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_SiHgMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90172792 _cell_length_b 3.91251612 _cell_length_c 5.97366976 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.36291740 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiHgMo2 _chemical_fo...
HgMo2Si
P2/m
10
monoclinic
2/m
10,437.209115
false
[CIF] data_HfVInRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62365654 _cell_length_b 4.62365654 _cell_length_c 4.62365654 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfVInRh _chemical_fo...
HfInRhV
F-43m
216
cubic
-43m
10,623.447853
false
[CIF] data_LaMgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97063267 _cell_length_b 4.97063267 _cell_length_c 4.97063267 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMgSi2 _chemical_fo...
LaMgSi2
Fm-3m
225
cubic
m-3m
4,194.971618
false
[CIF] data_CrGeB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88478495 _cell_length_b 3.88478495 _cell_length_c 3.88478495 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGeB2 _chemical_form...
B2CrGe
Fm-3m
225
cubic
m-3m
5,858.454694
false
[CIF] data_Ba4Ir3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28220985 _cell_length_b 13.20794119 _cell_length_c 5.75313944 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.55703142 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Ir3O10 _chemi...
Ba8Ir6O20
P2_1/c
14
monoclinic
2/m
8,357.279751
false
[CIF] data_LaBeCdGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96724966 _cell_length_b 4.96724966 _cell_length_c 4.96724966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeCdGa _chemical_...
BeCdGaLa
F-43m
216
cubic
-43m
6,324.089964
false
[CIF] data_LiIn2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61153106 _cell_length_b 4.61153106 _cell_length_c 3.26749444 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiIn2Os _chemical_fo...
In2LiOs
P4/mmm
123
tetragonal
4/mmm
10,199.64908
false
[CIF] data_Li2MgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79764361 _cell_length_b 4.79764361 _cell_length_c 4.79764361 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MgSe _chemical_fo...
Li2MgSe
Fm-3m
225
cubic
m-3m
2,491.215608
false
[CIF] data_TeI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37545914 _cell_length_b 8.37777091 _cell_length_c 10.09416086 _cell_angle_alpha 89.83233380 _cell_angle_beta 76.47118596 _cell_angle_gamma 75.45244811 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeI _chemical_formula_s...
I8Te8
P-1
2
triclinic
-1
5,081.192452
false
[CIF] data_BaRuRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18095583 _cell_length_b 3.18095583 _cell_length_c 7.77377258 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaRuRh2 _chemical_fo...
BaRh2Ru
P4mm
99
tetragonal
4mm
9,377.549145
false
[CIF] data_BeAl3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19740692 _cell_length_b 4.19740692 _cell_length_c 4.19740692 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAl3Ir _chemical_fo...
Al3BeIr
Pm-3m
221
cubic
m-3m
6,336.107811
false
[CIF] data_InSnAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17683638 _cell_length_b 6.17683638 _cell_length_c 6.17683638 _cell_angle_alpha 145.96005921 _cell_angle_beta 132.20931459 _cell_angle_gamma 59.96767107 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSnAs2 _chemical_...
As2InSn
Imm2
44
orthorhombic
mm2
6,575.8462
false
[CIF] data_Zr2SnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49415334 _cell_length_b 4.49415334 _cell_length_c 4.33448131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2SnHg _chemical_fo...
HgSnZr2
P4/mmm
123
tetragonal
4/mmm
9,517.168982
false
[CIF] data_LiCrAgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31936080 _cell_length_b 4.31936080 _cell_length_c 4.31936080 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrAgMo _chemical_...
AgCrLiMo
F-43m
216
cubic
-43m
7,657.264723
false
[CIF] data_Re2AgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00279724 _cell_length_b 3.00279724 _cell_length_c 8.18959799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2AgBr _chemical_fo...
AgBrRe2
P4mm
99
tetragonal
4mm
12,596.993454
false
[CIF] data_GeAu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20368359 _cell_length_b 4.20368359 _cell_length_c 7.12925276 _cell_angle_alpha 108.65990849 _cell_angle_beta 108.65990849 _cell_angle_gamma 54.19998801 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeAu2Br _chemical_...
Au2BrGe
Cm
8
monoclinic
m
9,516.922139
false
[CIF] data_Ta2AlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83883250 _cell_length_b 2.83883250 _cell_length_c 7.88809404 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2AlCu _chemical_fo...
AlCuTa2
P4mm
99
tetragonal
4mm
11,817.958013
false
[CIF] data_CrHgPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51308755 _cell_length_b 4.51308755 _cell_length_c 4.51308755 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrHgPtRh _chemical_...
CrHgPtRh
F-43m
216
cubic
-43m
14,065.649164
false
[CIF] data_BaLiCaTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62189113 _cell_length_b 5.62189113 _cell_length_c 5.62189113 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiCaTi _chemical_...
BaCaLiTi
F-43m
216
cubic
-43m
3,069.045532
false
[CIF] data_TiAsP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90872581 _cell_length_b 4.90872581 _cell_length_c 4.90872581 _cell_angle_alpha 139.79685914 _cell_angle_beta 125.68164902 _cell_angle_gamma 69.69351965 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAsP2 _chemical_fo...
AsP2Ti
Immm
71
orthorhombic
mmm
5,036.065256
false
[CIF] data_TiTl2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36941973 _cell_length_b 5.36941973 _cell_length_c 5.36941973 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTl2Bi _chemical_fo...
BiTiTl2
F-43m
216
cubic
-43m
10,097.281898
false
[CIF] data_Mg2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38298951 _cell_length_b 4.38298951 _cell_length_c 4.38298951 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Be _chemical_formul...
Be4Mg8
Fm-3m
225
cubic
m-3m
1,607.09852
false
[CIF] data_ReO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74920000 _cell_length_b 3.74920000 _cell_length_c 3.74920000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReO3 _chemical_formula_...
O3Re
Pm-3m
221
cubic
m-3m
7,379.548745
false
[CIF] data_NbRe2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60983693 _cell_length_b 4.04163220 _cell_length_c 5.71239549 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRe2Ni _chemical_fo...
NbNiRe2
Pmmm
47
orthorhombic
mmm
14,441.203118
false
[CIF] data_CrAgBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68914510 _cell_length_b 4.68914510 _cell_length_c 4.68914510 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAgBiIr _chemical_...
AgBiCrIr
F-43m
216
cubic
-43m
12,778.906804
false
[CIF] data_TePd2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42493923 _cell_length_b 3.42493923 _cell_length_c 5.81750790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TePd2Rh _chemical_fo...
Pd2RhTe
P4mm
99
tetragonal
4mm
10,788.192329
false
[CIF] data_FeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67766596 _cell_length_b 2.67766596 _cell_length_c 6.44193178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeIr2 _chemical_formu...
FeIr2
P-3m1
164
trigonal
-3m
18,277.530588
false
[CIF] data_Ag2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01019262 _cell_length_b 5.01019262 _cell_length_c 5.01019262 _cell_angle_alpha 144.19450595 _cell_angle_beta 131.49007269 _cell_angle_gamma 61.73840038 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2Ge _chemical_form...
Ag2Ge
Immm
71
orthorhombic
mmm
8,781.942661
false
[CIF] data_CaRhBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93962810 _cell_length_b 5.93962810 _cell_length_c 5.93962810 _cell_angle_alpha 146.04024528 _cell_angle_beta 146.04024528 _cell_angle_gamma 48.78698906 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaRhBr _chemical_fo...
BrCaRh
I4mm
107
tetragonal
4mm
5,685.057797
false
[CIF] data_CaTiRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67922138 _cell_length_b 4.67922138 _cell_length_c 4.67922138 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTiRhAu _chemical_...
AuCaRhTi
F-43m
216
cubic
-43m
8,889.354715
false
[CIF] data_HfGe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96438246 _cell_length_b 4.96438246 _cell_length_c 4.96438246 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGe2Te _chemical_fo...
Ge2HfTe
F-43m
216
cubic
-43m
8,663.653791
false
[CIF] data_MnSiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73487914 _cell_length_b 2.73487914 _cell_length_c 5.93432213 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSiRh _chemical_for...
MnRhSi
P3m1
156
trigonal
3m
8,031.90032
false
[CIF] data_AlGe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49926808 _cell_length_b 4.49926808 _cell_length_c 3.28611121 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.67906592 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGe2Mo _chemical_f...
AlGe2Mo
Cmmm
65
orthorhombic
mmm
6,921.312235
false
[CIF] data_ZnReNiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26157590 _cell_length_b 4.26157590 _cell_length_c 4.26157590 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnReNiIr _chemical_...
IrNiReZn
F-43m
216
cubic
-43m
15,247.09934
false
[CIF] data_Li2TlSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19181113 _cell_length_b 5.19181113 _cell_length_c 5.19181113 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TlSb _chemical_fo...
Li2SbTl
F-43m
216
cubic
-43m
5,705.827939
false
[CIF] data_CaCrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02497879 _cell_length_b 3.02497879 _cell_length_c 7.28493855 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCrRh2 _chemical_fo...
CaCrRh2
P4/mmm
123
tetragonal
4/mmm
7,420.753974
false
[CIF] data_TcSb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34518849 _cell_length_b 3.34083879 _cell_length_c 8.15066682 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.84414000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcSb2Br _chemical_fo...
BrSb2Tc
P2/m
10
monoclinic
2/m
7,754.215109
false
[CIF] data_KBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65134841 _cell_length_b 4.65134841 _cell_length_c 4.65134841 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBr _chemical_formula_su...
Br4K4
Fm-3m
225
cubic
m-3m
2,777.044484
false
[CIF] data_YCr2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76497729 _cell_length_b 2.76497729 _cell_length_c 8.50355611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCr2Pt _chemical_form...
Cr2PtY
P4/mmm
123
tetragonal
4/mmm
9,910.076613
false
[CIF] data_BaCd2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34093885 _cell_length_b 5.34093885 _cell_length_c 5.34093885 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCd2W _chemical_form...
BaCd2W
Fm-3m
225
cubic
m-3m
8,415.795447
false
[CIF] data_NbCd2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89332370 _cell_length_b 2.89332370 _cell_length_c 8.01759775 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCd2B _chemical_form...
BCd2Nb
P4/mmm
123
tetragonal
4/mmm
8,128.271814
false
[CIF] data_LiTiFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18113466 _cell_length_b 4.18113466 _cell_length_c 2.54367326 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiFe _chemical_for...
FeLiTi
P3m1
156
trigonal
3m
4,771.24837
false
[CIF] data_LiBe2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24355929 _cell_length_b 3.24355929 _cell_length_c 5.52416976 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.90810076 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBe2Tl _chemical_fo...
Be2LiTl
Cmmm
65
orthorhombic
mmm
6,600.835972
false
[CIF] data_ZrCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02536169 _cell_length_b 7.02536169 _cell_length_c 3.20437261 _cell_angle_alpha 101.81870926 _cell_angle_beta 101.81870926 _cell_angle_gamma 26.36552237 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCl2 _chemical_form...
Cl4Zr2
C2/m
12
monoclinic
2/m
3,920.876796
false
[CIF] data_TlRuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69435741 _cell_length_b 4.69435741 _cell_length_c 4.69435741 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlRuSe _chemical_form...
RuSeTl
F-43m
216
cubic
-43m
8,726.378445
false
[CIF] data_AlCoBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55148764 _cell_length_b 3.38619914 _cell_length_c 7.29000170 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.46846766 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCoBr2 _chemical_fo...
AlBr2Co
Pm
6
monoclinic
m
4,718.471991
false
[CIF] data_Fe2MoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24231827 _cell_length_b 4.24231827 _cell_length_c 4.24231827 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2MoIr _chemical_fo...
Fe2IrMo
Fm-3m
225
cubic
m-3m
12,299.00325
false
[CIF] data_KBaPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26400805 _cell_length_b 5.26400805 _cell_length_c 4.13599157 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.19488468 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaPd2 _chemical_for...
BaKPd2
Cmmm
65
orthorhombic
mmm
5,749.435739
false
[CIF] data_LiCa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65405545 _cell_length_b 3.97589744 _cell_length_c 5.64949090 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCa _chemical_formula_...
Ca2Li2
Pmma
51
orthorhombic
mmm
1,229.558311
false
[CIF] data_HfCoNiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33361877 _cell_length_b 4.33361877 _cell_length_c 4.33361877 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoNiOs _chemical_...
CoHfNiOs
F-43m
216
cubic
-43m
14,033.237128
false
[CIF] data_TaIr2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63145902 _cell_length_b 4.63145902 _cell_length_c 4.63145902 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaIr2Pb _chemical_fo...
Ir2PbTa
F-43m
216
cubic
-43m
18,262.285848
false
[CIF] data_Cu4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65116824 _cell_length_b 4.65116824 _cell_length_c 4.65116824 _cell_angle_alpha 99.05039390 _cell_angle_beta 99.05039390 _cell_angle_gamma 133.26658274 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4Se _chemical_formu...
Cu4Se
I4/m
87
tetragonal
4/m
8,224.791579
false
[CIF] data_CaGePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60101191 _cell_length_b 5.60101191 _cell_length_c 5.60101191 _cell_angle_alpha 45.93238819 _cell_angle_beta 45.93238819 _cell_angle_gamma 45.93238819 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGePt2 _chemical_fo...
CaGePt2
R-3m
166
trigonal
-3m
10,093.7016
false
[CIF] data_TmZr2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87719685 _cell_length_b 4.87719685 _cell_length_c 4.87719685 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmZr2Be _chemical_fo...
BeTmZr2
Fm-3m
225
cubic
m-3m
7,295.100266
false
[CIF] data_MnWAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95314094 _cell_length_b 4.95314094 _cell_length_c 4.96242307 _cell_angle_alpha 98.78134995 _cell_angle_beta 98.78134995 _cell_angle_gamma 32.94899537 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnWAu2 _chemical_form...
Au2MnW
C2/m
12
monoclinic
2/m
16,071.671522
false
[CIF] data_Te3IrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29696018 _cell_length_b 5.29696018 _cell_length_c 5.29696018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te3IrAu _chemical_fo...
AuIrTe3
Pm-3m
221
cubic
m-3m
8,625.356018
false
[CIF] data_CoRe2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77763156 _cell_length_b 3.77763156 _cell_length_c 4.61208267 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoRe2Bi _chemical_fo...
BiCoRe2
P4/mmm
123
tetragonal
4/mmm
16,155.30034
false
[CIF] data_KPd2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00217195 _cell_length_b 5.00217195 _cell_length_c 5.00217195 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPd2Br _chemical_form...
BrKPd2
F-43m
216
cubic
-43m
6,226.155874
false
[CIF] data_MgTe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67106698 _cell_length_b 3.67106698 _cell_length_c 7.83434376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTe2Pd _chemical_fo...
MgPdTe2
P4mm
99
tetragonal
4mm
6,069.665665
false
[CIF] data_Ti2InCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48880620 _cell_length_b 4.48880620 _cell_length_c 4.48880620 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2InCo _chemical_fo...
CoInTi2
F-43m
216
cubic
-43m
6,996.912469
false
[CIF] data_DyCdW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75461986 _cell_length_b 4.75461986 _cell_length_c 4.75461986 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyCdW2 _chemical_form...
CdDyW2
Fm-3m
225
cubic
m-3m
14,039.490047
false
[CIF] data_ScGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28397206 _cell_length_b 3.28397206 _cell_length_c 4.29788644 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGe _chemical_formula...
GeSc
P-6m2
187
hexagonal
-6m2
4,864.708782
false
[CIF] data_NbSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78912046 _cell_length_b 5.78912046 _cell_length_c 18.42886055 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSe3 _chemical_form...
Nb6Se18
P6_3/mmc
194
hexagonal
6/mmm
6,142.975389
false
[CIF] data_Ba2TiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30212894 _cell_length_b 4.20772908 _cell_length_c 8.02996929 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.54619996 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TiNi _chemical_f...
Ba2NiTi
Pm
6
monoclinic
m
4,499.06681
false
[CIF] data_LiRe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94495465 _cell_length_b 4.94495465 _cell_length_c 4.57780800 _cell_angle_alpha 97.84398928 _cell_angle_beta 97.84398928 _cell_angle_gamma 31.74629780 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiRe2Pd _chemical_fo...
LiPdRe2
C2/m
12
monoclinic
2/m
13,835.702954
false
[CIF] data_NaSb4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26920332 _cell_length_b 6.26920332 _cell_length_c 6.26920332 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSb4Se _chemical_fo...
NaSb4Se
F-43m
216
cubic
-43m
5,613.513634
false
[CIF] data_MgBeCdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74004958 _cell_length_b 4.74004958 _cell_length_c 4.74004958 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBeCdHg _chemical_...
BeCdHgMg
F-43m
216
cubic
-43m
7,636.436341
false
[CIF] data_YSi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23759495 _cell_length_b 5.23759495 _cell_length_c 4.89485929 _cell_angle_alpha 105.15523351 _cell_angle_beta 105.15523351 _cell_angle_gamma 32.43267677 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSi2W _chemical_form...
Si2WY
Cm
8
monoclinic
m
7,882.094164
false
[CIF] data_CsOs3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58541398 _cell_length_b 4.58541398 _cell_length_c 4.58541398 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsOs3S _chemical_form...
CsOs3S
Pm-3m
221
cubic
m-3m
12,670.415442
false
[CIF] data_YEr2Tm _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61541660 _cell_length_b 5.61541660 _cell_length_c 5.61541660 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YEr2Tm _chemical_form...
Er2TmY
Fm-3m
225
cubic
m-3m
7,856.017676
false
[CIF] data_Mn2TcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74507871 _cell_length_b 8.74507871 _cell_length_c 8.74507871 _cell_angle_alpha 17.53863061 _cell_angle_beta 17.53863061 _cell_angle_gamma 17.53863061 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2TcMo _chemical_fo...
Mn2MoTc
R3m
160
trigonal
3m
9,546.490995
false
[CIF] data_CdSb2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10640160 _cell_length_b 5.10640160 _cell_length_c 3.72550622 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSb2As _chemical_fo...
AsCdSb2
P4/mmm
123
tetragonal
4/mmm
7,364.827644
false
[CIF] data_BeCuPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13968182 _cell_length_b 5.13968182 _cell_length_c 5.13968182 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCuPd4 _chemical_fo...
BeCuPd4
F-43m
216
cubic
-43m
8,617.720379
false
[CIF] data_NaZrTa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10728300 _cell_length_b 4.10728300 _cell_length_c 4.75897289 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrTa2 _chemical_fo...
NaTa2Zr
P4/mmm
123
tetragonal
4/mmm
9,847.669967
false
[CIF] data_Zn2BAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11430604 _cell_length_b 3.51994759 _cell_length_c 4.37947865 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.41968188 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2BAs _chemical_for...
AsBZn2
P2/m
10
monoclinic
2/m
6,010.011328
false
[CIF] data_Bi2SbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90526709 _cell_length_b 3.90526709 _cell_length_c 7.67938874 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2SbCl _chemical_fo...
Bi2ClSb
P4/mmm
123
tetragonal
4/mmm
8,154.944858
false
[CIF] data_Ca2LaTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07467960 _cell_length_b 7.07467960 _cell_length_c 7.07467960 _cell_angle_alpha 147.23117586 _cell_angle_beta 131.95806328 _cell_angle_gamma 59.37294979 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2LaTl _chemical_...
Ca2LaTl
Imm2
44
orthorhombic
mm2
4,976.550438
false
[CIF] data_Li4ScNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33284900 _cell_length_b 5.33284900 _cell_length_c 5.33284900 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4ScNb _chemical_fo...
Li4NbSc
F-43m
216
cubic
-43m
2,564.57565
false
[CIF] data_InFePdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41655220 _cell_length_b 4.41655220 _cell_length_c 4.41655220 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InFePdRh _chemical_...
FeInPdRh
F-43m
216
cubic
-43m
10,358.203647
false
[CIF] data_LiTcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67970075 _cell_length_b 4.67970075 _cell_length_c 4.67970075 _cell_angle_alpha 139.56463613 _cell_angle_beta 139.56463613 _cell_angle_gamma 58.51493692 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTcW _chemical_form...
LiTcW
I4mm
107
tetragonal
4mm
11,262.001901
false
[CIF] data_Re2SbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42497156 _cell_length_b 4.42497156 _cell_length_c 5.55521490 _cell_angle_alpha 101.82559349 _cell_angle_beta 101.82559349 _cell_angle_gamma 40.76338498 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2SbSe _chemical_...
Re2SbSe
C2/m
12
monoclinic
2/m
13,732.420477
false
[CIF] data_TaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36841097 _cell_length_b 2.88819898 _cell_length_c 8.90625160 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAg2 _chemical_formul...
Ag8Ta4
Pnma
62
orthorhombic
mmm
12,240.213951
false
[CIF] data_SnAsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07849686 _cell_length_b 4.07849686 _cell_length_c 5.03190887 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnAsSe _chemical_for...
AsSeSn
P3m1
156
trigonal
3m
6,244.503347
false
[CIF] data_NaVTcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44416884 _cell_length_b 4.44416884 _cell_length_c 4.44416884 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaVTcMo _chemical_fo...
MoNaTcV
F-43m
216
cubic
-43m
7,191.469158
false
[CIF] data_KLiNiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64573747 _cell_length_b 4.64573747 _cell_length_c 4.64573747 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiNiRu _chemical_fo...
KLiNiRu
F-43m
216
cubic
-43m
4,820.045858
false
[CIF] data_Lu2TaNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01162355 _cell_length_b 5.01162355 _cell_length_c 5.01162355 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2TaNb _chemical_fo...
Lu2NbTa
Fm-3m
225
cubic
m-3m
11,637.660632
false
[CIF] data_YHgIr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32434257 _cell_length_b 5.32434257 _cell_length_c 5.32434257 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHgIr4 _chemical_form...
HgIr4Y
F-43m
216
cubic
-43m
16,466.493252
false
[CIF] data_NaAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22373913 _cell_length_b 5.22373913 _cell_length_c 5.22373913 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAu4 _chemical_for...
Au4Na
Im-3m
229
cubic
m-3m
12,270.727369
false
[CIF] data_Y4AgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15599304 _cell_length_b 6.15599304 _cell_length_c 6.15599304 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4AgPd _chemical_form...
AgPdY4
F-43m
216
cubic
-43m
5,736.899377
false
[CIF] data_KTh2Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45053463 _cell_length_b 5.45053463 _cell_length_c 5.45053463 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTh2Nb _chemical_form...
KNbTh2
Fm-3m
225
cubic
m-3m
8,644.739644
false
[CIF] data_NaH4BrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47338557 _cell_length_b 10.10299875 _cell_length_c 6.60786789 _cell_angle_alpha 90.00000000 _cell_angle_beta 113.43062816 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaH4BrO2 _chemica...
Br4H16Na4O8
P2_1/c
14
monoclinic
2/m
2,327.11704
false
[CIF] data_V2AgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07553814 _cell_length_b 3.07553814 _cell_length_c 7.62044187 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2AgBi _chemical_form...
AgBiV2
P4/mmm
123
tetragonal
4/mmm
9,646.337336
false
[CIF] data_VWO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91306300 _cell_length_b 3.91306300 _cell_length_c 3.91306300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VWO3 _chemical_formula_...
O3VW
Pm-3m
221
cubic
m-3m
7,836.945141
false
[CIF] data_Ga2RhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82821682 _cell_length_b 4.34321373 _cell_length_c 5.08477016 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.25306509 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2RhW _chemical_for...
Ga2RhW
Pm
6
monoclinic
m
11,594.884161
false
[CIF] data_CaTa4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57320637 _cell_length_b 5.57320637 _cell_length_c 5.57320637 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTa4Pd _chemical_fo...
CaPdTa4
F-43m
216
cubic
-43m
11,806.263549
false
[CIF] data_Zn2CrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39732869 _cell_length_b 3.39732869 _cell_length_c 6.12107927 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CrBi _chemical_fo...
BiCrZn2
P4mm
99
tetragonal
4mm
9,207.664978
false
[CIF] data_NiAg2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09517081 _cell_length_b 3.09517081 _cell_length_c 7.79855797 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAg2Sb _chemical_fo...
Ag2NiSb
P4/mmm
123
tetragonal
4/mmm
8,805.800479
false
[CIF] data_Fe2BiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50760040 _cell_length_b 4.50760040 _cell_length_c 4.50760040 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2BiW _chemical_form...
BiFe2W
F-43m
216
cubic
-43m
12,935.939988
false
[CIF] data_CrRh2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77255713 _cell_length_b 4.77255713 _cell_length_c 4.56850795 _cell_angle_alpha 96.45580048 _cell_angle_beta 96.45580048 _cell_angle_gamma 35.67039944 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrRh2Br _chemical_fo...
BrCrRh2
C2/m
12
monoclinic
2/m
9,306.991982
false
[CIF] data_Hf2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61407172 _cell_length_b 5.61407172 _cell_length_c 5.61407172 _cell_angle_alpha 104.08601826 _cell_angle_beta 104.08601826 _cell_angle_gamma 120.88010963 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Hg _chemical_for...
Hf4Hg2
I4/mcm
140
tetragonal
4/mmm
14,018.285449
false