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_AlHg3Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37761172 _cell_length_b 5.37761172 _cell_length_c 5.37761172 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHg3Mo _chemical_fo...
AlHg3Mo
Pm-3m
221
cubic
m-3m
7,738.30688
false
[CIF] data_Mg2RuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99441667 _cell_length_b 2.99441667 _cell_length_c 8.09973626 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2RuAu _chemical_fo...
AuMg2Ru
P4mm
99
tetragonal
4mm
7,925.755341
false
[CIF] data_AgAuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93826985 _cell_length_b 5.93826985 _cell_length_c 5.93826985 _cell_angle_alpha 146.37714470 _cell_angle_beta 146.37714470 _cell_angle_gamma 48.28691492 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgAuBr _chemical_fo...
AgAuBr
I4mm
107
tetragonal
4mm
9,992.31319
false
[CIF] data_MgSnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41032562 _cell_length_b 6.41032562 _cell_length_c 6.41032562 _cell_angle_alpha 150.12813718 _cell_angle_beta 150.12813718 _cell_angle_gamma 42.75334408 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSnAu _chemical_fo...
AuMgSn
I4mm
107
tetragonal
4mm
8,661.631579
false
[CIF] data_Ca(FeO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26593558 _cell_length_b 6.26593558 _cell_length_c 6.26593558 _cell_angle_alpha 120.01550809 _cell_angle_beta 119.99625265 _cell_angle_gamma 89.98981601 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca(FeO2)2 _chemi...
Ca2Fe4O8
Imma
74
orthorhombic
mmm
4,119.619868
false
[CIF] data_BaInIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66679804 _cell_length_b 4.66679804 _cell_length_c 3.93284558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaInIr2 _chemical_fo...
BaInIr2
P4/mmm
123
tetragonal
4/mmm
12,341.17461
false
[CIF] data_Be2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71602780 _cell_length_b 3.71602780 _cell_length_c 8.21908465 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2Te _chemical_formu...
Be4Te2
P6_3/mmc
194
hexagonal
6/mmm
4,920.408278
false
[CIF] data_NaHfHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81801437 _cell_length_b 4.81801437 _cell_length_c 7.01092769 _cell_angle_alpha 96.38460720 _cell_angle_beta 96.38460720 _cell_angle_gamma 37.87241435 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfHg2 _chemical_fo...
HfHg2Na
C2/m
12
monoclinic
2/m
10,086.268386
false
[CIF] data_BMoOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75787053 _cell_length_b 2.75787053 _cell_length_c 6.63764187 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BMoOs2 _chemical_form...
BMoOs2
P4/mmm
123
tetragonal
4/mmm
16,025.900615
false
[CIF] data_Ba2CaSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95842493 _cell_length_b 5.95842493 _cell_length_c 5.95842493 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaSi _chemical_fo...
Ba2CaSi
Fm-3m
225
cubic
m-3m
3,805.683468
false
[CIF] data_CoHgBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13743305 _cell_length_b 5.13743305 _cell_length_c 5.13743305 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoHgBr2 _chemical_fo...
Br2CoHg
F-43m
216
cubic
-43m
7,262.443059
false
[CIF] data_LiBiPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04250634 _cell_length_b 5.04250634 _cell_length_c 5.04250634 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBiPtPb _chemical_...
BiLiPbPt
F-43m
216
cubic
-43m
11,322.896297
false
[CIF] data_FeRuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68759395 _cell_length_b 3.68759395 _cell_length_c 3.68759395 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRuO3 _chemical_form...
FeO3Ru
Pm-3m
221
cubic
m-3m
6,785.623381
false
[CIF] data_Ba2CaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73462037 _cell_length_b 5.73462037 _cell_length_c 5.73462037 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaRu _chemical_fo...
Ba2CaRu
Fm-3m
225
cubic
m-3m
5,177.697223
false
[CIF] data_MoAuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07028994 _cell_length_b 4.07028994 _cell_length_c 4.07028994 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoAuO3 _chemical_form...
AuMoO3
Pm-3m
221
cubic
m-3m
8,395.210939
false
[CIF] data_MgBeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49822624 _cell_length_b 3.49822624 _cell_length_c 5.19227766 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBeSe _chemical_for...
BeMgSe
P3m1
156
trigonal
3m
3,388.10043
false
[CIF] data_ZnNiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.13706617 _cell_length_b 9.13706617 _cell_length_c 9.13706617 _cell_angle_alpha 17.21655283 _cell_angle_beta 17.21655283 _cell_angle_gamma 17.21655283 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNiW2 _chemical_form...
NiW2Zn
R-3m
166
trigonal
-3m
14,004.059964
false
[CIF] data_AgHg2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33929072 _cell_length_b 4.33929072 _cell_length_c 4.05187917 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHg2Pd _chemical_fo...
AgHg2Pd
P4/mmm
123
tetragonal
4/mmm
13,395.555718
false
[CIF] data_OsPdRhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41088330 _cell_length_b 4.41088330 _cell_length_c 4.41088330 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsPdRhW _chemical_fo...
OsPdRhW
F-43m
216
cubic
-43m
15,964.321605
false
[CIF] data_YOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87922460 _cell_length_b 2.87922460 _cell_length_c 7.33227759 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YOs2 _chemical_formula...
Os2Y
P-3m1
164
trigonal
-3m
14,806.07574
false
[CIF] data_Ga2SiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26730399 _cell_length_b 3.26730399 _cell_length_c 6.67028725 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2SiP _chemical_form...
Ga2PSi
P4mm
99
tetragonal
4mm
4,629.212564
false
[CIF] data_BaCr2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31255292 _cell_length_b 3.31255292 _cell_length_c 7.97371483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCr2Te _chemical_fo...
BaCr2Te
P4mm
99
tetragonal
4mm
7,001.57614
false
[CIF] data_ScCoAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29469847 _cell_length_b 3.29469847 _cell_length_c 6.19680016 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCoAg2 _chemical_fo...
Ag2CoSc
P4mm
99
tetragonal
4mm
7,890.266791
false
[CIF] data_FeNiPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75734601 _cell_length_b 4.75734601 _cell_length_c 4.75734601 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNiPb2 _chemical_fo...
FeNiPb2
Fm-3m
225
cubic
m-3m
11,536.55708
false
[CIF] data_LiTeP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13819002 _cell_length_b 5.13819002 _cell_length_c 5.13819002 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTeP3 _chemical_form...
LiP3Te
Pm-3m
221
cubic
m-3m
2,784.376843
false
[CIF] data_Na2FeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76336189 _cell_length_b 4.76336189 _cell_length_c 4.76336189 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2FeAu _chemical_fo...
AuFeNa2
F-43m
216
cubic
-43m
6,492.297426
false
[CIF] data_ScTe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68913061 _cell_length_b 3.68913061 _cell_length_c 7.21424795 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTe2Ir _chemical_fo...
IrScTe2
P4mm
99
tetragonal
4mm
8,327.298302
false
[CIF] data_SiAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38697221 _cell_length_b 3.38697221 _cell_length_c 6.03619389 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAg3 _chemical_formul...
Ag3Si
P4/mmm
123
tetragonal
4/mmm
8,433.790189
false
[CIF] data_BaTaSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01060625 _cell_length_b 5.01060625 _cell_length_c 5.01060625 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTaSnRu _chemical_...
BaRuSnTa
F-43m
216
cubic
-43m
10,044.303839
false
[CIF] data_NaInP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77254741 _cell_length_b 4.77254741 _cell_length_c 4.77254741 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaInP _chemical_formul...
InNaP
F-43m
216
cubic
-43m
3,646.18133
false
[CIF] data_Na2Hf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.39468956 _cell_length_b 9.39468956 _cell_length_c 9.39468956 _cell_angle_alpha 161.72190377 _cell_angle_beta 161.72190377 _cell_angle_gamma 25.96117501 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Hf _chemical_form...
HfNa2
I4/mmm
139
tetragonal
4/mmm
4,571.628791
false
[CIF] data_SrTe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30419949 _cell_length_b 6.30419949 _cell_length_c 6.30419949 _cell_angle_alpha 134.30936167 _cell_angle_beta 120.38174190 _cell_angle_gamma 78.21199607 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTe2Br _chemical_...
BrSrTe2
Imm2
44
orthorhombic
mm2
4,676.764841
false
[CIF] data_Sr4NiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.55604548 _cell_length_b 6.55604548 _cell_length_c 6.55604548 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4NiPt _chemical_fo...
NiPtSr4
F-43m
216
cubic
-43m
5,035.704056
false
[CIF] data_BaY2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80119347 _cell_length_b 5.80119347 _cell_length_c 5.80119347 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Br _chemical_form...
BaBrY2
Fm-3m
225
cubic
m-3m
4,751.777408
false
[CIF] data_HfCdTcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61402539 _cell_length_b 4.61402539 _cell_length_c 4.61402539 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCdTcRh _chemical_...
CdHfRhTc
F-43m
216
cubic
-43m
11,779.257415
false
[CIF] data_TaNbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58710642 _cell_length_b 4.58710642 _cell_length_c 3.24039682 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbW2 _chemical_form...
NbTaW2
P4/mmm
123
tetragonal
4/mmm
15,624.032103
false
[CIF] data_LiFe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96131557 _cell_length_b 5.96131557 _cell_length_c 3.28141998 _cell_angle_alpha 102.91967499 _cell_angle_beta 102.91967499 _cell_angle_gamma 32.44313503 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFe2Br _chemical_...
BrFe2Li
C2/m
12
monoclinic
2/m
5,418.838597
false
[CIF] data_TlV2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22759160 _cell_length_b 3.63223625 _cell_length_c 6.41343888 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.69027392 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlV2Se _chemical_for...
SeTlV2
P2/m
10
monoclinic
2/m
8,688.096153
false
[CIF] data_N3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72119164 _cell_length_b 3.72119164 _cell_length_c 3.72119164 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N3Cl _chemical_formula_...
ClN3
Fm-3m
225
cubic
m-3m
3,530.765879
false
[CIF] data_MgSiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82116730 _cell_length_b 3.89781469 _cell_length_c 5.25287127 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSiIr2 _chemical_fo...
Ir2MgSi
Pmm2
25
orthorhombic
mm2
12,557.676725
false
[CIF] data_Be2PdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10526315 _cell_length_b 4.10526315 _cell_length_c 4.10526315 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2PdRu _chemical_fo...
Be2PdRu
F-43m
216
cubic
-43m
7,654.473127
false
[CIF] data_Ti2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28827798 _cell_length_b 4.28827798 _cell_length_c 4.28827798 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Re _chemical_formul...
ReTi2
Fm-3m
225
cubic
m-3m
8,396.021478
false
[CIF] data_Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48876243 _cell_length_b 4.48876243 _cell_length_c 3.74025924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.99494518 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si _chemical_formula_sum...
Si4
Cmce
64
orthorhombic
mmm
2,753.958749
false
[CIF] data_ZrInBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53870361 _cell_length_b 4.78447944 _cell_length_c 6.03717082 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.66700313 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrInBr2 _chemical_fo...
Br2InZr
P2/m
10
monoclinic
2/m
5,955.659904
false
[CIF] data_NaHf2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15192493 _cell_length_b 3.15192493 _cell_length_c 8.60427573 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHf2Be _chemical_fo...
BeHf2Na
P4mm
99
tetragonal
4mm
7,556.357528
false
[CIF] data_VNiBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76366571 _cell_length_b 4.76366571 _cell_length_c 3.44743158 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNiBi2 _chemical_form...
Bi2NiV
P4/mmm
123
tetragonal
4/mmm
11,199.093158
false
[CIF] data_Sr2TeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07719708 _cell_length_b 4.07719708 _cell_length_c 8.00455059 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TeBr _chemical_fo...
BrSr2Te
P4/mmm
123
tetragonal
4/mmm
4,776.360806
false
[CIF] data_In2BPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39558196 _cell_length_b 5.43019095 _cell_length_c 5.43019095 _cell_angle_alpha 43.82573592 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2BPd _chemical_form...
BIn2Pd
Amm2
38
orthorhombic
mm2
8,307.536285
false
[CIF] data_PmSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62083400 _cell_length_b 3.62083400 _cell_length_c 3.62083400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmSe _chemical_formula_...
PmSe
Pm-3m
221
cubic
m-3m
7,834.183002
false
[CIF] data_VSi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35012604 _cell_length_b 4.35012604 _cell_length_c 2.86400828 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.70986346 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSi2Pd _chemical_form...
PdSi2V
Cmmm
65
orthorhombic
mmm
6,542.886518
false
[CIF] data_KMnNiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43433384 _cell_length_b 4.43433384 _cell_length_c 4.43433384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnNiW _chemical_form...
KMnNiW
F-43m
216
cubic
-43m
9,064.711998
false
[CIF] data_KSrV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72641875 _cell_length_b 5.72641875 _cell_length_c 3.99825216 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrV2 _chemical_formul...
KSrV2
P4/mmm
123
tetragonal
4/mmm
2,895.285575
false
[CIF] data_AlHgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40889548 _cell_length_b 4.40889548 _cell_length_c 5.57011644 _cell_angle_alpha 101.84737477 _cell_angle_beta 101.84737477 _cell_angle_gamma 40.51337716 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHgPd2 _chemical_...
AlHgPd2
C2/m
12
monoclinic
2/m
10,655.589782
false
[CIF] data_InCo2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95028583 _cell_length_b 2.95028583 _cell_length_c 6.46332710 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCo2Ru _chemical_fo...
Co2InRu
P4mm
99
tetragonal
4mm
9,851.259561
false
[CIF] data_K2BiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95489373 _cell_length_b 5.95489373 _cell_length_c 5.95489373 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BiPb _chemical_form...
BiK2Pb
F-43m
216
cubic
-43m
5,497.943921
false
[CIF] data_Mn2CdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22330817 _cell_length_b 3.22330817 _cell_length_c 8.08552499 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CdBr _chemical_fo...
BrCdMn2
P4mm
99
tetragonal
4mm
5,973.382742
false
[CIF] data_Tl3CrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27131343 _cell_length_b 5.27131343 _cell_length_c 5.27131343 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl3CrRu _chemical_fo...
CrRuTl3
Pm-3m
221
cubic
m-3m
8,686.479404
false
[CIF] data_RhAu4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47209207 _cell_length_b 5.47209207 _cell_length_c 5.47209207 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RhAu4Se _chemical_fo...
Au4RhSe
F-43m
216
cubic
-43m
13,898.103264
false
[CIF] data_RbNp2Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25822987 _cell_length_b 5.25822987 _cell_length_c 5.25822987 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbNp2Ta _chemical_fo...
Np2RbTa
Fm-3m
225
cubic
m-3m
11,959.719619
false
[CIF] data_NaCrCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73108568 _cell_length_b 2.73108568 _cell_length_c 7.51225472 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCrCo2 _chemical_fo...
Co2CrNa
P4/mmm
123
tetragonal
4/mmm
5,715.219493
false
[CIF] data_Ga2MoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44310539 _cell_length_b 4.44310539 _cell_length_c 4.44310539 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2MoP _chemical_form...
Ga2MoP
F-43m
216
cubic
-43m
7,131.903822
false
[CIF] data_HfZnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62906908 _cell_length_b 3.62906908 _cell_length_c 7.04724583 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZnTe2 _chemical_fo...
HfTe2Zn
P4/mmm
123
tetragonal
4/mmm
8,928.958182
false
[CIF] data_TiIrRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74217404 _cell_length_b 2.74217404 _cell_length_c 8.72229201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.79869314 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiIrRu2 _chemical_f...
IrRu2Ti
Cmmm
65
orthorhombic
mmm
12,435.683522
false
[CIF] data_BaSnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48154270 _cell_length_b 4.91575808 _cell_length_c 5.17674177 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSnW2 _chemical_form...
BaSnW2
Pmmm
47
orthorhombic
mmm
11,690.092545
false
[CIF] data_HfMgMnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49340451 _cell_length_b 4.49340451 _cell_length_c 4.49340451 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgMnPt _chemical_...
HfMgMnPt
F-43m
216
cubic
-43m
11,720.882461
false
[CIF] data_LaAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77907338 _cell_length_b 3.77907338 _cell_length_c 3.77907338 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAlO3 _chemical_form...
AlLaO3
Pm-3m
221
cubic
m-3m
6,580.726998
false
[CIF] data_ZrGaNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87865726 _cell_length_b 3.13716377 _cell_length_c 6.40545013 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGaNi2 _chemical_fo...
GaNi2Zr
Pmmm
47
orthorhombic
mmm
7,989.843243
false
[CIF] data_SnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18966112 _cell_length_b 6.18966112 _cell_length_c 6.18966112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnSb _chemical_formula_...
Sb4Sn4
P2_13
198
cubic
23
6,735.492784
false
[CIF] data_Al2TeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59162526 _cell_length_b 4.59162526 _cell_length_c 4.59162526 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2TeOs _chemical_fo...
Al2OsTe
Fm-3m
225
cubic
m-3m
9,019.159851
false
[CIF] data_NaCa2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44555631 _cell_length_b 6.44555631 _cell_length_c 3.77927794 _cell_angle_alpha 104.68719725 _cell_angle_beta 104.68719725 _cell_angle_gamma 107.62836786 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCa2Cl _chemical...
Ca2ClNa
C2/m
12
monoclinic
2/m
1,703.071467
false
[CIF] data_FeCo2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91954856 _cell_length_b 4.91954856 _cell_length_c 4.91954856 _cell_angle_alpha 148.71334871 _cell_angle_beta 129.71194617 _cell_angle_gamma 60.42858135 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCo2Ru _chemical_...
Co2FeRu
Immm
71
orthorhombic
mmm
9,676.823075
false
[CIF] data_LiZr4Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93293275 _cell_length_b 5.93293275 _cell_length_c 5.93293275 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZr4Br _chemical_fo...
BrLiZr4
F-43m
216
cubic
-43m
5,079.784953
false
[CIF] data_HoTc2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48007058 _cell_length_b 4.48007058 _cell_length_c 4.48007058 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoTc2Ni _chemical_fo...
HoNiTc2
Fm-3m
225
cubic
m-3m
11,006.298358
false
[CIF] data_BaTeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40089520 _cell_length_b 5.40089520 _cell_length_c 5.40089520 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTeP _chemical_formul...
BaPTe
F-43m
216
cubic
-43m
4,410.754931
false
[CIF] data_TlGaRePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60809954 _cell_length_b 4.60809954 _cell_length_c 4.60809954 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGaRePd _chemical_...
GaPdReTl
F-43m
216
cubic
-43m
13,601.201443
false
[CIF] data_CaMo2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53834635 _cell_length_b 4.53834635 _cell_length_c 4.53834635 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMo2P _chemical_form...
CaMo2P
F-43m
216
cubic
-43m
6,606.634815
false
[CIF] data_SrTe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46530703 _cell_length_b 6.46530703 _cell_length_c 6.46530703 _cell_angle_alpha 139.04942643 _cell_angle_beta 139.04942643 _cell_angle_gamma 59.29949460 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTe2As _chemical_...
AsSrTe2
I-4m2
119
tetragonal
-42m
6,034.32711
false
[CIF] data_LiCdRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42036488 _cell_length_b 4.42036488 _cell_length_c 4.42036488 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdRe2 _chemical_fo...
CdLiRe2
Fm-3m
225
cubic
m-3m
13,370.518085
false
[CIF] data_HfPtBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23844337 _cell_length_b 4.55246532 _cell_length_c 5.53659787 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPtBr2 _chemical_fo...
Br2HfPt
Pmmm
47
orthorhombic
mmm
10,850.793999
false
[CIF] data_BaFeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05595744 _cell_length_b 5.05595744 _cell_length_c 2.97123956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeIr2 _chemical_fo...
BaFeIr2
P4/mmm
123
tetragonal
4/mmm
12,628.050373
false
[CIF] data_TiTl2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04922586 _cell_length_b 4.04922586 _cell_length_c 5.98935745 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTl2Sb _chemical_fo...
SbTiTl2
P4/mmm
123
tetragonal
4/mmm
9,780.213598
false
[CIF] data_VCo2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67048245 _cell_length_b 3.56954170 _cell_length_c 5.27564478 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCo2Pt _chemical_form...
Co2PtV
Pmm2
25
orthorhombic
mm2
12,015.552356
false
[CIF] data_LiTiV2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45330282 _cell_length_b 6.45330282 _cell_length_c 6.02511660 _cell_angle_alpha 102.45792158 _cell_angle_beta 102.45792158 _cell_angle_gamma 27.10636129 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiV2O6 _chemica...
Li2O12Ti2V4
Cm
8
monoclinic
m
3,763.937835
false
[CIF] data_Na2YZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30859412 _cell_length_b 3.30859412 _cell_length_c 10.92087249 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.99683155 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2YZn _chemical_fo...
Na2YZn
Cmmm
65
orthorhombic
mmm
2,941.93002
false
[CIF] data_LaZn2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29451153 _cell_length_b 3.29451153 _cell_length_c 7.75002663 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZn2Au _chemical_fo...
AuLaZn2
P4/mmm
123
tetragonal
4/mmm
9,211.670464
false
[CIF] data_Mg2TePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63753626 _cell_length_b 4.63753626 _cell_length_c 3.75131636 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.57241549 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TePd _chemical_fo...
Mg2PdTe
Cmmm
65
orthorhombic
mmm
5,819.32479
false
[CIF] data_YTc2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29945963 _cell_length_b 9.29945963 _cell_length_c 9.29945963 _cell_angle_alpha 19.85402126 _cell_angle_beta 19.85402126 _cell_angle_gamma 19.85402126 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTc2Sn _chemical_form...
SnTc2Y
R3m
160
trigonal
3m
8,297.312456
false
[CIF] data_LaTiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95182150 _cell_length_b 4.95182150 _cell_length_c 4.95182150 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTiTe _chemical_form...
LaTeTi
F-43m
216
cubic
-43m
6,080.141128
false
[CIF] data_TcPPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81250670 _cell_length_b 4.81250670 _cell_length_c 2.78989584 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.32096532 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPPd2 _chemical_for...
PPd2Tc
Cmmm
65
orthorhombic
mmm
9,743.721965
false
[CIF] data_MgZr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01219207 _cell_length_b 5.01219207 _cell_length_c 5.01219207 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZr3 _chemical_formul...
MgZr3
Fm-3m
225
cubic
m-3m
5,557.298491
false
[CIF] data_Li2SbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48193445 _cell_length_b 3.48193445 _cell_length_c 5.89190593 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2SbMo _chemical_fo...
Li2MoSb
P4mm
99
tetragonal
4mm
5,383.868697
false
[CIF] data_Mn2PdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71672389 _cell_length_b 2.71672389 _cell_length_c 7.50112345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.65956064 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2PdAu _chemical_fo...
AuMn2Pd
Cmm2
35
orthorhombic
mm2
12,408.691495
false
[CIF] data_GaPtW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86473242 _cell_length_b 4.86473242 _cell_length_c 4.95087810 _cell_angle_alpha 95.44718608 _cell_angle_beta 95.44718608 _cell_angle_gamma 32.70393391 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaPtW2 _chemical_form...
GaPtW2
Cm
8
monoclinic
m
16,672.580734
false
[CIF] data_Zn2PPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83963590 _cell_length_b 4.83963590 _cell_length_c 4.44492027 _cell_angle_alpha 94.16156024 _cell_angle_beta 94.16156024 _cell_angle_gamma 34.91727778 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2PPd _chemical_form...
PPdZn2
C2/m
12
monoclinic
2/m
7,493.927984
false
[CIF] data_ZrAlSnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01151073 _cell_length_b 5.01151073 _cell_length_c 5.01151073 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAlSnHg _chemical_...
AlHgSnZr
F-43m
216
cubic
-43m
8,162.847019
false
[CIF] data_AgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15905285 _cell_length_b 5.15905285 _cell_length_c 5.15905285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgPt _chemical_formula_...
Ag4Pt4
P2_13
198
cubic
23
14,654.576381
false
[CIF] data_SrLiCdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40889306 _cell_length_b 5.40889306 _cell_length_c 5.40889306 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiCdPb _chemical_...
CdLiPbSr
F-43m
216
cubic
-43m
6,146.383381
false
[CIF] data_LiInCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39447463 _cell_length_b 4.39447463 _cell_length_c 4.39447463 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiInCu _chemical_form...
CuInLi
F-43m
216
cubic
-43m
5,127.791389
false
[CIF] data_BeInCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03613751 _cell_length_b 6.03613751 _cell_length_c 5.87478574 _cell_angle_alpha 106.77075026 _cell_angle_beta 106.77075026 _cell_angle_gamma 29.65329493 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeInCl2 _chemical_...
BeCl2In
Cm
8
monoclinic
m
3,199.350222
false
[CIF] data_KAgSnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30761345 _cell_length_b 5.30761345 _cell_length_c 5.30761345 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAgSnHg _chemical_fo...
AgHgKSn
F-43m
216
cubic
-43m
7,323.192527
false