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_BaMgTiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45309607 _cell_length_b 5.45309607 _cell_length_c 5.45309607 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgTiSn _chemical_formula_sum 'Ba1 Mg1 Ti1 Sn1' _cell_volume 114.66066313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.85592121 3.85592121 3.85592121 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 5.78388182 5.78388182 5.78388181 1 Ti Ti3 1 1.92796061 1.92796061 1.92796061 1 [/CIF]
BaMgSnTi
F-43m
216
cubic
-43m
4,753.189556
false
[CIF] data_NbFeSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84651670 _cell_length_b 2.84651670 _cell_length_c 6.46251485 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.10394843 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFeSi2 _chemical_formula_sum 'Nb1 Fe1 Si2' _cell_volume 52.06667431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 0.00000000 3.23125742 1 Si Si2 1 1.90277176 0.00000000 5.12151878 1 Si Si3 1 1.90277176 0.00000000 1.34099607 1 [/CIF]
FeNbSi2
Cmmm
65
orthorhombic
mmm
6,535.497458
false
[CIF] data_CdRe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79826856 _cell_length_b 3.95474734 _cell_length_c 5.89156735 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdRe2Pd _chemical_formula_sum 'Cd1 Re2 Pd1' _cell_volume 65.19870689 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39913428 1.97737367 3.01855437 1 Pd Pd1 1 0.00000000 0.00000000 4.41711766 1 Re Re2 1 1.39913428 1.97737367 0.14993968 1 Re Re3 1 0.00000000 0.00000000 1.25173925 1 [/CIF]
CdPdRe2
Pmm2
25
orthorhombic
mm2
15,058.357247
false
[CIF] data_TaTcSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41867857 _cell_length_b 4.41867857 _cell_length_c 4.41867857 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTcSb _chemical_formula_sum 'Ta1 Tc1 Sb1' _cell_volume 61.00455082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.68671637 4.68671637 4.68671637 1 Ta Ta1 1 1.56223879 1.56223879 1.56223879 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SbTaTc
F-43m
216
cubic
-43m
10,931.903613
false
[CIF] data_NbAlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20773460 _cell_length_b 4.20773460 _cell_length_c 4.20773460 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlCr _chemical_formula_sum 'Nb1 Al1 Cr1' _cell_volume 52.67809002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 4.46297651 4.46297651 4.46297651 1 Nb Nb2 1 2.97531767 2.97531767 2.97531767 1 [/CIF]
AlCrNb
F-43m
216
cubic
-43m
5,418.194314
false
[CIF] data_HfTi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65146499 _cell_length_b 5.65146499 _cell_length_c 10.40311924 _cell_angle_alpha 117.80684395 _cell_angle_beta 117.80684395 _cell_angle_gamma 31.00453500 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTi3 _chemical_formula_sum 'Hf2 Ti6' _cell_volume 149.75986165 _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 Hf Hf0 1 1.85719705 -0.00000000 8.85650773 1 Hf Hf1 1 3.99833863 0.00000000 0.24633012 1 Ti Ti2 1 0.22463171 -0.00000000 2.20627434 1 Ti Ti3 1 4.39797536 0.00000000 4.35484565 1 Ti Ti4 1 -2.30254188 0.00000000 6.54735198 1 Ti Ti5 1 8.15807755 -0.00000000 2.55548587 1 Ti Ti6 1 1.45756032 0.00000000 4.74799221 1 Ti Ti7 1 5.63090396 0.00000000 6.89656351 1 [/CIF]
Hf2Ti6
C2/m
12
monoclinic
2/m
7,142.697417
false
[CIF] data_Ta2RePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81514955 _cell_length_b 3.98885684 _cell_length_c 5.91092997 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2RePt _chemical_formula_sum 'Ta2 Re1 Pt1' _cell_volume 66.37518351 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95546498 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.40757478 1.99442842 1.46381899 1 Ta Ta3 1 1.40757478 1.99442842 4.44711098 1 [/CIF]
PtReTa2
Pmmm
47
orthorhombic
mmm
18,592.651403
false
[CIF] data_Ca2ZnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90656083 _cell_length_b 5.90656083 _cell_length_c 5.20623186 _cell_angle_alpha 107.95369772 _cell_angle_beta 107.95369772 _cell_angle_gamma 35.25166398 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ZnAu _chemical_formula_sum 'Ca2 Zn1 Au1' _cell_volume 99.19786462 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.36960335 0.00000000 1.16940562 1 Ca Ca1 1 0.19907858 0.00000000 0.27860983 1 Ca Ca2 1 1.40134999 0.00000000 3.44962862 1 Zn Zn3 1 4.39199313 0.00000000 2.49196206 1 [/CIF]
AuCa2Zn
Cm
8
monoclinic
m
5,733.378419
false
[CIF] data_BIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96201608 _cell_length_b 3.96201608 _cell_length_c 3.96201608 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BIrOs _chemical_formula_sum 'B1 Ir1 Os1' _cell_volume 43.97782075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.20235266 4.20235266 4.20235266 1 Os Os2 1 2.80156844 2.80156844 2.80156844 1 [/CIF]
BIrOs
F-43m
216
cubic
-43m
14,848.854742
false
[CIF] data_Mg2TaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74519051 _cell_length_b 4.74519051 _cell_length_c 4.74519051 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TaAg _chemical_formula_sum 'Mg2 Ta1 Ag1' _cell_volume 75.55199952 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35535639 3.35535639 3.35535639 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 5.03303459 5.03303459 5.03303459 1 Ta Ta3 1 1.67767819 1.67767819 1.67767819 1 [/CIF]
AgMg2Ta
F-43m
216
cubic
-43m
7,416.205945
false
[CIF] data_Ta2TlAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79868583 _cell_length_b 5.79868583 _cell_length_c 5.79868583 _cell_angle_alpha 148.99584729 _cell_angle_beta 128.14872157 _cell_angle_gamma 61.65140604 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TlAu _chemical_formula_sum 'Ta2 Tl1 Au1' _cell_volume 78.26100149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.60691829 1 Ta Ta1 1 -0.00000000 2.53521030 4.97702571 1 Ta Ta2 1 0.00000000 0.00000000 2.29765924 1 Tl Tl3 1 -0.00000000 2.53521030 0.05691506 1 [/CIF]
AuTa2Tl
Imm2
44
orthorhombic
mm2
16,194.517834
false
[CIF] data_Li2ZrSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88766917 _cell_length_b 4.88766917 _cell_length_c 5.98999103 _cell_angle_alpha 96.94268022 _cell_angle_beta 96.94268022 _cell_angle_gamma 36.61931124 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZrSn _chemical_formula_sum 'Li2 Zr1 Sn1' _cell_volume 84.66187489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.50018761 -0.00000000 5.71340252 1 Li Li1 1 1.69448899 -0.00000000 4.48492562 1 Sn Sn2 1 4.28577928 -0.00000000 3.08169424 1 Zr Zr3 1 6.81398987 -0.00000000 1.57307975 1 [/CIF]
Li2SnZr
Cm
8
monoclinic
m
4,389.876933
false
[CIF] data_BSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54650475 _cell_length_b 3.54650475 _cell_length_c 3.54650475 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BSb _chemical_formula_sum 'B1 Sb1' _cell_volume 31.54181217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 2.50775756 2.50775756 2.50775756 1 [/CIF]
B2Sb2
Fm-3m
225
cubic
m-3m
6,979.308783
false
[CIF] data_V2CN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92485400 _cell_length_b 2.92485400 _cell_length_c 4.15490200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CN _chemical_formula_sum 'V2 C1 N1' _cell_volume 35.54423481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 0.00000000 0.00000000 2.07745100 1 V V1 1 1.46242700 1.46242700 0.00000000 1 C C2 1 0.00000000 0.00000000 0.00000000 1 N N3 1 1.46242700 1.46242700 2.07745100 1 [/CIF]
CNV2
P4/mmm
123
tetragonal
4/mmm
5,975.191532
false
[CIF] data_YTl4Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25671799 _cell_length_b 6.25671799 _cell_length_c 6.25671799 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTl4Ge _chemical_formula_sum 'Y1 Tl4 Ge1' _cell_volume 173.19077026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 3.31710189 5.53123355 5.53123355 1 Tl Tl2 1 5.53123355 5.53123355 3.31710189 1 Tl Tl3 1 5.53123355 3.31710189 5.53123355 1 Tl Tl4 1 3.31710189 3.31710189 3.31710189 1 Y Y5 1 6.63625158 6.63625158 6.63625158 1 [/CIF]
GeTl4Y
F-43m
216
cubic
-43m
9,387.330568
false
[CIF] data_NaVBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96409190 _cell_length_b 5.96409190 _cell_length_c 5.96409190 _cell_angle_alpha 145.09562642 _cell_angle_beta 140.52058224 _cell_angle_gamma 53.70369308 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaVBi _chemical_formula_sum 'Na1 V1 Bi1' _cell_volume 76.68797304 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.32824033 1 Na Na1 1 -0.00000000 0.00000000 7.06539074 1 V V2 1 0.00000000 0.00000000 3.89048222 1 [/CIF]
BiNaV
Imm2
44
orthorhombic
mm2
6,125.939448
false
[CIF] data_GaRuPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38355317 _cell_length_b 5.38355317 _cell_length_c 5.38355317 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRuPb3 _chemical_formula_sum 'Ga1 Ru1 Pb3' _cell_volume 156.02960893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.00000000 2.69177658 0.00000000 1 Pb Pb1 1 0.00000000 0.00000000 2.69177658 1 Pb Pb2 1 2.69177658 0.00000000 0.00000000 1 Ru Ru3 1 2.69177658 2.69177658 2.69177658 1 Ga Ga4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaPb3Ru
Pm-3m
221
cubic
m-3m
8,433.011796
false
[CIF] data_LiMgWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54589767 _cell_length_b 4.54589767 _cell_length_c 4.54589767 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgWAu _chemical_formula_sum 'Li1 Mg1 W1 Au1' _cell_volume 66.42689744 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.21443507 3.21443507 3.21443507 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.60721754 1.60721754 1.60721754 1 W W3 1 4.82165261 4.82165261 4.82165261 1 [/CIF]
AuLiMgW
F-43m
216
cubic
-43m
10,300.486921
false
[CIF] data_BRu2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72217414 _cell_length_b 2.72217414 _cell_length_c 6.46311756 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BRu2Rh _chemical_formula_sum 'B1 Ru2 Rh1' _cell_volume 47.89320088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 0.00000000 0.00000000 3.23155878 1 Ru Ru2 1 1.36108707 1.36108707 5.17768194 1 Ru Ru3 1 1.36108707 1.36108707 1.28543562 1 [/CIF]
BRhRu2
P4/mmm
123
tetragonal
4/mmm
10,951.284276
false
[CIF] data_LiBiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43421372 _cell_length_b 4.43421372 _cell_length_c 4.43421372 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBiRu _chemical_formula_sum 'Li1 Bi1 Ru1' _cell_volume 61.65025341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.13546259 3.13546259 3.13546259 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.70319389 4.70319389 4.70319389 1 [/CIF]
BiLiRu
F-43m
216
cubic
-43m
8,538.109325
false
[CIF] data_LiNi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13203049 _cell_length_b 4.13203049 _cell_length_c 4.13203049 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNi2Pt _chemical_formula_sum 'Li1 Ni2 Pt1' _cell_volume 49.88564075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46089339 1.46089339 1.46089339 1 Ni Ni2 1 4.38268017 4.38268017 4.38268017 1 Pt Pt3 1 2.92178678 2.92178678 2.92178678 1 [/CIF]
LiNi2Pt
Fm-3m
225
cubic
m-3m
10,632.233329
false
[CIF] data_Ti4AgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22864078 _cell_length_b 5.22864078 _cell_length_c 5.22864078 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4AgMo _chemical_formula_sum 'Ti4 Ag1 Mo1' _cell_volume 101.07678482 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.54581102 5.54581102 5.54581102 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 4.63745300 4.63745300 2.75696170 1 Ti Ti3 1 4.63745300 2.75696170 4.63745300 1 Ti Ti4 1 2.75696170 4.63745300 4.63745300 1 Ti Ti5 1 2.75696170 2.75696170 2.75696170 1 [/CIF]
AgMoTi4
F-43m
216
cubic
-43m
6,494.12013
false
[CIF] data_MnTcW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73939586 _cell_length_b 3.81552388 _cell_length_c 5.61608847 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTcW2 _chemical_formula_sum 'Mn1 Tc1 W2' _cell_volume 58.70065019 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.82903240 1 Tc Tc1 1 1.36969793 1.90776194 4.14035879 1 W W2 1 0.00000000 0.00000000 5.55719951 1 W W3 1 1.36969793 1.90776194 1.51363042 1 [/CIF]
MnTcW2
Pmm2
25
orthorhombic
mm2
14,753.011767
false
[CIF] data_HgSbPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41655815 _cell_length_b 3.41655815 _cell_length_c 10.70831341 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.28088453 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgSbPb2 _chemical_formula_sum 'Hg1 Sb1 Pb2' _cell_volume 117.98582426 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.35415670 1 Pb Pb1 1 1.97718157 0.00000000 8.03824054 1 Pb Pb2 1 1.97718157 0.00000000 2.67007287 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgPb2Sb
Cmmm
65
orthorhombic
mmm
10,369.060563
false
[CIF] data_TaCrBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50037447 _cell_length_b 5.50037447 _cell_length_c 5.50037447 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCrBi3 _chemical_formula_sum 'Ta1 Cr1 Bi3' _cell_volume 166.40898547 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 2.75018723 0.00000000 2.75018723 1 Bi Bi2 1 2.75018723 2.75018723 0.00000000 1 Bi Bi3 1 0.00000000 2.75018723 2.75018723 1 Ta Ta4 1 2.75018723 2.75018723 2.75018723 1 [/CIF]
Bi3CrTa
Pm-3m
221
cubic
m-3m
8,580.503812
false
[CIF] data_NpNb2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64631805 _cell_length_b 4.64631805 _cell_length_c 4.64631805 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpNb2Zn _chemical_formula_sum 'Np1 Nb2 Zn1' _cell_volume 70.92703519 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64272150 1.64272150 1.64272150 1 Nb Nb1 1 4.92816450 4.92816450 4.92816450 1 Np Np2 1 3.28544300 3.28544300 3.28544300 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2NpZn
Fm-3m
225
cubic
m-3m
11,429.536675
false
[CIF] data_LaSn2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36556983 _cell_length_b 5.36556983 _cell_length_c 5.36556983 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSn2Ge _chemical_formula_sum 'La1 Sn2 Ge1' _cell_volume 109.22764135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89701541 1.89701541 1.89701540 1 Sn Sn2 1 3.79403081 3.79403081 3.79403081 1 Sn Sn3 1 5.69104622 5.69104622 5.69104622 1 [/CIF]
GeLaSn2
F-43m
216
cubic
-43m
6,825.421599
false
[CIF] data_Tc3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44904790 _cell_length_b 5.57624182 _cell_length_c 4.86748005 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc3Au _chemical_formula_sum 'Tc6 Au2' _cell_volume 120.75715173 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.22452395 0.00000000 1.64876030 1 Au Au1 1 0.00000000 2.78812091 3.21871975 1 Tc Tc2 1 0.00000000 0.00000000 3.32233428 1 Tc Tc3 1 2.22452395 1.38725828 4.06851245 1 Tc Tc4 1 0.00000000 1.40086263 0.79896760 1 Tc Tc5 1 2.22452395 2.78812091 1.54514577 1 Tc Tc6 1 2.22452395 4.18898354 4.06851245 1 Tc Tc7 1 0.00000000 4.17537919 0.79896760 1 [/CIF]
Au2Tc6
Pmmn
59
orthorhombic
mmm
13,577.390622
false
[CIF] data_B2RhAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01751903 _cell_length_b 5.01751903 _cell_length_c 5.01751903 _cell_angle_alpha 133.38178747 _cell_angle_beta 133.38178747 _cell_angle_gamma 68.05520673 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2RhAu2 _chemical_formula_sum 'B2 Rh1 Au2' _cell_volume 65.56521124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98538948 2.07917979 1 Au Au1 1 1.98538948 -0.00000000 2.07917979 1 B B2 1 0.00000000 -0.00000000 4.98241388 1 B B3 1 0.00000000 -0.00000000 3.33430528 1 Rh Rh4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2B2Rh
I4/mmm
139
tetragonal
4/mmm
13,130.80714
false
[CIF] data_Ga2HgS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.55861392 _cell_length_b 6.55861392 _cell_length_c 6.55861392 _cell_angle_alpha 128.98983843 _cell_angle_beta 128.98983843 _cell_angle_gamma 75.02692470 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2HgS4 _chemical_formula_sum 'Ga2 Hg1 S4' _cell_volume 165.96430478 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 -0.00000000 2.82408100 2.60118000 1 Ga Ga1 1 -0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 0.00000000 -0.00000000 5.20236000 1 S S3 1 1.27946119 4.34510279 1.42072290 1 S S4 1 1.52102179 1.54461981 3.78163710 1 S S5 1 1.30305921 1.27946119 -1.42072290 1 S S6 1 1.54461981 -1.52102179 6.62308290 1 [/CIF]
Ga2HgS4
I-4
82
tetragonal
-4
4,685.488267
false
[CIF] data_NiGeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63319134 _cell_length_b 4.63319134 _cell_length_c 4.63319134 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGeCl2 _chemical_formula_sum 'Ni1 Ge1 Cl2' _cell_volume 70.32758580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63808051 1.63808051 1.63808051 1 Cl Cl1 1 4.91424152 4.91424152 4.91424152 1 Ge Ge2 1 3.27616101 3.27616101 3.27616101 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2GeNi
Fm-3m
225
cubic
m-3m
4,775.21785
false
[CIF] data_TaAgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10669802 _cell_length_b 7.10669802 _cell_length_c 7.10669802 _cell_angle_alpha 157.68589482 _cell_angle_beta 157.68589482 _cell_angle_gamma 31.76302815 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAgW _chemical_formula_sum 'Ta1 Ag1 W1' _cell_volume 51.70340922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01912718 1 Ta Ta1 1 0.00000000 -0.00000000 4.55586905 1 W W2 1 -0.00000000 0.00000000 9.09586951 1 [/CIF]
AgTaW
I4mm
107
tetragonal
4mm
15,180.118636
false
[CIF] data_HfZrZnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69853408 _cell_length_b 4.69853408 _cell_length_c 4.69853408 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrZnW _chemical_formula_sum 'Hf1 Zr1 Zn1 W1' _cell_volume 73.34527583 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.66118265 1.66118265 1.66118266 1 W W1 1 4.98354797 4.98354797 4.98354797 1 Zn Zn2 1 -0.00000000 -0.00000000 0.00000000 1 Zr Zr3 1 3.32236531 3.32236531 3.32236531 1 [/CIF]
HfWZnZr
F-43m
216
cubic
-43m
11,748.680065
false
[CIF] data_YAgGePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76236381 _cell_length_b 4.76236381 _cell_length_c 4.76236381 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAgGePd _chemical_formula_sum 'Y1 Ag1 Ge1 Pd1' _cell_volume 76.37526129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.36749974 3.36749974 3.36749974 1 Pd Pd1 1 1.68374987 1.68374987 1.68374987 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Ag Ag3 1 5.05124961 5.05124961 5.05124961 1 [/CIF]
AgGePdY
F-43m
216
cubic
-43m
8,171.325532
false
[CIF] data_KNbAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89743577 _cell_length_b 4.89743577 _cell_length_c 4.89743577 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNbAs2 _chemical_formula_sum 'K1 Nb1 As2' _cell_volume 83.05987012 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73150502 1.73150502 1.73150502 1 As As1 1 5.19451506 5.19451506 5.19451506 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 3.46301004 3.46301004 3.46301004 1 [/CIF]
As2KNb
Fm-3m
225
cubic
m-3m
5,634.723663
false
[CIF] data_Pm2BeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30328813 _cell_length_b 5.30328813 _cell_length_c 5.30328813 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pm2BeBi _chemical_formula_sum 'Pm2 Be1 Bi1' _cell_volume 105.46799063 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 3.74999100 3.74999100 3.74999100 1 Pm Pm2 1 5.62498650 5.62498650 5.62498650 1 Pm Pm3 1 1.87499550 1.87499550 1.87499550 1 [/CIF]
BeBiPm2
Fm-3m
225
cubic
m-3m
7,998.080962
false
[CIF] data_LaGeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.24664853 _cell_length_b 10.24664853 _cell_length_c 10.24664853 _cell_angle_alpha 16.58914803 _cell_angle_beta 16.58914803 _cell_angle_gamma 16.58914803 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGeW2 _chemical_formula_sum 'La1 Ge1 W2' _cell_volume 76.47724255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 15.15522272 1 W W2 1 -0.00000000 0.00000000 7.98675388 1 W W3 1 -0.00000000 0.00000000 22.32369156 1 [/CIF]
GeLaW2
R-3m
166
trigonal
-3m
12,576.637029
false
[CIF] data_BaScAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93520558 _cell_length_b 6.93520558 _cell_length_c 6.93520558 _cell_angle_alpha 38.92283866 _cell_angle_beta 38.92283866 _cell_angle_gamma 38.92283866 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScAg2 _chemical_formula_sum 'Ba1 Sc1 Ag2' _cell_volume 118.39253657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.04577871 1 Ag Ag1 1 0.00000000 0.00000000 5.64256866 1 Ba Ba2 1 0.00000000 -0.00000000 9.71385152 1 Sc Sc3 1 -0.00000000 -0.00000000 13.40429618 1 [/CIF]
Ag2BaSc
R3m
160
trigonal
3m
5,582.502377
false
[CIF] data_Zr3TaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96349902 _cell_length_b 4.96349902 _cell_length_c 4.96349902 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3TaMo _chemical_formula_sum 'Zr3 Ta1 Mo1' _cell_volume 122.28236269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Zr Zr1 1 0.00000000 2.48174951 0.00000000 1 Zr Zr2 1 0.00000000 0.00000000 2.48174951 1 Zr Zr3 1 2.48174951 0.00000000 0.00000000 1 Ta Ta4 1 2.48174951 2.48174951 2.48174951 1 [/CIF]
MoTaZr3
Pm-3m
221
cubic
m-3m
7,476.625246
false
[CIF] data_LaTaInPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01550394 _cell_length_b 5.01550394 _cell_length_c 5.01550394 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaInPd _chemical_formula_sum 'La1 Ta1 In1 Pd1' _cell_volume 89.21312062 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 5.31974528 5.31974528 5.31974528 1 La La1 1 1.77324843 1.77324843 1.77324843 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.54649685 3.54649685 3.54649685 1 [/CIF]
InLaPdTa
F-43m
216
cubic
-43m
10,071.425806
false
[CIF] data_NiIrPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76657260 _cell_length_b 3.82869242 _cell_length_c 5.42289902 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.85459412 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiIrPt2 _chemical_formula_sum 'Ni1 Ir1 Pt2' _cell_volume 57.43488513 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.04044107 0.00000000 2.71114791 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.35077166 1.91434621 1.33244108 1 Pt Pt3 1 1.33491879 1.91434621 4.08985473 1 [/CIF]
IrNiPt2
P2/m
10
monoclinic
2/m
18,534.654079
false
[CIF] data_HfHgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.83577946 _cell_length_b 9.83577946 _cell_length_c 9.83577946 _cell_angle_alpha 16.89071964 _cell_angle_beta 16.89071964 _cell_angle_gamma 16.89071964 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfHgOs2 _chemical_formula_sum 'Hf1 Hg1 Os2' _cell_volume 70.06867013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.66695989 1 Hg Hg1 1 -0.00000000 -0.00000000 21.69760824 1 Os Os2 1 -0.00000000 -0.00000000 28.86991309 1 Os Os3 1 -0.00000000 0.00000000 7.46535323 1 [/CIF]
HfHgOs2
R3m
160
trigonal
3m
18,000.139594
false
[CIF] data_ZrMnCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19475176 _cell_length_b 3.19475176 _cell_length_c 8.21968574 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnCl2 _chemical_formula_sum 'Zr1 Mn1 Cl2' _cell_volume 83.89371953 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 7.72284166 1 Cl Cl1 1 1.59737588 1.59737588 2.65687261 1 Mn Mn2 1 0.00000000 0.00000000 4.04615264 1 Zr Zr3 1 1.59737588 1.59737588 6.12334736 1 [/CIF]
Cl2MnZr
P4mm
99
tetragonal
4mm
4,296.507186
false
[CIF] data_ZrBiRuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75716974 _cell_length_b 4.75716974 _cell_length_c 4.75716974 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBiRuW _chemical_formula_sum 'Zr1 Bi1 Ru1 W1' _cell_volume 76.12563781 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.04574047 5.04574047 5.04574047 1 Ru Ru1 1 3.36382698 3.36382698 3.36382698 1 W W2 1 1.68191349 1.68191349 1.68191349 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiRuWZr
F-43m
216
cubic
-43m
12,763.181335
false
[CIF] data_LiV3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26855348 _cell_length_b 4.26855348 _cell_length_c 4.26855348 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiV3Cl _chemical_formula_sum 'Li1 V3 Cl1' _cell_volume 77.77538704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.13427674 2.13427674 2.13427674 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 2.13427674 0.00000000 1 V V3 1 0.00000000 0.00000000 2.13427674 1 V V4 1 2.13427674 0.00000000 0.00000000 1 [/CIF]
ClLiV3
Pm-3m
221
cubic
m-3m
4,168.001705
false
[CIF] data_NaZrZnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10331956 _cell_length_b 5.10331956 _cell_length_c 5.10331956 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrZnBi _chemical_formula_sum 'Na1 Zr1 Zn1 Bi1' _cell_volume 93.98169960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80429594 1.80429594 1.80429594 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 5.41288781 5.41288781 5.41288781 1 Zr Zr3 1 3.60859187 3.60859187 3.60859187 1 [/CIF]
BiNaZnZr
F-43m
216
cubic
-43m
6,865.619489
false
[CIF] data_NaCrCdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68186752 _cell_length_b 4.68186752 _cell_length_c 4.68186752 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCrCdW _chemical_formula_sum 'Na1 Cr1 Cd1 W1' _cell_volume 72.56753366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65529014 1.65529014 1.65529013 1 Cr Cr1 1 4.96587041 4.96587041 4.96587041 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.31058027 3.31058027 3.31058027 1 [/CIF]
CdCrNaW
F-43m
216
cubic
-43m
8,494.891493
false
[CIF] data_BaPBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20401083 _cell_length_b 4.20401083 _cell_length_c 8.23500138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPBr2 _chemical_formula_sum 'Ba1 P1 Br2' _cell_volume 145.54300202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.11750069 1 Br Br1 1 2.10200541 2.10200541 5.85856461 1 Br Br2 1 2.10200541 2.10200541 2.37643677 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBr2P
P4/mmm
123
tetragonal
4/mmm
3,743.480688
false
[CIF] data_Cd3NiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13043658 _cell_length_b 5.13043658 _cell_length_c 5.13043658 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3NiIr _chemical_formula_sum 'Cd3 Ni1 Ir1' _cell_volume 135.04016823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 2.56521829 2.56521829 2.56521829 1 Cd Cd2 1 2.56521829 0.00000000 2.56521829 1 Cd Cd3 1 2.56521829 2.56521829 0.00000000 1 Cd Cd4 1 0.00000000 2.56521829 2.56521829 1 [/CIF]
Cd3IrNi
Pm-3m
221
cubic
m-3m
7,232.182137
false
[CIF] data_NbCoSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39534864 _cell_length_b 4.39534864 _cell_length_c 4.39534864 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCoSn _chemical_formula_sum 'Nb1 Co1 Sn1' _cell_volume 60.04336038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.55399042 1.55399042 1.55399041 1 Sn Sn2 1 3.10798083 3.10798083 3.10798083 1 [/CIF]
CoNbSn
F-43m
216
cubic
-43m
7,482.228442
false
[CIF] data_Sr2IrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38495420 _cell_length_b 6.38495420 _cell_length_c 6.38495420 _cell_angle_alpha 144.54520334 _cell_angle_beta 130.04960264 _cell_angle_gamma 62.74032912 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2IrW _chemical_formula_sum 'Sr2 Ir1 W1' _cell_volume 114.29219595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.94414564 0.00000000 3.30060692 1 Sr Sr1 1 0.00000000 0.00000000 0.28671653 1 Sr Sr2 1 0.00000000 2.69589312 2.62555206 1 W W3 1 0.00000000 -0.00000000 4.69035303 1 [/CIF]
IrSr2W
Imm2
44
orthorhombic
mm2
8,009.735032
false
[CIF] data_CrHg2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89064654 _cell_length_b 4.89064654 _cell_length_c 5.20415168 _cell_angle_alpha 99.90234493 _cell_angle_beta 99.90234493 _cell_angle_gamma 34.76646725 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrHg2Pt _chemical_formula_sum 'Cr1 Hg2 Pt1' _cell_volume 69.81786433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66088742 -0.00000000 3.86870489 1 Hg Hg2 1 6.73588677 -0.00000000 1.25025523 1 Pt Pt3 1 4.19838710 0.00000000 2.55948006 1 [/CIF]
CrHg2Pt
C2/m
12
monoclinic
2/m
15,418.13448
false
[CIF] data_KNa2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91672690 _cell_length_b 4.91672690 _cell_length_c 4.96580859 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNa2Ni _chemical_formula_sum 'K1 Na2 Ni1' _cell_volume 120.04446695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 0.00000000 2.45836345 2.48290429 1 Na Na2 1 2.45836345 0.00000000 2.48290429 1 Ni Ni3 1 2.45836345 2.45836345 0.00000000 1 [/CIF]
KNa2Ni
P4/mmm
123
tetragonal
4/mmm
1,988.744374
false
[CIF] data_CaTiCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26781090 _cell_length_b 5.26781090 _cell_length_c 5.26781090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTiCd _chemical_formula_sum 'Ca1 Ti1 Cd1' _cell_volume 103.36548153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 5.58735722 5.58735722 5.58735721 1 Ti Ti2 1 1.86245240 1.86245241 1.86245240 1 [/CIF]
CaCdTi
F-43m
216
cubic
-43m
3,218.666041
false
[CIF] data_MoS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58136217 _cell_length_b 6.58136217 _cell_length_c 6.58136217 _cell_angle_alpha 28.02207331 _cell_angle_beta 28.02207331 _cell_angle_gamma 28.02207331 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoS2 _chemical_formula_sum 'Mo1 S2' _cell_volume 55.57608473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 18.95668927 1 S S1 1 -0.00000000 -0.00000000 14.20193634 1 S S2 1 0.00000000 -0.00000000 11.07336120 1 [/CIF]
MoS2
R3m
160
trigonal
3m
4,783.274665
false
[CIF] data_AgRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75479081 _cell_length_b 2.75479081 _cell_length_c 7.81660304 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgRu3 _chemical_formula_sum 'Ag1 Ru3' _cell_volume 59.31920313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.90830152 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.37739540 1.37739540 6.01639731 1 Ru Ru3 1 1.37739540 1.37739540 1.80020573 1 [/CIF]
AgRu3
P4/mmm
123
tetragonal
4/mmm
11,507.427183
false
[CIF] data_Nd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66831866 _cell_length_b 3.66831866 _cell_length_c 3.66831866 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd _chemical_formula_sum Nd1 _cell_volume 34.90488143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd Nd0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nd
Fm-3m
225
cubic
m-3m
6,862.062445
false
[CIF] data_CuPRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97702670 _cell_length_b 3.97702670 _cell_length_c 3.97702670 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPRh _chemical_formula_sum 'Cu1 P1 Rh1' _cell_volume 44.47956413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.21827383 4.21827383 4.21827383 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 2.81218255 2.81218255 2.81218255 1 [/CIF]
CuPRh
F-43m
216
cubic
-43m
7,370.404065
false
[CIF] data_LiGaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20111139 _cell_length_b 4.20111139 _cell_length_c 4.20111139 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGaAu _chemical_formula_sum 'Li1 Ga1 Au1' _cell_volume 52.42972640 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.45595152 4.45595152 4.45595152 1 Ga Ga1 1 1.48531717 1.48531718 1.48531718 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuGaLi
F-43m
216
cubic
-43m
8,666.347907
false
[CIF] data_BeCdB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78997969 _cell_length_b 3.78997969 _cell_length_c 3.78997969 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCdB _chemical_formula_sum 'Be1 Cd1 B1' _cell_volume 38.49423120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.33996017 1.33996017 1.33996017 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 2.67992034 2.67992034 2.67992034 1 [/CIF]
BBeCd
F-43m
216
cubic
-43m
5,704.231993
false
[CIF] data_ScMnTcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40301748 _cell_length_b 4.40301748 _cell_length_c 4.40301748 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMnTcW _chemical_formula_sum 'Sc1 Mn1 Tc1 W1' _cell_volume 60.35819335 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55670176 1.55670176 1.55670176 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 3.11340352 3.11340352 3.11340352 1 W W3 1 4.67010528 4.67010528 4.67010528 1 [/CIF]
MnScTcW
F-43m
216
cubic
-43m
10,526.970638
false
[CIF] data_Al2VB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88950573 _cell_length_b 3.59974623 _cell_length_c 5.05815027 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.97570384 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2VB _chemical_formula_sum 'Al2 V1 B1' _cell_volume 50.58032034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.74568411 1.79987312 3.72340880 1 Al Al1 1 2.24303661 1.79987312 1.13938808 1 B B2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 0.74867625 0.00000000 2.43139844 1 [/CIF]
Al2BV
P2/m
10
monoclinic
2/m
3,798.913001
false
[CIF] data_ScTc2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15742469 _cell_length_b 5.15742469 _cell_length_c 5.15742469 _cell_angle_alpha 143.29928130 _cell_angle_beta 128.19747215 _cell_angle_gamma 65.15645527 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTc2Ge _chemical_formula_sum 'Sc1 Tc2 Ge1' _cell_volume 63.58949896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.34594037 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 0.00000000 2.25287467 2.15483345 1 Tc Tc3 1 1.62369561 0.00000000 2.19110692 1 [/CIF]
GeScTc2
Immm
71
orthorhombic
mmm
8,236.388596
false
[CIF] data_Li2SiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91307667 _cell_length_b 4.91307667 _cell_length_c 3.89878792 _cell_angle_alpha 112.55422916 _cell_angle_beta 112.55422916 _cell_angle_gamma 33.60611903 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2SiNi _chemical_formula_sum 'Li2 Si1 Ni1' _cell_volume 47.72446787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.14810491 -0.00000000 2.66315869 1 Li Li1 1 6.69640593 0.00000000 0.90900777 1 Ni Ni2 1 3.92225542 -0.00000000 1.78608323 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2NiSi
C2/m
12
monoclinic
2/m
3,502.424739
false
[CIF] data_MgTaZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.50290875 _cell_length_b 9.50290875 _cell_length_c 9.50290875 _cell_angle_alpha 17.70039990 _cell_angle_beta 17.70039990 _cell_angle_gamma 17.70039990 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaZn2 _chemical_formula_sum 'Mg1 Ta1 Zn2' _cell_volume 69.24695800 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 -0.00000000 0.00000000 14.02762288 1 Zn Zn2 1 -0.00000000 0.00000000 6.99774785 1 Zn Zn3 1 -0.00000000 -0.00000000 21.05749791 1 [/CIF]
MgTaZn2
R-3m
166
trigonal
-3m
8,057.574383
false
[CIF] data_CaTlBiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41006831 _cell_length_b 5.41006831 _cell_length_c 5.41006831 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTlBiAu _chemical_formula_sum 'Ca1 Tl1 Bi1 Au1' _cell_volume 111.96782676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.73824399 5.73824399 5.73824399 1 Bi Bi1 1 1.91274800 1.91274800 1.91274800 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.82549599 3.82549599 3.82549599 1 [/CIF]
AuBiCaTl
F-43m
216
cubic
-43m
9,645.881064
false
[CIF] data_Pt2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57608263 _cell_length_b 5.57608263 _cell_length_c 6.84955143 _cell_angle_alpha 106.47836156 _cell_angle_beta 106.47836156 _cell_angle_gamma 29.11994011 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pt2Au _chemical_formula_sum 'Pt4 Au2' _cell_volume 99.08952807 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 6.98126943 -0.00000000 5.62628106 1 Au Au1 1 1.80538085 -0.00000000 0.92252386 1 Pt Pt2 1 4.70035387 -0.00000000 1.29871773 1 Pt Pt3 1 8.36739372 0.00000000 3.10205762 1 Pt Pt4 1 0.41925656 -0.00000000 3.44674729 1 Pt Pt5 1 4.08629641 -0.00000000 5.25008718 1 [/CIF]
Au2Pt4
C2/m
12
monoclinic
2/m
19,678.363762
false
[CIF] data_Ho2NbTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17607679 _cell_length_b 5.17607679 _cell_length_c 5.17607679 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho2NbTe _chemical_formula_sum 'Ho2 Nb1 Te1' _cell_volume 98.05892660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 5.49005850 5.49005850 5.49005850 1 Ho Ho1 1 1.83001950 1.83001950 1.83001950 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.66003900 3.66003900 3.66003900 1 [/CIF]
Ho2NbTe
Fm-3m
225
cubic
m-3m
9,319.966772
false
[CIF] data_TiCo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19473283 _cell_length_b 4.19473283 _cell_length_c 4.19473283 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCo2Os _chemical_formula_sum 'Ti1 Co2 Os1' _cell_volume 52.19127633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.44918605 4.44918605 4.44918605 1 Co Co1 1 1.48306202 1.48306202 1.48306202 1 Os Os2 1 2.96612403 2.96612403 2.96612403 1 Ti Ti3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Co2OsTi
Fm-3m
225
cubic
m-3m
11,325.4773
false
[CIF] data_TaSb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.39906843 _cell_length_b 9.39906843 _cell_length_c 9.39906843 _cell_angle_alpha 155.93555987 _cell_angle_beta 155.93555987 _cell_angle_gamma 34.29221527 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSb4 _chemical_formula_sum 'Ta1 Sb4' _cell_volume 137.91872145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95934593 0.00000000 4.49066851 1 Sb Sb1 1 0.00000000 1.95934593 4.49066851 1 Sb Sb2 1 0.00000000 -0.00000000 10.44375267 1 Sb Sb3 1 -0.00000000 0.00000000 7.51892135 1 Ta Ta4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sb4Ta
I4/mmm
139
tetragonal
4/mmm
8,042.562744
false
[CIF] data_Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71134511 _cell_length_b 2.71134511 _cell_length_c 2.71134511 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn _chemical_formula_sum Zn1 _cell_volume 15.34378516 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 [/CIF]
Zn
Im-3m
229
cubic
m-3m
7,075.571185
false
[CIF] data_AlPb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60299202 _cell_length_b 5.60299202 _cell_length_c 3.53083799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.59977892 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlPb2Br _chemical_formula_sum 'Al1 Pb2 Br1' _cell_volume 110.80222667 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 3.90621826 0.00000000 0.00000000 1 Pb Pb2 1 1.95310913 -2.00841844 1.76541900 1 Pb Pb3 1 1.95310913 2.00841844 1.76541900 1 [/CIF]
AlBrPb2
Cmmm
65
orthorhombic
mmm
7,812.252765
false
[CIF] data_In2ReNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57318744 _cell_length_b 4.57318744 _cell_length_c 4.57318744 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2ReNi _chemical_formula_sum 'In2 Re1 Ni1' _cell_volume 67.63040811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.85059778 4.85059778 4.85059778 1 In In1 1 1.61686592 1.61686593 1.61686593 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 3.23373185 3.23373185 3.23373185 1 [/CIF]
In2NiRe
Fm-3m
225
cubic
m-3m
11,651.359983
false
[CIF] data_ScIrCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44972522 _cell_length_b 5.44972522 _cell_length_c 5.35444436 _cell_angle_alpha 96.45028465 _cell_angle_beta 96.45028465 _cell_angle_gamma 35.23261644 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScIrCl2 _chemical_formula_sum 'Sc1 Ir1 Cl2' _cell_volume 91.10122563 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.24492345 0.00000000 4.44519922 1 Cl Cl1 1 7.38292407 0.00000000 1.30085788 1 Ir Ir2 1 5.87453678 0.00000000 3.04705570 1 Sc Sc3 1 1.89060415 0.00000000 4.49968629 1 [/CIF]
Cl2IrSc
Cm
8
monoclinic
m
5,615.479544
false
[CIF] data_KSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34704873 _cell_length_b 5.17947354 _cell_length_c 6.68916316 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSb3 _chemical_formula_sum 'K1 Sb3' _cell_volume 115.96300032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.67352437 2.58973677 4.84229959 1 Sb Sb2 1 0.00000000 0.00000000 3.34458158 1 Sb Sb3 1 1.67352437 2.58973677 1.84686357 1 [/CIF]
KSb3
Pmmm
47
orthorhombic
mmm
5,790.519071
false
[CIF] data_SnMoBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71480416 _cell_length_b 4.71480416 _cell_length_c 4.71480416 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnMoBr _chemical_formula_sum 'Sn1 Mo1 Br1' _cell_volume 74.10985695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 5.00080499 5.00080499 5.00080499 1 Sn Sn2 1 3.33386999 3.33386999 3.33386999 1 [/CIF]
BrMoSn
F-43m
216
cubic
-43m
6,600.358645
false
[CIF] data_CrGe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78578885 _cell_length_b 2.78578885 _cell_length_c 8.38063679 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGe2Mo _chemical_formula_sum 'Cr1 Ge2 Mo1' _cell_volume 65.03893344 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.24536191 1 Ge Ge1 1 1.39289442 1.39289442 8.01821473 1 Ge Ge2 1 0.00000000 0.00000000 2.31384412 1 Mo Mo3 1 1.39289442 1.39289442 4.37417121 1 [/CIF]
CrGe2Mo
P4mm
99
tetragonal
4mm
7,486.746385
false
[CIF] data_ScNiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32290258 _cell_length_b 4.32290258 _cell_length_c 4.32290258 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNiSb _chemical_formula_sum 'Sc1 Ni1 Sb1' _cell_volume 57.12304477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.58513059 4.58513059 4.58513059 1 Sb Sb1 1 3.05675373 3.05675373 3.05675373 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NiSbSc
F-43m
216
cubic
-43m
6,552.538823
false
[CIF] data_Sr2TcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90996469 _cell_length_b 9.90996469 _cell_length_c 9.90996469 _cell_angle_alpha 21.53300656 _cell_angle_beta 21.53300656 _cell_angle_gamma 21.53300656 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TcAg _chemical_formula_sum 'Sr2 Tc1 Ag1' _cell_volume 114.88067881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.51500123 1 Sr Sr1 1 -0.00000000 0.00000000 7.39110598 1 Sr Sr2 1 -0.00000000 -0.00000000 21.63889649 1 Tc Tc3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
AgSr2Tc
R-3m
166
trigonal
-3m
5,521.81482
false
[CIF] data_TlZn2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51694350 _cell_length_b 4.51694350 _cell_length_c 4.51694350 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZn2Co _chemical_formula_sum 'Tl1 Zn2 Co1' _cell_volume 65.16568687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 3.19396138 3.19396138 3.19396138 1 Zn Zn2 1 1.59698069 1.59698069 1.59698069 1 Zn Zn3 1 4.79094207 4.79094207 4.79094207 1 [/CIF]
CoTlZn2
Fm-3m
225
cubic
m-3m
10,041.778834
false
[CIF] data_SnPd2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98332431 _cell_length_b 2.98332431 _cell_length_c 7.60067545 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnPd2W _chemical_formula_sum 'Sn1 Pd2 W1' _cell_volume 67.64771359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.00000000 7.51244970 1 Pd Pd1 1 1.49166215 1.49166215 1.92673429 1 Sn Sn2 1 0.00000000 0.00000000 3.72615810 1 W W3 1 1.49166215 1.49166215 5.83634662 1 [/CIF]
Pd2SnW
P4mm
99
tetragonal
4mm
12,651.207027
false
[CIF] data_MgNi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36092545 _cell_length_b 4.36092545 _cell_length_c 4.36092545 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNi2Sn _chemical_formula_sum 'Mg1 Ni2 Sn1' _cell_volume 58.64364964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 1.54181998 1.54181998 1.54181998 1 Ni Ni2 1 4.62545994 4.62545994 4.62545994 1 Sn Sn3 1 3.08363996 3.08363996 3.08363996 1 [/CIF]
MgNi2Sn
Fm-3m
225
cubic
m-3m
7,373.472909
false
[CIF] data_KPrSm2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99831470 _cell_length_b 5.99831470 _cell_length_c 5.99831470 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPrSm2 _chemical_formula_sum 'K1 Pr1 Sm2' _cell_volume 152.60639867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pr Pr1 1 4.24144900 4.24144900 4.24144900 1 Sm Sm2 1 6.36217350 6.36217350 6.36217350 1 Sm Sm3 1 2.12072450 2.12072450 2.12072450 1 [/CIF]
KPrSm2
Fm-3m
225
cubic
m-3m
5,230.869919
false
[CIF] data_SrTiGaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82756381 _cell_length_b 4.82756381 _cell_length_c 4.82756381 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiGaW _chemical_formula_sum 'Sr1 Ti1 Ga1 W1' _cell_volume 79.55529165 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 3.41360311 3.41360311 3.41360311 1 Sr Sr1 1 1.70680156 1.70680156 1.70680156 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 5.12040467 5.12040467 5.12040467 1 [/CIF]
GaSrTiW
F-43m
216
cubic
-43m
8,120.550003
false
[CIF] data_CaBiMoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85638434 _cell_length_b 4.85638434 _cell_length_c 4.85638434 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBiMoIr _chemical_formula_sum 'Ca1 Bi1 Mo1 Ir1' _cell_volume 80.98864867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71699115 1.71699115 1.71699115 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 5.15097345 5.15097345 5.15097345 1 Mo Mo3 1 3.43398230 3.43398230 3.43398230 1 [/CIF]
BiCaIrMo
F-43m
216
cubic
-43m
11,015.12847
false
[CIF] data_KTlSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.98309803 _cell_length_b 9.98309803 _cell_length_c 9.98309803 _cell_angle_alpha 20.08660757 _cell_angle_beta 20.08660757 _cell_angle_gamma 20.08660757 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTlSi2 _chemical_formula_sum 'K1 Tl1 Si2' _cell_volume 102.67224114 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 0.00000000 0.00000000 7.04173163 1 Si Si2 1 0.00000000 0.00000000 22.29405221 1 Tl Tl3 1 0.00000000 -0.00000000 14.66789192 1 [/CIF]
KSi2Tl
R-3m
166
trigonal
-3m
4,846.342531
false
[CIF] data_HgGe2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09334547 _cell_length_b 5.09334547 _cell_length_c 3.34407898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.94833192 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgGe2Au _chemical_formula_sum 'Hg1 Ge2 Au1' _cell_volume 81.01858706 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 1.44339749 2.09812910 1.67203949 1 Ge Ge2 1 1.44339749 -2.09812909 1.67203949 1 Hg Hg3 1 2.88679498 -0.00000000 0.00000000 1 [/CIF]
AuGe2Hg
Cmmm
65
orthorhombic
mmm
11,125.858427
false
[CIF] data_SrZrOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33291435 _cell_length_b 3.33291435 _cell_length_c 7.42685976 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrOs2 _chemical_formula_sum 'Sr1 Zr1 Os2' _cell_volume 82.49992043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66645717 1.66645717 5.20974947 1 Os Os1 1 1.66645717 1.66645717 2.21711029 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 3.71342988 1 [/CIF]
Os2SrZr
P4/mmm
123
tetragonal
4/mmm
11,257.539852
false
[CIF] data_ZrTaAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98783457 _cell_length_b 2.98783457 _cell_length_c 7.49318350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaAl _chemical_formula_sum 'Zr1 Ta1 Al1' _cell_volume 57.93087608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.07628982 1 Ta Ta1 1 1.49391729 0.86251355 2.37291055 1 Zr Zr2 1 0.00000000 1.72502709 5.04398312 1 [/CIF]
AlTaZr
P3m1
156
trigonal
3m
8,574.977134
false
[CIF] data_SrTcPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89199763 _cell_length_b 4.89199763 _cell_length_c 4.89199763 _cell_angle_alpha 123.50872823 _cell_angle_beta 119.82336240 _cell_angle_gamma 87.16890861 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTcPd2 _chemical_formula_sum 'Sr1 Tc1 Pd2' _cell_volume 80.48092699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.31515045 0.00000000 1.87070894 1 Pd Pd1 1 0.00000000 2.45252642 1.67285330 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 3.54356224 1 [/CIF]
Pd2SrTc
Immm
71
orthorhombic
mmm
8,240.004207
false
[CIF] data_Al2ReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90036495 _cell_length_b 4.90036495 _cell_length_c 4.46667170 _cell_angle_alpha 107.27070083 _cell_angle_beta 107.27070083 _cell_angle_gamma 34.51057675 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2ReOs _chemical_formula_sum 'Al2 Re1 Os1' _cell_volume 57.75833471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.94395986 -0.00000000 4.07563101 1 Al Al1 1 6.71648558 -0.00000000 1.24525052 1 Os Os2 1 4.11063160 -0.00000000 1.94895834 1 Re Re3 1 1.15650368 0.00000000 3.34352684 1 [/CIF]
Al2OsRe
Cm
8
monoclinic
m
12,373.904927
false
[CIF] data_TiV2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32213433 _cell_length_b 4.32213433 _cell_length_c 3.01711095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiV2Ir _chemical_formula_sum 'Ti1 V2 Ir1' _cell_volume 56.36218251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16106716 2.16106716 0.00000000 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 2.16106716 1.50855548 1 V V3 1 2.16106716 0.00000000 1.50855548 1 [/CIF]
IrTiV2
P4/mmm
123
tetragonal
4/mmm
10,075.010188
false
[CIF] data_YRe2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12407765 _cell_length_b 3.12407765 _cell_length_c 7.64786740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRe2Au _chemical_formula_sum 'Y1 Re2 Au1' _cell_volume 74.64212402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56203883 1.56203883 5.93134830 1 Re Re1 1 0.00000000 0.00000000 0.22475316 1 Re Re2 1 1.56203883 1.56203883 1.57336127 1 Y Y3 1 0.00000000 0.00000000 3.74233837 1 [/CIF]
AuRe2Y
P4mm
99
tetragonal
4mm
14,644.688466
false
[CIF] data_LiHg4Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28820071 _cell_length_b 6.28820071 _cell_length_c 6.28820071 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHg4Cl _chemical_formula_sum 'Li1 Hg4 Cl1' _cell_volume 175.81834473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22321468 2.22321468 2.22321468 1 Hg Hg1 1 3.33722336 3.33722336 5.55563536 1 Hg Hg2 1 3.33722336 5.55563536 3.33722336 1 Hg Hg3 1 5.55563536 3.33722336 3.33722336 1 Hg Hg4 1 5.55563536 5.55563536 5.55563536 1 Li Li5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClHg4Li
F-43m
216
cubic
-43m
7,978.388267
false
[CIF] data_Nd4(SBr2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.23227796 _cell_length_b 15.23227796 _cell_length_c 7.20537257 _cell_angle_alpha 94.51537463 _cell_angle_beta 94.51537463 _cell_angle_gamma 26.26683437 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4(SBr2)3 _chemical_formula_sum 'Nd8 S6 Br12' _cell_volume 737.44030062 _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 Br Br0 1 7.75351611 -0.57325093 1.32545992 1 Br Br1 1 21.62295180 -0.57325093 2.26543477 1 Br Br2 1 21.33170662 0.57325093 5.85632947 1 Br Br3 1 7.46227094 0.57325093 4.91635462 1 Br Br4 1 16.31112121 2.71442907 0.79054674 1 Br Br5 1 13.06534670 2.71442907 2.80034796 1 Br Br6 1 12.77410152 -2.71442907 6.39124265 1 Br Br7 1 16.01987604 -2.71442907 4.38144144 1 Br Br8 1 25.01931184 -0.65461093 0.38649268 1 Br Br9 1 4.35715607 -0.65461093 3.20440202 1 Br Br10 1 4.06591089 0.65461093 6.79529671 1 Br Br11 1 24.72806667 0.65461093 3.97738738 1 Nd Nd12 1 19.56059479 -1.33985093 4.26587572 1 Nd Nd13 1 9.23338277 -1.33985093 6.50680837 1 Nd Nd14 1 9.52462794 1.33985093 2.91591367 1 Nd Nd15 1 19.85183997 1.33985093 0.67498102 1 Nd Nd16 1 12.84189180 -1.31773093 3.70323965 1 Nd Nd17 1 15.95208576 -1.31773093 7.06944444 1 Nd Nd18 1 16.24333093 1.31773093 3.47854974 1 Nd Nd19 1 13.13313698 1.31773093 0.11234495 1 S S20 1 14.68823396 -0.35950093 1.79544735 1 S S21 1 14.39698878 0.35950093 5.38634205 1 S S22 1 11.25521502 -0.36089093 1.50514931 1 S S23 1 18.12125289 -0.36089093 2.08574539 1 S S24 1 17.83000771 0.36089093 5.67664008 1 S S25 1 10.96396985 0.36089093 5.09604401 1 [/CIF]
Br12Nd8S6
C2/c
15
monoclinic
2/m
5,190.700154
false
[CIF] data_Tl2CrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10968736 _cell_length_b 3.10968736 _cell_length_c 9.65276368 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.41809944 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CrCd _chemical_formula_sum 'Tl2 Cr1 Cd1' _cell_volume 88.56231037 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.82638184 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.81863710 0.00000000 2.11649093 1 Tl Tl3 1 1.81863710 0.00000000 7.53627275 1 [/CIF]
CdCrTl2
Cmmm
65
orthorhombic
mmm
10,746.97935
false
[CIF] data_InP2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17762464 _cell_length_b 5.17762464 _cell_length_c 4.92406232 _cell_angle_alpha 99.07960003 _cell_angle_beta 99.07960003 _cell_angle_gamma 35.76664240 _symmetry_Int_Tables_number 1 _chemical_formula_structural InP2Pd _chemical_formula_sum 'In1 P2 Pd1' _cell_volume 76.08588286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.51921212 0.00000000 2.42794764 1 P P1 1 1.90297338 0.00000000 4.13979999 1 P P2 1 7.13545086 -0.00000000 0.71609528 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InP2Pd
C2/m
12
monoclinic
2/m
6,180.392577
false
[CIF] data_Ni2MoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29809378 _cell_length_b 4.29809378 _cell_length_c 4.29809378 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2MoAu _chemical_formula_sum 'Ni2 Mo1 Au1' _cell_volume 56.14520403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.55881689 4.55881689 4.55881689 1 Mo Mo1 1 3.03921126 3.03921126 3.03921126 1 Ni Ni2 1 1.51960563 1.51960563 1.51960563 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuMoNi2
F-43m
216
cubic
-43m
12,135.344248
false
[CIF] data_Zr2BW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14716475 _cell_length_b 3.14716475 _cell_length_c 6.86388128 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2BW _chemical_formula_sum 'Zr2 B1 W1' _cell_volume 67.98431401 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.86623680 1 W W1 1 1.57358237 1.57358237 4.62115200 1 Zr Zr2 1 0.00000000 0.00000000 6.60405894 1 Zr Zr3 1 1.57358237 1.57358237 2.06825546 1 [/CIF]
BWZr2
P4mm
99
tetragonal
4mm
9,210.766197
false
[CIF] data_BaTePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44029524 _cell_length_b 4.44029524 _cell_length_c 7.24664499 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTePb2 _chemical_formula_sum 'Ba1 Te1 Pb2' _cell_volume 142.87646006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22014762 2.22014762 5.23311453 1 Pb Pb1 1 0.00000000 0.00000000 0.31681187 1 Pb Pb2 1 2.22014762 2.22014762 1.66212774 1 Te Te3 1 0.00000000 0.00000000 3.65791334 1 [/CIF]
BaPb2Te
P4mm
99
tetragonal
4mm
7,895.275555
false