494 1 [/CIF]
HgKPt2
Pmm2
25
orthorhombic
mm2
10,275.264724
false
[CIF] data_La2InBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60573882 _cell_length_b 5.60573882 _cell_length_c 5.60573882 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2InBi _chemical_formula_sum 'La2 In1 Bi1' _cell_volume 124.56142829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.96385593 3.96385593 3.96385593 1 In In1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 1.98192797 1.98192797 1.98192797 1 La La3 1 5.94578390 5.94578390 5.94578389 1 [/CIF]
BiInLa2
Fm-3m
225
cubic
m-3m
8,020.105626
false
[CIF] data_CsTcO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03234300 _cell_length_b 4.03234300 _cell_length_c 4.03234300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsTcO3 _chemical_formula_sum 'Cs1 Tc1 O3' _cell_volume 65.56505067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01617150 2.01617150 2.01617150 1 O O1 1 0.00000000 0.00000000 2.01617150 1 O O2 1 0.00000000 2.01617150 0.00000000 1 O O3 1 2.01617150 0.00000000 0.00000000 1 Tc Tc4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CsO3Tc
Pm-3m
221
cubic
m-3m
7,086.629013
false
[CIF] data_AlZnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89344468 _cell_length_b 5.89344468 _cell_length_c 5.89344468 _cell_angle_alpha 135.09122262 _cell_angle_beta 135.09122262 _cell_angle_gamma 65.38849314 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZnPb2 _chemical_formula_sum 'Al1 Zn1 Pb2' _cell_volume 100.52253278 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.25098847 -0.00000000 2.47985847 1 Pb Pb2 1 0.00000000 -0.00000000 4.95971693 1 Zn Zn3 1 -0.00000000 2.25098847 2.47985847 1 [/CIF]
AlPb2Zn
I-4m2
119
tetragonal
-42m
8,371.230897
false
[CIF] data_NaAg2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43936287 _cell_length_b 3.43936287 _cell_length_c 8.07293359 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAg2Bi _chemical_formula_sum 'Na1 Ag2 Bi1' _cell_volume 95.49648286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71968143 1.71968143 0.24614213 1 Ag Ag1 1 0.00000000 0.00000000 1.75095657 1 Bi Bi2 1 1.71968143 1.71968143 3.78372004 1 Na Na3 1 0.00000000 0.00000000 6.32858173 1 [/CIF]
Ag2BiNa
P4mm
99
tetragonal
4mm
7,784.966545
false
[CIF] data_GaSiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58018931 _cell_length_b 3.58018931 _cell_length_c 7.56198287 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSiBr2 _chemical_formula_sum 'Ga1 Si1 Br2' _cell_volume 96.92764749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79009466 1.79009466 1.78775574 1 Br Br1 1 1.79009466 1.79009466 5.77422713 1 Ga Ga2 1 0.00000000 0.00000000 3.78099144 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2GaSi
P4/mmm
123
tetragonal
4/mmm
4,413.431207
false
[CIF] data_KNbGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84587932 _cell_length_b 4.84587932 _cell_length_c 4.84587932 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNbGaPt _chemical_formula_sum 'K1 Nb1 Ga1 Pt1' _cell_volume 80.46421639 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71327706 1.71327706 1.71327707 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 3.42655413 3.42655413 3.42655413 1 Pt Pt3 1 5.13983120 5.13983120 5.13983120 1 [/CIF]
GaKNbPt
F-43m
216
cubic
-43m
8,188.997871
false
[CIF] data_VTc2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67550794 _cell_length_b 4.23867499 _cell_length_c 5.28130788 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.58346075 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTc2Pd _chemical_formula_sum 'V1 Tc2 Pd1' _cell_volume 58.21796181 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.12557507 2.11933749 3.79227972 1 Tc Tc1 1 0.04618558 0.00000000 0.09921307 1 Tc Tc2 1 1.28803668 2.11933749 1.29586085 1 V V3 1 2.03065444 0.00000000 2.51302165 1 [/CIF]
PdTc2V
Pm
6
monoclinic
m
10,130.552806
false
[CIF] data_YTiAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20590559 _cell_length_b 5.20590559 _cell_length_c 5.20590559 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiAg3 _chemical_formula_sum 'Y1 Ti1 Ag3' _cell_volume 141.08760573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 2.60295279 2.60295279 2.60295279 1 Ag Ag1 1 2.60295279 0.00000000 2.60295279 1 Ag Ag2 1 2.60295279 2.60295279 0.00000000 1 Ag Ag3 1 0.00000000 2.60295279 2.60295279 1 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag3TiY
Pm-3m
221
cubic
m-3m
5,418.440104
false
[CIF] data_AlFeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00190565 _cell_length_b 4.00190565 _cell_length_c 4.00190565 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFeIr _chemical_formula_sum 'Al1 Fe1 Ir1' _cell_volume 45.31954459 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.24466193 4.24466193 4.24466193 1 Ir Ir2 1 2.82977462 2.82977462 2.82977462 1 [/CIF]
AlFeIr
F-43m
216
cubic
-43m
10,077.783107
false
[CIF] data_Ca2SiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23540210 _cell_length_b 5.23540210 _cell_length_c 5.23540210 _cell_angle_alpha 127.33799881 _cell_angle_beta 127.33799881 _cell_angle_gamma 77.69992550 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2SiP _chemical_formula_sum 'Ca2 Si1 P1' _cell_volume 87.94850464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.32219496 -0.00000000 2.03864270 1 Ca Ca1 1 -0.00000000 2.32219496 2.03864270 1 P P2 1 0.00000000 -0.00000000 4.07728540 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2PSi
I4/mmm
139
tetragonal
4/mmm
2,628.497007
false
[CIF] data_TiRhW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45168032 _cell_length_b 4.45168032 _cell_length_c 4.45168032 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiRhW2 _chemical_formula_sum 'Ti1 Rh1 W2' _cell_volume 62.38165755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72172001 4.72172001 4.72172001 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.57390667 1.57390667 1.57390667 1 W W3 1 3.14781334 3.14781334 3.14781334 1 [/CIF]
RhTiW2
F-43m
216
cubic
-43m
13,800.701429
false
[CIF] data_BaCrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79203183 _cell_length_b 4.79203183 _cell_length_c 4.79203183 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCrRh _chemical_formula_sum 'Ba1 Cr1 Rh1' _cell_volume 77.81155303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.08271730 5.08271730 5.08271730 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.69423910 1.69423910 1.69423910 1 [/CIF]
BaCrRh
F-43m
216
cubic
-43m
6,236.310519
false
[CIF] data_Nb2TlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29418432 _cell_length_b 5.29418432 _cell_length_c 5.29418432 _cell_angle_alpha 135.29393105 _cell_angle_beta 135.29393105 _cell_angle_gamma 65.07383860 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2TlIr _chemical_formula_sum 'Nb2 Tl1 Ir1' _cell_volume 72.37505547 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 4.46323591 1 Nb Nb1 1 0.00000000 2.01344392 2.23161795 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.01344392 0.00000000 2.23161795 1 [/CIF]
IrNb2Tl
I-4m2
119
tetragonal
-42m
13,362.609987
false
[CIF] data_Mg2AsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25998324 _cell_length_b 5.25998324 _cell_length_c 5.25998324 _cell_angle_alpha 135.67969058 _cell_angle_beta 135.67969058 _cell_angle_gamma 64.47592919 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2AsPd _chemical_formula_sum 'Mg2 As1 Pd1' _cell_volume 70.05469920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.44910366 1 Mg Mg1 1 0.00000000 1.98404893 2.22455183 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 1.98404893 0.00000000 2.22455183 1 [/CIF]
AsMg2Pd
I-4m2
119
tetragonal
-42m
5,450.649558
false
[CIF] data_Be2GaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34256134 _cell_length_b 4.34256134 _cell_length_c 4.34256134 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2GaSe _chemical_formula_sum 'Be2 Ga1 Se1' _cell_volume 57.90590943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53532729 1.53532729 1.53532729 1 Be Be1 1 4.60598186 4.60598186 4.60598186 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 3.07065457 3.07065457 3.07065457 1 [/CIF]
Be2GaSe
Fm-3m
225
cubic
m-3m
4,780.584457
false
[CIF] data_Nb3CdIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88877817 _cell_length_b 4.88877817 _cell_length_c 4.88877817 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3CdIr _chemical_formula_sum 'Nb3 Cd1 Ir1' _cell_volume 116.84254134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44438909 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 2.44438909 1 Nb Nb2 1 2.44438909 0.00000000 0.00000000 1 Ir Ir3 1 2.44438909 2.44438909 2.44438909 1 Cd Cd4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdIrNb3
Pm-3m
221
cubic
m-3m
8,290.3941
false
[CIF] data_BeVPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05067000 _cell_length_b 4.05067000 _cell_length_c 2.67720492 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeVPt _chemical_formula_sum 'Be1 V1 Pt1' _cell_volume 38.04223051 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 2.02533500 1.16932771 0.00000000 1 V V2 1 -0.00000000 2.33865541 1.33860246 1 [/CIF]
BePtV
P-6m2
187
hexagonal
-6m2
11,132.366021
false
[CIF] data_Cs2PmMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41858927 _cell_length_b 6.41858927 _cell_length_c 6.41858927 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2PmMn _chemical_formula_sum 'Cs2 Pm1 Mn1' _cell_volume 186.98370458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26931400 2.26931400 2.26931400 1 Cs Cs1 1 6.80794200 6.80794200 6.80794200 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Pm Pm3 1 4.53862800 4.53862800 4.53862800 1 [/CIF]
Cs2MnPm
Fm-3m
225
cubic
m-3m
4,136.158958
false
[CIF] data_Al2SiP5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58648505 _cell_length_b 8.30830109 _cell_length_c 10.80519050 _cell_angle_alpha 108.82559284 _cell_angle_beta 93.77410454 _cell_angle_gamma 107.18224120 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2SiP5 _chemical_formula_sum 'Al8 Si4 P20' _cell_volume 605.99858383 _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 Al Al0 1 2.02864168 -0.21225017 7.00316870 1 Al Al1 1 2.39224270 4.28023861 3.06028818 1 Al Al2 1 5.83840624 -0.62338961 6.69442003 1 Al Al3 1 -1.41752186 4.69137805 3.36903685 1 Al Al4 1 3.94014476 0.58167797 3.25705181 1 Al Al5 1 0.48073962 3.48631046 6.80640507 1 Al Al6 1 0.47652209 -2.58739666 9.32344067 1 Al Al7 1 3.94436230 6.65538510 0.74001620 1 P P8 1 0.78532272 0.07708892 1.38586562 1 P P9 1 3.63556166 3.99089952 8.67759126 1 P P10 1 0.33272891 -1.95640634 6.86172560 1 P P11 1 4.08815547 6.02439478 3.20173127 1 P P12 1 6.07768699 -0.06675853 4.25518138 1 P P13 1 -1.65680260 4.13474696 5.80827549 1 P P14 1 5.74470959 -1.70617795 9.01344977 1 P P15 1 -1.32382521 5.77416639 1.05000710 1 P P16 1 4.39845755 0.19597534 0.88374219 1 P P17 1 0.02242683 3.87201310 9.17971468 1 P P18 1 3.72000781 -1.99684401 6.06198007 1 P P19 1 0.70087657 6.06483245 4.00147681 1 P P20 1 2.13206907 0.95940940 4.79061344 1 P P21 1 2.28881531 3.10857903 5.27284343 1 P P22 1 2.12912517 -0.77142391 9.47662128 1 P P23 1 2.29175921 4.83941234 0.58683559 1 P P24 1 0.28789164 3.14421723 2.59477843 1 P P25 1 4.13299275 0.92377121 7.46867845 1 P P26 1 4.48112455 2.95815336 2.66007939 1 P P27 1 -0.06024016 1.10983507 7.40337748 1 Si Si28 1 4.71908721 2.37281100 0.48887921 1 Si Si29 1 -0.29820283 1.69517744 9.57457766 1 Si Si30 1 0.32244815 1.05822117 3.39894645 1 Si Si31 1 4.09843623 3.00976726 6.66451043 1 [/CIF]
Al8P20Si4
P-1
2
triclinic
-1
2,596.775554
false
[CIF] data_NaTaVW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58673399 _cell_length_b 4.58673399 _cell_length_c 4.58673399 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTaVW _chemical_formula_sum 'Na1 Ta1 V1 W1' _cell_volume 68.23318821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 3.24331071 3.24331071 3.24331071 1 V V2 1 1.62165535 1.62165535 1.62165536 1 W W3 1 4.86496606 4.86496606 4.86496607 1 [/CIF]
NaTaVW
F-43m
216
cubic
-43m
10,676.773368
false
[CIF] data_BaTiNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87777156 _cell_length_b 4.87777156 _cell_length_c 4.87777156 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiNb _chemical_formula_sum 'Ba1 Ti1 Nb1' _cell_volume 82.06337514 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.44910535 3.44910535 3.44910535 1 Nb Nb1 1 1.72455267 1.72455267 1.72455267 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaNbTi
F-43m
216
cubic
-43m
5,627.316018
false
[CIF] data_TlFe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37971192 _cell_length_b 4.37971192 _cell_length_c 4.37971192 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlFe2Rh _chemical_formula_sum 'Tl1 Fe2 Rh1' _cell_volume 59.40481377 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.64538600 4.64538600 4.64538600 1 Fe Fe1 1 1.54846200 1.54846200 1.54846200 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.09692400 3.09692400 3.09692400 1 [/CIF]
Fe2RhTl
Fm-3m
225
cubic
m-3m
11,711.688352
false
[CIF] data_AuSeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88084654 _cell_length_b 2.88084654 _cell_length_c 11.58822626 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AuSeCl2 _chemical_formula_sum 'Au1 Se1 Cl2' _cell_volume 96.17389720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.79411313 1 Cl Cl1 1 1.44042327 1.44042327 7.88918065 1 Cl Cl2 1 1.44042327 1.44042327 3.69904561 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCl2Se
P4/mmm
123
tetragonal
4/mmm
5,988.413147
false
[CIF] data_KTa4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63876527 _cell_length_b 5.63876527 _cell_length_c 5.63876527 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTa4Au _chemical_formula_sum 'K1 Ta4 Au1' _cell_volume 126.77600171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.98081374 5.98081374 5.98081374 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.99520939 4.99520939 2.97920893 1 Ta Ta3 1 4.99520939 2.97920893 4.99520939 1 Ta Ta4 1 2.97920893 4.99520939 4.99520939 1 Ta Ta5 1 2.97920893 2.97920893 2.97920893 1 [/CIF]
AuKTa4
F-43m
216
cubic
-43m
12,572.403379
false
[CIF] data_TiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12980630 _cell_length_b 5.12980630 _cell_length_c 8.37397600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiOs2 _chemical_formula_sum 'Ti4 Os8' _cell_volume 190.83774508 _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 Ti Ti0 1 2.56490315 1.48084752 7.79502442 1 Ti Ti1 1 0.00000000 2.96169505 0.57895158 1 Ti Ti2 1 0.00000000 2.96169505 3.60803642 1 Ti Ti3 1 2.56490315 1.48084752 4.76593958 1 Os Os4 1 0.00000000 0.00000000 0.00000000 1 Os Os5 1 0.00000000 0.00000000 4.18698800 1 Os Os6 1 -0.00000000 1.54166001 6.28048200 1 Os Os7 1 1.22978642 3.67171257 6.28048200 1 Os Os8 1 -1.22978642 3.67171257 6.28048200 1 Os Os9 1 2.56490315 2.90088256 2.09349400 1 Os Os10 1 1.33511673 0.77083000 2.09349400 1 Os Os11 1 3.79468957 0.77083000 2.09349400 1 [/CIF]
Os8Ti4
P6_3/mmc
194
hexagonal
6/mmm
14,908.029624
false
[CIF] data_LaZr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44863553 _cell_length_b 5.44863553 _cell_length_c 5.44863553 _cell_angle_alpha 131.55280950 _cell_angle_beta 131.55280950 _cell_angle_gamma 70.93623931 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZr2Os _chemical_formula_sum 'La1 Zr2 Os1' _cell_volume 88.71185993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.43757858 1 Os Os1 1 -0.00000000 2.23556766 2.21878929 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 2.23556766 -0.00000000 2.21878929 1 [/CIF]
LaOsZr2
I-4m2
119
tetragonal
-42m
9,575.99512
false
[CIF] data_ZnHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.14310426 _cell_length_b 11.14310426 _cell_length_c 11.14310426 _cell_angle_alpha 157.88320308 _cell_angle_beta 157.88320308 _cell_angle_gamma 31.47845354 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnHg3 _chemical_formula_sum 'Zn2 Hg6' _cell_volume 195.98461352 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 2.13735231 -0.00000000 1 Hg Hg1 1 2.13735231 0.00000000 -0.00000000 1 Hg Hg2 1 -0.00000000 2.13735231 5.36265379 1 Hg Hg3 1 2.13735231 0.00000000 5.36265379 1 Hg Hg4 1 0.00000000 -0.00000000 2.67492153 1 Hg Hg5 1 0.00000000 0.00000000 18.77569363 1 Zn Zn6 1 0.00000000 -0.00000000 8.03065749 1 Zn Zn7 1 0.00000000 0.00000000 13.41995767 1 [/CIF]
Hg6Zn2
I4/mmm
139
tetragonal
4/mmm
11,305.26135
false
[CIF] data_ZrTaSnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70188748 _cell_length_b 4.70188748 _cell_length_c 4.70188748 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaSnOs _chemical_formula_sum 'Zr1 Ta1 Sn1 Os1' _cell_volume 73.50243028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 4.98710479 4.98710479 4.98710479 1 Sn Sn2 1 3.32473652 3.32473652 3.32473652 1 Ta Ta3 1 1.66236826 1.66236826 1.66236826 1 [/CIF]
OsSnTaZr
F-43m
216
cubic
-43m
13,128.259502
false
[CIF] data_YMg2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51038131 _cell_length_b 4.51038131 _cell_length_c 4.92221989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMg2Te _chemical_formula_sum 'Y1 Mg2 Te1' _cell_volume 100.13537506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.25519065 2.46110995 1 Mg Mg1 1 2.25519065 0.00000000 2.46110995 1 Te Te2 1 2.25519065 2.25519065 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2TeY
P4/mmm
123
tetragonal
4/mmm
4,396.400631
false
[CIF] data_VTeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60381268 _cell_length_b 4.60381268 _cell_length_c 3.04332070 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.84353468 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTeOs2 _chemical_formula_sum 'V1 Te1 Os2' _cell_volume 63.55385820 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.48204322 1.76134060 1.52166035 1 Os Os1 1 1.48204322 -1.76134060 1.52166035 1 Te Te2 1 2.96408644 -0.00000000 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2TeV
Cmmm
65
orthorhombic
mmm
14,605.62514
false
[CIF] data_BaZrFeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08734290 _cell_length_b 5.08734290 _cell_length_c 5.08734290 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrFeBi _chemical_formula_sum 'Ba1 Zr1 Fe1 Bi1' _cell_volume 93.10179081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.39594199 5.39594199 5.39594199 1 Bi Bi1 1 1.79864733 1.79864733 1.79864733 1 Fe Fe2 1 0.00000000 -0.00000000 0.00000000 1 Zr Zr3 1 3.59729466 3.59729466 3.59729466 1 [/CIF]
BaBiFeZr
F-43m
216
cubic
-43m
8,799.731773
false
[CIF] data_BaSrTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04133304 _cell_length_b 6.04133304 _cell_length_c 6.04133304 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrTe _chemical_formula_sum 'Ba1 Sr1 Te1' _cell_volume 155.91336158 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 6.40780134 6.40780134 6.40780134 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 4.27186756 4.27186756 4.27186756 1 [/CIF]
BaSrTe
F-43m
216
cubic
-43m
3,754.765213
false
[CIF] data_Mg2ReRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00607604 _cell_length_b 3.00607604 _cell_length_c 7.33414414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ReRu _chemical_formula_sum 'Mg2 Re1 Ru1' _cell_volume 66.27494334 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50303802 1.50303802 7.10164598 1 Mg Mg1 1 0.00000000 0.00000000 2.00618634 1 Re Re2 1 1.50303802 1.50303802 3.85992647 1 Ru Ru3 1 0.00000000 0.00000000 5.36760157 1 [/CIF]
Mg2ReRu
P4mm
99
tetragonal
4mm
8,415.751977
false
[CIF] data_HfMg2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92337862 _cell_length_b 3.92337862 _cell_length_c 4.71942349 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMg2Ir _chemical_formula_sum 'Hf1 Mg2 Ir1' _cell_volume 72.64561288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 1.96168931 1.96168931 0.00000000 1 Mg Mg2 1 1.96168931 0.00000000 2.35971175 1 Mg Mg3 1 0.00000000 1.96168931 2.35971175 1 [/CIF]
HfIrMg2
P4/mmm
123
tetragonal
4/mmm
9,584.780584
false
[CIF] data_Zr3Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35234417 _cell_length_b 4.35234417 _cell_length_c 4.35234417 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ge _chemical_formula_sum 'Zr3 Ge1' _cell_volume 82.44601939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zr Zr1 1 0.00000000 2.17617209 2.17617209 1 Zr Zr2 1 2.17617209 0.00000000 2.17617209 1 Zr Zr3 1 2.17617209 2.17617209 0.00000000 1 [/CIF]
GeZr3
Pm-3m
221
cubic
m-3m
6,975.043907
false
[CIF] data_CaNb2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69833882 _cell_length_b 5.69833882 _cell_length_c 5.13657090 _cell_angle_alpha 104.26595533 _cell_angle_beta 104.26595533 _cell_angle_gamma 36.23209196 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNb2Bi _chemical_formula_sum 'Ca1 Nb2 Bi1' _cell_volume 95.21125601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.74997034 -0.00000000 2.48045860 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.67339811 -0.00000000 3.41659420 1 Nb Nb3 1 7.82654257 0.00000000 1.54432301 1 [/CIF]
BiCaNb2
C2/m
12
monoclinic
2/m
7,584.403152
false
[CIF] data_CuSnHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18227845 _cell_length_b 3.18227845 _cell_length_c 8.81270095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSnHg2 _chemical_formula_sum 'Cu1 Sn1 Hg2' _cell_volume 89.24530717 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 6.63798466 1 Hg Hg1 1 1.59113923 1.59113923 8.39460765 1 Hg Hg2 1 0.00000000 0.00000000 2.13472734 1 Sn Sn3 1 1.59113923 1.59113923 4.86443273 1 [/CIF]
CuHg2Sn
P4mm
99
tetragonal
4mm
10,855.677475
false
[CIF] data_Nb2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49900534 _cell_length_b 4.49900534 _cell_length_c 3.25763175 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2Si _chemical_formula_sum 'Nb2 Si1' _cell_volume 57.10388258 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.24950267 1.29875097 1.62881587 1 Nb Nb1 1 -0.00000000 2.59750194 1.62881587 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2Si
P6/mmm
191
hexagonal
6/mmm
6,220.004685
false
[CIF] data_LaMgIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44869954 _cell_length_b 5.44869954 _cell_length_c 5.44869954 _cell_angle_alpha 135.86347494 _cell_angle_beta 135.86347494 _cell_angle_gamma 64.19147584 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMgIr2 _chemical_formula_sum 'La1 Mg1 Ir2' _cell_volume 77.37711416 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 2.04713624 -0.00000000 2.30796410 1 Ir Ir1 1 0.00000000 -0.00000000 4.61592819 1 La La2 1 -0.00000000 2.04713624 2.30796410 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2LaMg
I-4m2
119
tetragonal
-42m
11,752.635736
false
[CIF] data_BaSrMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11421974 _cell_length_b 4.11421974 _cell_length_c 9.44486187 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrMg2 _chemical_formula_sum 'Ba1 Sr1 Mg2' _cell_volume 159.87132633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.05710987 2.05710987 7.56229566 1 Mg Mg1 1 0.00000000 0.00000000 0.52271115 1 Mg Mg2 1 2.05710987 2.05710987 1.94552235 1 Sr Sr3 1 0.00000000 0.00000000 4.13676365 1 [/CIF]
BaMg2Sr
P4mm
99
tetragonal
4mm
2,841.360586
false
[CIF] data_La2CrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22224176 _cell_length_b 5.22224176 _cell_length_c 5.22224176 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2CrHg _chemical_formula_sum 'La2 Cr1 Hg1' _cell_volume 100.70613339 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 -0.00000000 0.00000000 1 Hg Hg1 1 1.84634128 1.84634128 1.84634128 1 La La2 1 3.69268256 3.69268256 3.69268256 1 La La3 1 5.53902384 5.53902384 5.53902384 1 [/CIF]
CrHgLa2
F-43m
216
cubic
-43m
8,745.693793
false
[CIF] data_SiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08729068 _cell_length_b 4.08729068 _cell_length_c 6.29597860 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPt2 _chemical_formula_sum 'Si2 Pt4' _cell_volume 91.08878824 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 0.00000000 0.00000000 3.14798930 1 Pt Pt2 1 2.04364534 1.17989919 1.57399465 1 Pt Pt3 1 0.00000000 2.35979837 4.72198395 1 Si Si4 1 0.00000000 2.35979837 1.57399465 1 Si Si5 1 2.04364534 1.17989919 4.72198395 1 [/CIF]
Pt4Si2
P6_3/mmc
194
hexagonal
6/mmm
15,249.434973
false
[CIF] data_ZrHg2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30460892 _cell_length_b 5.30460892 _cell_length_c 4.71439534 _cell_angle_alpha 104.42946069 _cell_angle_beta 104.42946069 _cell_angle_gamma 37.43830245 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrHg2Os _chemical_formula_sum 'Zr1 Hg2 Os1' _cell_volume 77.80225985 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52721693 -0.00000000 3.36903447 1 Hg Hg1 1 7.28042308 -0.00000000 1.17925908 1 Os Os2 1 4.40382001 -0.00000000 2.27414678 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2OsZr
C2/m
12
monoclinic
2/m
14,569.505145
false
[CIF] data_La3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.30491958 _cell_length_b 7.30491958 _cell_length_c 14.73783688 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3Pt _chemical_formula_sum 'La18 Pt6' _cell_volume 681.07549613 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.10258796 3.68445922 1 La La1 1 -1.63253641 3.27495195 3.68445922 1 La La2 1 1.63253641 3.27495195 3.68445922 1 La La3 1 3.65245979 0.22365797 11.05337766 1 La La4 1 5.28499620 3.05129398 11.05337766 1 La La5 1 2.01992338 3.05129398 11.05337766 1 La La6 1 3.65245979 4.19458510 6.10882528 1 La La7 1 1.84607243 1.06583041 6.10882528 1 La La8 1 5.45884715 1.06583041 6.10882528 1 La La9 1 3.65245979 4.19458510 1.26009316 1 La La10 1 1.84607243 1.06583041 1.26009316 1 La La11 1 5.45884715 1.06583041 1.26009316 1 La La12 1 -0.00000000 2.13166083 8.62901160 1 La La13 1 1.80638736 5.26041551 8.62901160 1 La La14 1 -1.80638736 5.26041551 8.62901160 1 La La15 1 -0.00000000 2.13166083 13.47774372 1 La La16 1 1.80638736 5.26041551 13.47774372 1 La La17 1 -1.80638736 5.26041551 13.47774372 1 Pt Pt18 1 0.00000000 0.00000000 3.68445922 1 Pt Pt19 1 0.00000000 0.00000000 11.05337766 1 Pt Pt20 1 3.65245979 2.10874864 13.57210980 1 Pt Pt21 1 3.65245979 2.10874864 8.53464552 1 Pt Pt22 1 -0.00000000 4.21749729 6.20319136 1 Pt Pt23 1 -0.00000000 4.21749729 1.16572708 1 [/CIF]
La18Pt6
P6_3/mmc
194
hexagonal
6/mmm
8,949.831443
false
[CIF] data_AgGePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63438035 _cell_length_b 8.63438035 _cell_length_c 8.63438035 _cell_angle_alpha 20.02692410 _cell_angle_beta 20.02692410 _cell_angle_gamma 20.02692410 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgGePd2 _chemical_formula_sum 'Ag1 Ge1 Pd2' _cell_volume 66.04595419 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.68783249 1 Ge Ge1 1 -0.00000000 -0.00000000 -0.00000000 1 Pd Pd2 1 0.00000000 0.00000000 6.55285592 1 Pd Pd3 1 0.00000000 0.00000000 18.82280906 1 [/CIF]
AgGePd2
R-3m
166
trigonal
-3m
9,889.630046
false
[CIF] data_Co2CuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91637900 _cell_length_b 2.91637900 _cell_length_c 6.48979308 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.91073797 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2CuSn _chemical_formula_sum 'Co2 Cu1 Sn1' _cell_volume 55.16672888 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.21946283 1 Co Co1 1 2.02752062 0.00000000 4.93659408 1 Cu Cu2 1 0.00000000 0.00000000 3.53781050 1 Sn Sn3 1 2.02752062 0.00000000 1.53061530 1 [/CIF]
Co2CuSn
Cmm2
35
orthorhombic
mm2
9,033.795613
false
[CIF] data_K2AgCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72105123 _cell_length_b 5.72105123 _cell_length_c 3.97050959 _cell_angle_alpha 91.14770781 _cell_angle_beta 91.14770781 _cell_angle_gamma 89.77912465 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AgCl _chemical_formula_sum 'K2 Ag1 Cl1' _cell_volume 129.90356119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.05318410 0.00000000 0.00000000 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 K K2 1 1.97046459 -2.01879455 1.98446121 1 K K3 1 1.97046459 2.01879455 1.98446121 1 [/CIF]
AgClK2
C2/m
12
monoclinic
2/m
2,831.631077
false
[CIF] data_SrRhCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59059808 _cell_length_b 3.59059808 _cell_length_c 7.60664740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRhCl2 _chemical_formula_sum 'Sr1 Rh1 Cl2' _cell_volume 98.06789965 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79529904 1.79529904 7.19491722 1 Cl Cl1 1 0.00000000 0.00000000 2.86790399 1 Rh Rh2 1 1.79529904 1.79529904 3.26769059 1 Sr Sr3 1 0.00000000 0.00000000 5.68610669 1 [/CIF]
Cl2RhSr
P4mm
99
tetragonal
4mm
4,426.700485
false
[CIF] data_Sr3HfAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03552004 _cell_length_b 6.03552004 _cell_length_c 6.03552004 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3HfAl _chemical_formula_sum 'Sr3 Hf1 Al1' _cell_volume 219.85891925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 3.01776002 0.00000000 3.01776002 1 Sr Sr1 1 3.01776002 3.01776002 0.00000000 1 Sr Sr2 1 0.00000000 3.01776002 3.01776002 1 Hf Hf3 1 3.01776002 3.01776002 3.01776002 1 Al Al4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlHfSr3
Pm-3m
221
cubic
m-3m
3,537.190206
false
[CIF] data_SrCaBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24713134 _cell_length_b 7.24713134 _cell_length_c 7.24713134 _cell_angle_alpha 150.23993658 _cell_angle_beta 150.23993658 _cell_angle_gamma 42.58931605 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaBe _chemical_formula_sum 'Sr1 Ca1 Be1' _cell_volume 93.54544221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.39077957 1 Ca Ca1 1 0.00000000 0.00000000 5.05439015 1 Sr Sr2 1 -0.00000000 -0.00000000 8.56416658 1 [/CIF]
BeCaSr
I4mm
107
tetragonal
4mm
2,426.762787
false
[CIF] data_HfSb2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53807206 _cell_length_b 4.53807206 _cell_length_c 6.14206281 _cell_angle_alpha 100.54509727 _cell_angle_beta 100.54509727 _cell_angle_gamma 41.54622401 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSb2Os _chemical_formula_sum 'Hf1 Sb2 Os1' _cell_volume 82.26867110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 3.64195806 -0.00000000 3.01162877 1 Sb Sb2 1 6.08236188 -0.00000000 1.66718246 1 Sb Sb3 1 1.20155425 -0.00000000 4.35607509 1 [/CIF]
HfOsSb2
C2/m
12
monoclinic
2/m
12,357.662091
false
[CIF] data_MnNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77349243 _cell_length_b 4.30709685 _cell_length_c 4.97912182 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.00974222 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNb _chemical_formula_sum 'Mn2 Nb2' _cell_volume 58.38436889 _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 Mn Mn0 1 0.90411338 3.23032264 4.22100245 1 Mn Mn1 1 0.91848677 1.07677421 0.66647726 1 Nb Nb2 1 1.79741118 1.07677421 3.16930631 1 Nb Nb3 1 0.02518897 3.23032264 1.71817341 1 [/CIF]
Mn2Nb2
P2_1/m
11
monoclinic
2/m
8,409.834624
false
[CIF] data_SrTlRe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45109668 _cell_length_b 5.45109668 _cell_length_c 5.45109668 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlRe4 _chemical_formula_sum 'Sr1 Tl1 Re4' _cell_volume 114.53458779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.89461590 2.89461590 4.81439896 1 Re Re1 1 2.89461590 4.81439896 2.89461590 1 Re Re2 1 4.81439896 2.89461590 2.89461590 1 Re Re3 1 4.81439896 4.81439896 4.81439896 1 Sr Sr4 1 0.00000000 0.00000000 0.00000000 1 Tl Tl5 1 1.92725372 1.92725372 1.92725372 1 [/CIF]
Re4SrTl
F-43m
216
cubic
-43m
15,032.130576
false
[CIF] data_InSnMoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93558508 _cell_length_b 4.93558508 _cell_length_c 4.93558508 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSnMoAu _chemical_formula_sum 'In1 Sn1 Mo1 Au1' _cell_volume 85.01605149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74499284 1.74499284 1.74499284 1 In In1 1 5.23497852 5.23497852 5.23497852 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.48998568 3.48998568 3.48998568 1 [/CIF]
AuInMoSn
F-43m
216
cubic
-43m
10,282.745003
false
[CIF] data_Ti5Te3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07926108 _cell_length_b 8.07926108 _cell_length_c 5.43811102 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Te3 _chemical_formula_sum 'Ti10 Te6' _cell_volume 307.41282776 _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 Te Te0 1 -1.53000809 2.65005174 4.07858326 1 Te Te1 1 -2.50962245 4.34679359 1.35952775 1 Te Te2 1 2.50962245 4.34679359 4.07858326 1 Te Te3 1 3.06001617 0.00000000 4.07858326 1 Te Te4 1 5.01924490 0.00000000 1.35952775 1 Te Te5 1 1.53000809 2.65005174 1.35952775 1 Ti Ti6 1 4.03963054 2.33228178 2.71905551 1 Ti Ti7 1 0.00000000 4.66456356 0.00000000 1 Ti Ti8 1 -0.00000000 4.66456356 2.71905551 1 Ti Ti9 1 4.03963054 2.33228178 0.00000000 1 Ti Ti10 1 -2.96548009 5.13636219 4.07858326 1 Ti Ti11 1 -1.07415044 1.86048314 1.35952775 1 Ti Ti12 1 1.07415044 1.86048314 4.07858326 1 Ti Ti13 1 5.93096019 0.00000000 4.07858326 1 Ti Ti14 1 2.14830089 0.00000000 1.35952775 1 Ti Ti15 1 2.96548009 5.13636219 1.35952775 1 [/CIF]
Te6Ti10
P6_3/mcm
193
hexagonal
6/mmm
6,721.121432
false
[CIF] data_CdReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77425570 _cell_length_b 4.77425570 _cell_length_c 4.77425570 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdReBi _chemical_formula_sum 'Cd1 Re1 Bi1' _cell_volume 76.94883123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.06386287 5.06386287 5.06386287 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.68795429 1.68795429 1.68795429 1 [/CIF]
BiCdRe
F-43m
216
cubic
-43m
10,953.863234
false
[CIF] data_NaBeTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15916926 _cell_length_b 5.15916926 _cell_length_c 5.15916926 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBeTl2 _chemical_formula_sum 'Na1 Be1 Tl2' _cell_volume 97.10114059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 5.47212536 5.47212536 5.47212536 1 Tl Tl2 1 3.64808357 3.64808357 3.64808357 1 Tl Tl3 1 1.82404179 1.82404179 1.82404178 1 [/CIF]
BeNaTl2
F-43m
216
cubic
-43m
7,537.639561
false
[CIF] data_Mn2PtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53358424 _cell_length_b 4.53358424 _cell_length_c 4.58572632 _cell_angle_alpha 99.68058471 _cell_angle_beta 99.68058471 _cell_angle_gamma 33.92081156 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2PtRh _chemical_formula_sum 'Mn2 Pt1 Rh1' _cell_volume 51.77795043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 1.56593661 0.00000000 3.41880823 1 Mn Mn1 1 6.30069176 0.00000000 1.09549827 1 Pt Pt2 1 3.93331418 0.00000000 2.25715325 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2PtRh
C2/m
12
monoclinic
2/m
13,080.408563
false
[CIF] data_CdBiRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84408925 _cell_length_b 4.84408925 _cell_length_c 4.84408925 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdBiRuAu _chemical_formula_sum 'Cd1 Bi1 Ru1 Au1' _cell_volume 80.37507882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42528836 3.42528836 3.42528836 1 Bi Bi1 1 5.13793254 5.13793254 5.13793254 1 Cd Cd2 1 1.71264418 1.71264418 1.71264418 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBiCdRu
F-43m
216
cubic
-43m
12,797.304296
false
[CIF] data_TcNiAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34198393 _cell_length_b 4.34198393 _cell_length_c 4.34198393 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcNiAgRu _chemical_formula_sum 'Tc1 Ni1 Ag1 Ru1' _cell_volume 57.88281410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53512314 1.53512314 1.53512314 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 3.07024628 3.07024628 3.07024628 1 Tc Tc3 1 4.60536942 4.60536942 4.60536942 1 [/CIF]
AgNiRuTc
F-43m
216
cubic
-43m
10,515.216748
false
[CIF] data_KBaZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64741056 _cell_length_b 6.64741056 _cell_length_c 6.64741056 _cell_angle_alpha 136.06823490 _cell_angle_beta 136.06823490 _cell_angle_gamma 63.87486064 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaZn2 _chemical_formula_sum 'K1 Ba1 Zn2' _cell_volume 139.50943226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.48649333 2.82058367 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 2.48649333 -0.00000000 2.82058367 1 Zn Zn3 1 0.00000000 -0.00000000 5.64116734 1 [/CIF]
BaKZn2
I-4m2
119
tetragonal
-42m
3,656.334794
false
[CIF] data_SrLaHfGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36665358 _cell_length_b 5.36665358 _cell_length_c 5.36665358 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaHfGa _chemical_formula_sum 'Sr1 La1 Hf1 Ga1' _cell_volume 109.29384112 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 5.69219571 5.69219571 5.69219571 1 La La2 1 1.89739857 1.89739857 1.89739857 1 Sr Sr3 1 3.79479714 3.79479714 3.79479714 1 [/CIF]
GaHfLaSr
F-43m
216
cubic
-43m
7,212.865499
false
[CIF] data_BaLiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82092417 _cell_length_b 4.82092417 _cell_length_c 6.53150951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiB _chemical_formula_sum 'Ba2 Li2 B2' _cell_volume 131.46338070 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 3.26575476 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Ba Ba2 1 0.00000000 2.78336187 4.89863213 1 Ba Ba3 1 2.41046209 1.39168093 1.63287738 1 Li Li4 1 2.41046209 1.39168093 4.89863213 1 Li Li5 1 -0.00000000 2.78336187 1.63287738 1 [/CIF]
B2Ba2Li2
P6_3/mmc
194
hexagonal
6/mmm
3,917.917511
false
[CIF] data_SrBeGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87956745 _cell_length_b 4.87956745 _cell_length_c 4.87956745 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeGa2 _chemical_formula_sum 'Sr1 Be1 Ga2' _cell_volume 82.15404997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.17556285 5.17556285 5.17556285 1 Ga Ga2 1 1.72518762 1.72518762 1.72518761 1 Sr Sr3 1 3.45037523 3.45037523 3.45037523 1 [/CIF]
BeGa2Sr
Fm-3m
225
cubic
m-3m
4,771.731207
false
[CIF] data_Be2CdCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00923795 _cell_length_b 4.00923795 _cell_length_c 4.00923795 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2CdCo _chemical_formula_sum 'Be2 Cd1 Co1' _cell_volume 45.56910512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41747967 1.41747967 1.41747967 1 Be Be1 1 4.25243901 4.25243901 4.25243901 1 Cd Cd2 1 2.83495934 2.83495934 2.83495934 1 Co Co3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2CdCo
Fm-3m
225
cubic
m-3m
6,900.953858
false
[CIF] data_MgTiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73474455 _cell_length_b 6.73474455 _cell_length_c 6.73474455 _cell_angle_alpha 147.90810362 _cell_angle_beta 147.90810362 _cell_angle_gamma 46.02104217 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiCl2 _chemical_formula_sum 'Mg1 Ti1 Cl2' _cell_volume 85.92455265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.19888173 1 Cl Cl1 1 0.00000000 1.86153827 3.09944087 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 1.86153827 -0.00000000 3.09944087 1 [/CIF]
Cl2MgTi
I-4m2
119
tetragonal
-42m
2,765.060757
false
[CIF] data_Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77586128 _cell_length_b 3.77586128 _cell_length_c 3.77586128 _cell_angle_alpha 97.28088453 _cell_angle_beta 97.28088453 _cell_angle_gamma 138.29091089 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn _chemical_formula_sum Zn2 _cell_volume 33.47116410 _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 Zn Zn0 1 -0.00000000 2.49502205 0.67209715 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Zn2
I4_1/amd
141
tetragonal
4/mmm
6,487.138832
false
[CIF] data_Cr3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23678662 _cell_length_b 5.23678662 _cell_length_c 4.20818494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3Ir _chemical_formula_sum 'Cr6 Ir2' _cell_volume 99.94364991 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 -0.00000000 1.47342680 3.15613871 1 Cr Cr1 1 2.61839331 3.06176344 1.05204623 1 Cr Cr2 1 1.34236827 3.79847684 3.15613871 1 Cr Cr3 1 1.27602504 0.73671340 1.05204623 1 Cr Cr4 1 -1.34236827 3.79847684 3.15613871 1 Cr Cr5 1 3.96076158 0.73671340 1.05204623 1 Ir Ir6 1 2.61839331 1.51173008 3.15613871 1 Ir Ir7 1 0.00000000 3.02346016 1.05204623 1 [/CIF]
Cr6Ir2
P6_3/mmc
194
hexagonal
6/mmm
11,570.690176
false
[CIF] data_NaH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71769546 _cell_length_b 3.71769546 _cell_length_c 3.71769546 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaH _chemical_formula_sum 'Na1 H1' _cell_volume 36.33343307 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy H H0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 3.94321151 3.94321151 3.94321151 1 [/CIF]
HNa
F-43m
216
cubic
-43m
1,096.762139
false
[CIF] data_ScTc2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59336873 _cell_length_b 5.59336873 _cell_length_c 4.19062216 _cell_angle_alpha 90.14275140 _cell_angle_beta 90.14275140 _cell_angle_gamma 32.19243217 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTc2Cl _chemical_formula_sum 'Sc1 Tc2 Cl1' _cell_volume 69.84884468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 5.36866108 -0.00000000 2.09530404 1 Tc Tc2 1 2.29812964 0.00000000 2.94304284 1 Tc Tc3 1 8.43919252 0.00000000 1.24756523 1 [/CIF]
ClScTc2
C2/m
12
monoclinic
2/m
6,614.2448
false
[CIF] data_NaMgCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74514726 _cell_length_b 5.74514726 _cell_length_c 3.00860393 _cell_angle_alpha 100.04748557 _cell_angle_beta 100.04748557 _cell_angle_gamma 116.16144638 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgCr2 _chemical_formula_sum 'Na1 Mg1 Cr2' _cell_volume 84.13877801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.02242030 2.43822283 1.42004688 1 Cr Cr1 1 1.02242030 -2.43822283 1.42004688 1 Mg Mg2 1 3.03759687 0.00000000 0.00000000 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2MgNa
C2/m
12
monoclinic
2/m
2,985.756731
false
[CIF] data_NbAl4Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28751238 _cell_length_b 5.28751238 _cell_length_c 5.28751238 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAl4Sb _chemical_formula_sum 'Nb1 Al4 Sb1' _cell_volume 104.52957726 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.79176895 2.79176895 4.68590277 1 Al Al1 1 2.79176895 4.68590277 2.79176895 1 Al Al2 1 4.68590277 2.79176895 2.79176895 1 Al Al3 1 4.68590277 4.68590277 4.68590277 1 Nb Nb4 1 0.00000000 0.00000000 0.00000000 1 Sb Sb5 1 1.86941793 1.86941793 1.86941793 1 [/CIF]
Al4NbSb
F-43m
216
cubic
-43m
5,124.650075
false
[CIF] data_BaTiSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09295826 _cell_length_b 5.09295826 _cell_length_c 5.09295826 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiSnPt _chemical_formula_sum 'Ba1 Ti1 Sn1 Pt1' _cell_volume 93.41042587 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.40189798 5.40189798 5.40189798 1 Pt Pt1 1 3.60126532 3.60126532 3.60126532 1 Sn Sn2 1 1.80063266 1.80063266 1.80063266 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaPtSnTi
F-43m
216
cubic
-43m
8,870.413126
false
[CIF] data_Rh3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82138996 _cell_length_b 6.82138996 _cell_length_c 2.69217466 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rh3C _chemical_formula_sum 'Rh6 C2' _cell_volume 108.48747943 _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 C C0 1 0.00000000 3.93833133 0.67304367 1 C C1 1 3.41069498 1.96916566 2.01913100 1 Rh Rh2 1 0.00000000 2.32720932 2.01913100 1 Rh Rh3 1 1.39527259 4.74389233 2.01913100 1 Rh Rh4 1 -1.39527259 4.74389233 2.01913100 1 Rh Rh5 1 3.41069498 3.58028767 0.67304367 1 Rh Rh6 1 2.01542239 1.16360466 0.67304367 1 Rh Rh7 1 4.80596756 1.16360466 0.67304367 1 [/CIF]
C2Rh6
P6_3/mmc
194
hexagonal
6/mmm
9,818.277564
false
[CIF] data_Mn2CoSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33582230 _cell_length_b 4.33582230 _cell_length_c 4.33582230 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CoSb _chemical_formula_sum 'Mn2 Co1 Sb1' _cell_volume 57.63674232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 1.53294467 1.53294467 1.53294467 1 Mn Mn2 1 4.59883402 4.59883403 4.59883403 1 Sb Sb3 1 3.06588935 3.06588935 3.06588935 1 [/CIF]
CoMn2Sb
Fm-3m
225
cubic
m-3m
8,371.424717
false
[CIF] data_KPdPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37089081 _cell_length_b 4.37089081 _cell_length_c 4.43412435 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPdPt2 _chemical_formula_sum 'K1 Pd1 Pt2' _cell_volume 84.71255549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.18544540 2.18544540 0.00000000 1 Pt Pt2 1 2.18544540 0.00000000 2.21706218 1 Pt Pt3 1 0.00000000 2.18544540 2.21706218 1 [/CIF]
KPdPt2
P4/mmm
123
tetragonal
4/mmm
10,500.545326
false
[CIF] data_BaTlCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82379454 _cell_length_b 3.82379454 _cell_length_c 10.27883535 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTlCl2 _chemical_formula_sum 'Ba1 Tl1 Cl2' _cell_volume 150.29101133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 1.91189727 1.91189727 1.70345156 1 Cl Cl2 1 1.91189727 1.91189727 8.57538379 1 Tl Tl3 1 0.00000000 0.00000000 5.13941767 1 [/CIF]
BaCl2Tl
P4/mmm
123
tetragonal
4/mmm
4,558.925245
false
[CIF] data_Co2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62978819 _cell_length_b 2.62978819 _cell_length_c 6.25765102 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2Ir _chemical_formula_sum 'Co2 Ir1' _cell_volume 37.47861310 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.31489409 0.75915446 2.15968057 1 Co Co1 1 0.00000000 1.51830892 4.09797045 1 Ir Ir2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2Ir
P-3m1
164
trigonal
-3m
13,738.650936
false
[CIF] data_SmCrPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69698649 _cell_length_b 4.69698649 _cell_length_c 4.69698649 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmCrPd2 _chemical_formula_sum 'Sm1 Cr1 Pd2' _cell_volume 73.27282501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 4.98190650 4.98190650 4.98190650 1 Pd Pd2 1 1.66063550 1.66063550 1.66063550 1 Sm Sm3 1 3.32127100 3.32127100 3.32127100 1 [/CIF]
CrPd2Sm
Fm-3m
225
cubic
m-3m
9,409.345747
false
[CIF] data_SrCu2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52483974 _cell_length_b 3.52483974 _cell_length_c 6.65336020 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCu2Ag _chemical_formula_sum 'Sr1 Cu2 Ag1' _cell_volume 82.66464159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.32668010 1 Cu Cu1 1 1.76241987 1.76241987 4.56506697 1 Cu Cu2 1 1.76241987 1.76241987 2.08829323 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCu2Sr
P4/mmm
123
tetragonal
4/mmm
6,480.839057
false
[CIF] data_SbP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.98139862 _cell_length_b 6.66531441 _cell_length_c 2.67175599 _cell_angle_alpha 85.45101417 _cell_angle_beta 72.12292613 _cell_angle_gamma 22.42605970 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbP2 _chemical_formula_sum 'Sb1 P2' _cell_volume 37.30210009 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 1.18843795 2.39288431 4.21694652 1 P P1 1 1.18843795 2.39288431 8.90007012 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P2Sb
Fmmm
69
orthorhombic
mmm
8,177.918125
false
[CIF] data_ScSi2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63928283 _cell_length_b 4.63928283 _cell_length_c 4.63928283 _cell_angle_alpha 126.64769467 _cell_angle_beta 126.64769467 _cell_angle_gamma 78.82619122 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSi2Mo _chemical_formula_sum 'Sc1 Si2 Mo1' _cell_volume 62.19438210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 -0.00000000 3.58425646 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 2.08279269 -0.00000000 1.79212823 1 Si Si3 1 -0.00000000 2.08279269 1.79212823 1 [/CIF]
MoScSi2
I4/mmm
139
tetragonal
4/mmm
5,262.059141
false
[CIF] data_BeSnCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62540451 _cell_length_b 3.62540451 _cell_length_c 8.58170840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 124.54263825 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSnCl2 _chemical_formula_sum 'Be1 Sn1 Cl2' _cell_volume 92.90906905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00192214 1 Cl Cl1 1 1.68684704 0.00000000 0.78541246 1 Cl Cl2 1 0.00000000 0.00000000 6.07483056 1 Sn Sn3 1 1.68684704 0.00000000 4.01039745 1 [/CIF]
BeCl2Sn
Cmm2
35
orthorhombic
mm2
3,550.028639
false
[CIF] data_NaMn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00438646 _cell_length_b 6.00438646 _cell_length_c 4.59379697 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMn3 _chemical_formula_sum 'Na2 Mn6' _cell_volume 143.42990211 _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 Mn Mn0 1 1.64002195 4.41350125 3.44534773 1 Mn Mn1 1 -1.64002195 4.41350125 3.44534773 1 Mn Mn2 1 0.00000000 1.57289991 3.44534773 1 Mn Mn3 1 1.36217128 0.78644995 1.14844924 1 Mn Mn4 1 4.64221518 0.78644995 1.14844924 1 Mn Mn5 1 3.00219323 3.62705130 1.14844924 1 Na Na6 1 3.00219323 1.73331707 3.44534773 1 Na Na7 1 0.00000000 3.46663414 1.14844924 1 [/CIF]
Mn6Na2
P6_3/mmc
194
hexagonal
6/mmm
4,348.545393
false
[CIF] data_LiCo2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10246651 _cell_length_b 3.10246651 _cell_length_c 6.81826887 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCo2Pb _chemical_formula_sum 'Li1 Co2 Pb1' _cell_volume 65.62787276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.45239009 1 Co Co1 1 1.55123326 1.55123326 1.41590640 1 Li Li2 1 0.00000000 0.00000000 3.06174180 1 Pb Pb3 1 1.55123326 1.55123326 5.29736502 1 [/CIF]
Co2LiPb
P4mm
99
tetragonal
4mm
8,400.568867
false
[CIF] data_ScCoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19398335 _cell_length_b 4.19398335 _cell_length_c 4.19398335 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCoPt _chemical_formula_sum 'Sc1 Co1 Pt1' _cell_volume 52.16330615 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.48279704 1.48279704 1.48279703 1 Pt Pt1 1 2.96559407 2.96559407 2.96559407 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoPtSc
F-43m
216
cubic
-43m
9,517.351577
false
[CIF] data_Cs2LuMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72740967 _cell_length_b 6.72740967 _cell_length_c 6.72740967 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2LuMg _chemical_formula_sum 'Cs2 Lu1 Mg1' _cell_volume 215.29236486 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.13549550 7.13549550 7.13549550 1 Cs Cs1 1 2.37849850 2.37849850 2.37849850 1 Lu Lu2 1 4.75699700 4.75699700 4.75699700 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cs2LuMg
Fm-3m
225
cubic
m-3m
3,587.159254
false
[CIF] data_AgHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38789796 _cell_length_b 5.38789796 _cell_length_c 5.38789796 _cell_angle_alpha 143.88816103 _cell_angle_beta 133.50016481 _cell_angle_gamma 60.24945356 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHg2 _chemical_formula_sum 'Ag1 Hg2' _cell_volume 66.20642613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 -0.00000000 -0.00000000 6.18748563 1 Hg Hg2 1 0.00000000 -0.00000000 3.13287641 1 [/CIF]
AgHg2
Immm
71
orthorhombic
mmm
12,767.558562
false
[CIF] data_LiLaOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86595816 _cell_length_b 4.86595816 _cell_length_c 4.86595816 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaOsAu _chemical_formula_sum 'Li1 La1 Os1 Au1' _cell_volume 81.46857359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.16112802 5.16112802 5.16112802 1 La La1 1 3.44075201 3.44075201 3.44075201 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 1.72037601 1.72037600 1.72037601 1 [/CIF]
AuLaLiOs
F-43m
216
cubic
-43m
10,864.78812
false
[CIF] data_TiCrTcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23642802 _cell_length_b 4.23642802 _cell_length_c 4.23642802 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrTcNi _chemical_formula_sum 'Ti1 Cr1 Tc1 Ni1' _cell_volume 53.76312413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 2.99560698 2.99560698 2.99560698 1 Ni Ni1 1 4.49341047 4.49341047 4.49341047 1 Tc Tc2 1 1.49780349 1.49780349 1.49780349 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrNiTcTi
F-43m
216
cubic
-43m
7,952.046658
false
[CIF] data_K2HgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13319534 _cell_length_b 4.13319534 _cell_length_c 8.33063471 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2HgAu _chemical_formula_sum 'K2 Hg1 Au1' _cell_volume 142.31476292 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Hg Hg1 1 0.00000000 0.00000000 4.16531735 1 K K2 1 2.06659767 2.06659767 6.44581411 1 K K3 1 2.06659767 2.06659767 1.88482060 1 [/CIF]
AuHgK2
P4/mmm
123
tetragonal
4/mmm
5,551.202764
false
[CIF] data_NbCr2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.65393502 _cell_length_b 2.65393502 _cell_length_c 8.86283522 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.67189964 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCr2Ag _chemical_formula_sum 'Nb1 Cr2 Ag1' _cell_volume 59.47846729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.43141761 1 Cr Cr1 1 1.56608501 0.00000000 6.69769864 1 Cr Cr2 1 1.56608501 0.00000000 2.16513658 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCr2Nb
Cmmm
65
orthorhombic
mmm
8,508.57743
false
[CIF] data_NbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47281398 _cell_length_b 3.47281398 _cell_length_c 25.76593740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSe2 _chemical_formula_sum 'Nb4 Se8' _cell_volume 269.11606276 _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 Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 6.43641748 1 Nb Nb2 1 -0.00000002 2.00503009 12.88296870 1 Nb Nb3 1 0.00000000 0.00000000 19.32951992 1 Se Se4 1 -0.00000002 2.00503009 1.68176412 1 Se Se5 1 1.73640697 1.00251505 4.75366240 1 Se Se6 1 -0.00000002 2.00503009 8.12332706 1 Se Se7 1 1.73640697 1.00251505 11.20186986 1 Se Se8 1 1.73640697 1.00251505 14.56406754 1 Se Se9 1 -0.00000002 2.00503009 17.64261034 1 Se Se10 1 1.73640697 1.00251505 21.01227500 1 Se Se11 1 -0.00000002 2.00503009 24.08417328 1 [/CIF]
Nb4Se8
P-6m2
187
hexagonal
-6m2
6,190.791784
false
[CIF] data_Ba3CoTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56135024 _cell_length_b 6.56135024 _cell_length_c 6.56135024 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3CoTe _chemical_formula_sum 'Ba3 Co1 Te1' _cell_volume 282.47476895 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 3.28067512 3.28067512 3.28067512 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Ba Ba2 1 3.28067512 0.00000000 3.28067512 1 Ba Ba3 1 3.28067512 3.28067512 0.00000000 1 Ba Ba4 1 0.00000000 3.28067512 3.28067512 1 [/CIF]
Ba3CoTe
Pm-3m
221
cubic
m-3m
3,518.389293
false
[CIF] data_AlSbPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67208891 _cell_length_b 3.67208891 _cell_length_c 5.62808479 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.17261744 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSbPt2 _chemical_formula_sum 'Al1 Sb1 Pt2' _cell_volume 75.87453573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.94333956 1 Pt Pt1 1 2.56985285 -0.00000000 0.15832016 1 Pt Pt2 1 0.00000000 0.00000000 4.20500273 1 Sb Sb3 1 2.56985285 -0.00000000 3.13546474 1 [/CIF]
AlPt2Sb
Cmm2
35
orthorhombic
mm2
11,794.211768
false
[CIF] data_Tl2AgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35501084 _cell_length_b 5.35501084 _cell_length_c 5.35501084 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2AgSb _chemical_formula_sum 'Tl2 Ag1 Sb1' _cell_volume 108.58405740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.89328224 1.89328224 1.89328224 1 Tl Tl2 1 3.78656448 3.78656448 3.78656448 1 Tl Tl3 1 5.67984672 5.67984672 5.67984672 1 [/CIF]
AgSbTl2
F-43m
216
cubic
-43m
9,762.754595
false