formula
stringlengths
1
25
density
float64
0.02
26.6
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
cif
stringlengths
632
17.9k
is_longer_than_allowed
bool
2 classes
BaTaF7
4.903365
P2_1/c
14
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.187 _cell_length_b 5.762 _cell_length_c 10.423 _cell_angle_alpha 87.690 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTaF7 _chemical_formula_sum 'Ba4 Ta4 F28' _ce...
false
LiCr6(OF)4
3.725778
P1
1
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.748 _cell_length_b 6.486 _cell_length_c 5.727 _cell_angle_alpha 90.915 _cell_angle_beta 106.375 _cell_angle_gamma 86.870 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCr6(OF)4 _chemical_formula_sum 'Li1 Cr6 O4 F4...
false
KU2H5C4O15
3.563208
P2_1/m
11
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.984 _cell_length_b 5.816 _cell_length_c 9.354 _cell_angle_alpha 81.995 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KU2H5C4O15 _chemical_formula_sum 'K2 U4 H10 C8 ...
false
K4TmP8(N4O17)2
2.047011
C2/c
15
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.994 _cell_length_b 10.994 _cell_length_c 19.173 _cell_angle_alpha 84.962 _cell_angle_beta 84.962 _cell_angle_gamma 59.876 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4TmP8(N4O17)2 _chemical_formula_sum 'K8 Tm2 ...
true
Yb2FeS4
5.424538
C2/m
12
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.698 _cell_length_b 7.698 _cell_length_c 25.877 _cell_angle_alpha 81.040 _cell_angle_beta 81.040 _cell_angle_gamma 59.393 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb2FeS4 _chemical_formula_sum 'Yb16 Fe8 S32' _c...
true
K4Al3(SiO4)3
2.079891
P-43n
218
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.360 _cell_length_b 9.360 _cell_length_c 9.360 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4Al3(SiO4)3 _chemical_formula_sum 'K8 Al6 Si6 O...
false
MnFeBiO5
6.792707
Pbam
55
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.864 _cell_length_b 7.629 _cell_length_c 8.738 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnFeBiO5 _chemical_formula_sum 'Mn4 Fe4 Bi4 O20'...
false
YU3
14.417195
I4/mmm
139
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.695 _cell_length_b 5.695 _cell_length_c 5.695 _cell_angle_alpha 134.509 _cell_angle_beta 134.509 _cell_angle_gamma 66.294 _symmetry_Int_Tables_number 1 _chemical_formula_structural YU3 _chemical_formula_sum 'Y1 U3' _cell_volume...
false
Er2CuAs3
0.296742
P4/mmm
123
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.321 _cell_length_b 9.321 _cell_length_c 40.114 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2CuAs3 _chemical_formula_sum 'Er2 Cu1 As3' _c...
false
HfB2
11.237732
P6/mmm
191
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.133 _cell_length_b 3.133 _cell_length_c 3.479 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfB2 _chemical_formula_sum 'Hf1 B2' _cell_volum...
false
Ce4In5S13
4.93284
Pbam
55
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.975 _cell_length_b 12.063 _cell_length_c 21.783 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce4In5S13 _chemical_formula_sum 'Ce8 In10 S26'...
false
KMnVO4
3.344337
P2_1/c
14
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.720 _cell_length_b 12.291 _cell_length_c 24.294 _cell_angle_alpha 76.388 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnVO4 _chemical_formula_sum 'K16 Mn16 V16 O64...
true
AcCuO3
9.380471
Pm-3m
221
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.913 _cell_length_b 3.913 _cell_length_c 3.913 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcCuO3 _chemical_formula_sum 'Ac1 Cu1 O3' _cell_...
false
VSiNi
6.348184
Pnma
62
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.508 _cell_length_b 5.970 _cell_length_c 6.879 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSiNi _chemical_formula_sum 'V4 Si4 Ni4' _cell_v...
false
Ba4Nd8Cu3PtO20
7.358264
P2/m
10
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.909 _cell_length_b 6.781 _cell_length_c 13.567 _cell_angle_alpha 89.856 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Nd8Cu3PtO20 _chemical_formula_sum 'Ba4 Nd8 C...
false
Pr(Mg4Al3)4
2.384262
I-43m
217
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.175 _cell_length_b 9.175 _cell_length_c 9.175 _cell_angle_alpha 109.471 _cell_angle_beta 109.471 _cell_angle_gamma 109.471 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr(Mg4Al3)4 _chemical_formula_sum 'Pr1 Mg16 A...
false
PrCd2
7.768986
P6/mmm
191
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.062 _cell_length_b 5.062 _cell_length_c 3.522 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrCd2 _chemical_formula_sum 'Pr1 Cd2' _cell_vol...
false
Ca2TaFeO6
5.664424
P2_1/m
11
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.812 _cell_length_b 5.480 _cell_length_c 5.655 _cell_angle_alpha 89.659 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TaFeO6 _chemical_formula_sum 'Ca4 Ta2 Fe2 O12...
false
Ta2CuRe
1.330886
Immm
71
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.300 _cell_length_b 10.300 _cell_length_c 10.300 _cell_angle_alpha 123.283 _cell_angle_beta 117.971 _cell_angle_gamma 88.980 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2CuRe _chemical_formula_sum 'Ta2 Cu1 Re1'...
false
MnF4
3.701553
P-1
2
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.864 _cell_length_b 5.240 _cell_length_c 6.956 _cell_angle_alpha 96.301 _cell_angle_beta 90.895 _cell_angle_gamma 89.927 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnF4 _chemical_formula_sum 'Mn3 F12' _cell_volum...
false
Rb2YGa(SiO3)4
3.452753
C2/c
15
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.948 _cell_length_b 13.948 _cell_length_c 14.885 _cell_angle_alpha 58.067 _cell_angle_beta 58.067 _cell_angle_gamma 30.222 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2YGa(SiO3)4 _chemical_formula_sum 'Rb8 Y4 G...
true
As12S13
2.512568
P1
1
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.935 _cell_length_b 9.947 _cell_length_c 27.881 _cell_angle_alpha 84.818 _cell_angle_beta 52.619 _cell_angle_gamma 84.646 _symmetry_Int_Tables_number 1 _chemical_formula_structural As12S13 _chemical_formula_sum 'As24 S26' _cell_...
false
RbZrCu3Se4
4.432794
P-43m
215
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.349 _cell_length_b 6.349 _cell_length_c 6.349 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbZrCu3Se4 _chemical_formula_sum 'Rb1 Zr1 Cu3 Se...
false
Mg(SbO2)2
5.144749
C2/m
12
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.289 _cell_length_b 5.474 _cell_length_c 6.853 _cell_angle_alpha 66.772 _cell_angle_beta 76.114 _cell_angle_gamma 72.516 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg(SbO2)2 _chemical_formula_sum 'Mg1 Sb2 O4' _ce...
false
Na2Li3GaO4
3.013498
Pnnm
58
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.592 _cell_length_b 8.035 _cell_length_c 8.344 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Li3GaO4 _chemical_formula_sum 'Na8 Li12 Ga4 O...
false
Li2MnV3O8
3.806087
P1
1
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.968 _cell_length_b 6.031 _cell_length_c 10.328 _cell_angle_alpha 106.599 _cell_angle_beta 90.001 _cell_angle_gamma 60.348 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MnV3O8 _chemical_formula_sum 'Li4 Mn2 V6 O1...
false
PuP2H6CO8
3.954231
P2_1/c
14
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.338 _cell_length_b 8.573 _cell_length_c 17.100 _cell_angle_alpha 90.000 _cell_angle_beta 103.999 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuP2H6CO8 _chemical_formula_sum 'Pu4 P8 H24 C4...
true
Bi2W2O9
8.766843
Pbcn
60
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.425 _cell_length_b 5.440 _cell_length_c 23.867 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2W2O9 _chemical_formula_sum 'Bi8 W8 O36' _cel...
false
SiTc2Ni
0.797281
Immm
71
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.469 _cell_length_b 9.469 _cell_length_c 9.469 _cell_angle_alpha 122.586 _cell_angle_beta 119.736 _cell_angle_gamma 88.019 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiTc2Ni _chemical_formula_sum 'Si1 Tc2 Ni1' _c...
false
Cs2WSO4
4.021613
R-3m
166
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.451 _cell_length_b 6.451 _cell_length_c 13.048 _cell_angle_alpha 75.688 _cell_angle_beta 75.688 _cell_angle_gamma 60.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2WSO4 _chemical_formula_sum 'Cs4 W2 S2 O8' _c...
false
Ga2RuPt
0.959649
Immm
71
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.370 _cell_length_b 10.370 _cell_length_c 10.370 _cell_angle_alpha 124.217 _cell_angle_beta 121.052 _cell_angle_gamma 85.517 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2RuPt _chemical_formula_sum 'Ga2 Ru1 Pt1'...
false
SmO
9.020265
Fm-3m
225
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.512 _cell_length_b 3.512 _cell_length_c 3.512 _cell_angle_alpha 60.000 _cell_angle_beta 60.000 _cell_angle_gamma 60.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmO _chemical_formula_sum 'Sm1 O1' _cell_volume ...
false
Mg30MnNbO32
3.660463
P4/mmm
123
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.566 _cell_length_b 8.566 _cell_length_c 8.586 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg30MnNbO32 _chemical_formula_sum 'Mg30 Mn1 Nb1 ...
true
CaMg6CO8
3.334421
P4/mmm
123
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.652 _cell_length_b 4.331 _cell_length_c 4.331 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg6CO8 _chemical_formula_sum 'Ca1 Mg6 C1 O8' _...
false
Ca3LaMn4O12
4.944751
P1
1
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.426 _cell_length_b 5.415 _cell_length_c 7.670 _cell_angle_alpha 89.973 _cell_angle_beta 89.669 _cell_angle_gamma 91.242 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3LaMn4O12 _chemical_formula_sum 'Ca3 La1 Mn4 O...
false
Na3Zn
1.915468
I4/mmm
139
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.064 _cell_length_b 6.064 _cell_length_c 6.064 _cell_angle_alpha 133.175 _cell_angle_beta 133.175 _cell_angle_gamma 68.379 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Zn _chemical_formula_sum 'Na3 Zn1' _cell_vo...
false
MoO2
5.106622
C2/m
12
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.247 _cell_length_b 3.247 _cell_length_c 5.072 _cell_angle_alpha 70.160 _cell_angle_beta 70.160 _cell_angle_gamma 57.521 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoO2 _chemical_formula_sum 'Mo1 O2' _cell_volume...
false
MgTiMn3O8
3.931737
P1
1
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.889 _cell_length_b 6.097 _cell_length_c 5.956 _cell_angle_alpha 58.996 _cell_angle_beta 62.025 _cell_angle_gamma 61.778 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiMn3O8 _chemical_formula_sum 'Mg1 Ti1 Mn3 O8'...
false
NaSb(PS3)2
2.701795
P2_1
4
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.703 _cell_length_b 6.643 _cell_length_c 9.604 _cell_angle_alpha 86.612 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSb(PS3)2 _chemical_formula_sum 'Na2 Sb2 P4 S12...
false
La2CeTe4
6.744201
C2
5
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.405 _cell_length_b 8.407 _cell_length_c 8.405 _cell_angle_alpha 109.475 _cell_angle_beta 109.487 _cell_angle_gamma 109.467 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2CeTe4 _chemical_formula_sum 'La4 Ce2 Te8' ...
false
MgTi2Si2(Ag2O5)2
4.104909
Cm
8
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.388 _cell_length_b 6.492 _cell_length_c 6.492 _cell_angle_alpha 89.589 _cell_angle_beta 87.011 _cell_angle_gamma 92.989 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi2Si2(Ag2O5)2 _chemical_formula_sum 'Mg1 Ti2 ...
false
Ba20Y10Cu(Ru3O20)3
6.110945
P2/m
10
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.970 _cell_length_b 11.972 _cell_length_c 59.810 _cell_angle_alpha 60.011 _cell_angle_beta 60.063 _cell_angle_gamma 60.090 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba20Y10Cu(Ru3O20)3 _chemical_formula_sum 'Ba40...
true
Cs2WBr6
4.830939
Fm-3m
225
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.672 _cell_length_b 7.672 _cell_length_c 7.672 _cell_angle_alpha 60.000 _cell_angle_beta 60.000 _cell_angle_gamma 60.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2WBr6 _chemical_formula_sum 'Cs2 W1 Br6' _cell...
false
SiH14C4S2(N4F3)2
1.533767
P-1
2
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.280 _cell_length_b 8.201 _cell_length_c 8.042 _cell_angle_alpha 87.079 _cell_angle_beta 86.675 _cell_angle_gamma 59.270 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiH14C4S2(N4F3)2 _chemical_formula_sum 'Si1 H14 ...
false
CeCdNi4
9.399935
F-43m
216
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.956 _cell_length_b 4.956 _cell_length_c 4.956 _cell_angle_alpha 60.002 _cell_angle_beta 60.002 _cell_angle_gamma 60.002 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeCdNi4 _chemical_formula_sum 'Ce1 Cd1 Ni4' _cel...
false
TlHg6S4Br5
6.690047
I4/m
87
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.246 _cell_length_b 11.246 _cell_length_c 11.246 _cell_angle_alpha 99.374 _cell_angle_beta 99.374 _cell_angle_gamma 132.396 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlHg6S4Br5 _chemical_formula_sum 'Tl2 Hg12 S...
false
Hf6Si7Ni16
10.131493
Fm-3m
225
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.997 _cell_length_b 7.997 _cell_length_c 7.997 _cell_angle_alpha 60.001 _cell_angle_beta 60.001 _cell_angle_gamma 60.001 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Si7Ni16 _chemical_formula_sum 'Hf6 Si7 Ni16' ...
false
SiO2
1.966994
Cmce
64
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.408 _cell_length_b 11.408 _cell_length_c 9.716 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 105.676 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiO2 _chemical_formula_sum 'Si24 O48' _cell_v...
true
LiMn2F5
3.428638
P2_1/c
14
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.951 _cell_length_b 6.505 _cell_length_c 9.130 _cell_angle_alpha 83.705 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2F5 _chemical_formula_sum 'Li4 Mn8 F20' _cel...
false
Tb2S3O20
3.012293
C2/c
15
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.485 _cell_length_b 7.485 _cell_length_c 18.355 _cell_angle_alpha 82.268 _cell_angle_beta 82.268 _cell_angle_gamma 52.752 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2S3O20 _chemical_formula_sum 'Tb4 S6 O40' _ce...
false
Ga3Te3Cl
4.809484
Pnma
62
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.115 _cell_length_b 10.963 _cell_length_c 19.208 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga3Te3Cl _chemical_formula_sum 'Ga12 Te12 Cl4'...
false
PrCl3O7
2.73981
P-1
2
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.600 _cell_length_b 7.238 _cell_length_c 8.133 _cell_angle_alpha 89.050 _cell_angle_beta 100.843 _cell_angle_gamma 82.729 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrCl3O7 _chemical_formula_sum 'Pr2 Cl6 O14' _ce...
false
LuSnF7
5.720524
P2_1/c
14
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.468 _cell_length_b 8.678 _cell_length_c 11.744 _cell_angle_alpha 62.734 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuSnF7 _chemical_formula_sum 'Lu4 Sn4 F28' _cel...
false
Te4Mo3W(SeS)2
5.17598
P3m1
156
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.392 _cell_length_b 3.392 _cell_length_c 38.766 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te4Mo3W(SeS)2 _chemical_formula_sum 'Te4 Mo3 W...
false
KEu(PO3)4
3.255777
P2_1
4
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.606 _cell_length_b 7.380 _cell_length_c 8.147 _cell_angle_alpha 88.187 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KEu(PO3)4 _chemical_formula_sum 'K2 Eu2 P8 O24' ...
false
GdHoTl2
11.193408
Fm-3m
225
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.353 _cell_length_b 5.353 _cell_length_c 5.353 _cell_angle_alpha 60.000 _cell_angle_beta 60.000 _cell_angle_gamma 60.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdHoTl2 _chemical_formula_sum 'Gd1 Ho1 Tl2' _cel...
false
K3As
2.14708
P6_3/mmc
194
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.789 _cell_length_b 5.789 _cell_length_c 10.243 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3As _chemical_formula_sum 'K6 As2' _cell_volu...
false
CsYbCoSe3
5.317427
Cmcm
63
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.425 _cell_length_b 8.425 _cell_length_c 11.262 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 151.958 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsYbCoSe3 _chemical_formula_sum 'Cs2 Yb2 Co2 S...
false
Li3MnCo3O8
4.690392
R-3m
166
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.835 _cell_length_b 5.835 _cell_length_c 5.835 _cell_angle_alpha 58.223 _cell_angle_beta 58.223 _cell_angle_gamma 58.223 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3MnCo3O8 _chemical_formula_sum 'Li3 Mn1 Co3 O8...
false
Ag3SI
6.417371
R32
155
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.999 _cell_length_b 4.999 _cell_length_c 4.999 _cell_angle_alpha 91.008 _cell_angle_beta 91.008 _cell_angle_gamma 91.008 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag3SI _chemical_formula_sum 'Ag3 S1 I1' _cell_vo...
false
Lu4V4O13
7.272253
C2/m
12
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.045 _cell_length_b 7.045 _cell_length_c 12.476 _cell_angle_alpha 72.194 _cell_angle_beta 72.194 _cell_angle_gamma 61.288 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4V4O13 _chemical_formula_sum 'Lu8 V8 O26' _ce...
false
Cs2VH2(OF2)2
3.794214
P-1
2
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.570 _cell_length_b 7.126 _cell_length_c 8.643 _cell_angle_alpha 88.626 _cell_angle_beta 67.676 _cell_angle_gamma 86.382 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2VH2(OF2)2 _chemical_formula_sum 'Cs4 V2 H4 O4...
false
Ba4Al5
3.887525
P-6m2
187
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.117 _cell_length_b 6.117 _cell_length_c 18.041 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Al5 _chemical_formula_sum 'Ba8 Al10' _cell_...
false
Sr3Li4La5O12
5.722465
Pm
6
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.591 _cell_length_b 6.987 _cell_length_c 13.614 _cell_angle_alpha 89.943 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3Li4La5O12 _chemical_formula_sum 'Sr3 Li4 La5...
false
MgCr(SiO3)2
3.336129
C2/c
15
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.391 _cell_length_b 6.736 _cell_length_c 6.736 _cell_angle_alpha 84.362 _cell_angle_beta 74.698 _cell_angle_gamma 74.698 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCr(SiO3)2 _chemical_formula_sum 'Mg2 Cr2 Si4 O...
false
USnPd
12.256211
P-3m1
164
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.108 _cell_length_b 5.108 _cell_length_c 5.553 _cell_angle_alpha 89.994 _cell_angle_beta 90.006 _cell_angle_gamma 119.984 _symmetry_Int_Tables_number 1 _chemical_formula_structural USnPd _chemical_formula_sum 'U2 Sn2 Pd2' _cell_...
false
Mg2Si3
2.445276
P-1
2
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.724 _cell_length_b 5.560 _cell_length_c 7.830 _cell_angle_alpha 92.434 _cell_angle_beta 102.612 _cell_angle_gamma 114.579 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Si3 _chemical_formula_sum 'Mg4 Si6' _cell_v...
false
LiCrPO4F
2.714357
Pna2_1
33
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.297 _cell_length_b 10.576 _cell_length_c 12.708 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrPO4F _chemical_formula_sum 'Li8 Cr8 P8 O32...
true
Li2VP2O7
2.66751
P1
1
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.124 _cell_length_b 5.116 _cell_length_c 13.497 _cell_angle_alpha 102.769 _cell_angle_beta 100.938 _cell_angle_gamma 59.921 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2VP2O7 _chemical_formula_sum 'Li4 V2 P4 O14...
false
Te4Pd9
10.269498
P2_1/c
14
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.520 _cell_length_b 8.964 _cell_length_c 14.092 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 91.596 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te4Pd9 _chemical_formula_sum 'Te16 Pd36' _cell_...
true
Mg5Si9
2.531879
P1
1
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.749 _cell_length_b 7.238 _cell_length_c 12.673 _cell_angle_alpha 84.940 _cell_angle_beta 78.303 _cell_angle_gamma 71.992 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si9 _chemical_formula_sum 'Mg10 Si18' _cell_...
false
LiMnSnO4
4.978568
P4_322
95
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.949 _cell_length_b 5.949 _cell_length_c 9.221 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnSnO4 _chemical_formula_sum 'Li4 Mn4 Sn4 O16'...
false
ZnH10C4N6(ClO2)2
1.97068
P2_1/c
14
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.366 _cell_length_b 8.150 _cell_length_c 11.708 _cell_angle_alpha 55.188 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnH10C4N6(ClO2)2 _chemical_formula_sum 'Zn2 H20...
false
Te7WCl5O
4.829855
Pcca
54
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.781 _cell_length_b 8.362 _cell_length_c 26.852 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te7WCl5O _chemical_formula_sum 'Te28 W4 Cl20 O4...
true
GdAu2
14.223679
I4/mmm
139
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.764 _cell_length_b 3.764 _cell_length_c 5.263 _cell_angle_alpha 110.932 _cell_angle_beta 110.941 _cell_angle_gamma 89.989 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdAu2 _chemical_formula_sum 'Gd1 Au2' _cell_vo...
false
Nd2TlHg
10.029462
Fm-3m
225
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.456 _cell_length_b 5.456 _cell_length_c 5.456 _cell_angle_alpha 60.000 _cell_angle_beta 60.000 _cell_angle_gamma 60.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2TlHg _chemical_formula_sum 'Nd2 Tl1 Hg1' _cel...
false
Na7CaSc3Si3(SO8)3
2.646545
P1
1
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.263 _cell_length_b 9.254 _cell_length_c 22.783 _cell_angle_alpha 90.365 _cell_angle_beta 89.832 _cell_angle_gamma 119.801 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na7CaSc3Si3(SO8)3 _chemical_formula_sum 'Na21 ...
true
Al3(PO4)4
1.109664
P-3c1
165
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.168 _cell_length_b 13.168 _cell_length_c 18.370 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3(PO4)4 _chemical_formula_sum 'Al12 P16 O6...
true
Ag2GePbS4
5.680462
Ama2
40
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.234 _cell_length_b 6.234 _cell_length_c 10.180 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 112.788 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2GePbS4 _chemical_formula_sum 'Ag4 Ge2 Pb2 S...
false
Ba3BiSb
4.316539
Pm-3m
221
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.586 _cell_length_b 6.586 _cell_length_c 6.586 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3BiSb _chemical_formula_sum 'Ba3 Bi1 Sb1' _cel...
false
K3Nb7O19
3.912657
P-1
2
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.589 _cell_length_b 14.456 _cell_length_c 19.465 _cell_angle_alpha 80.155 _cell_angle_beta 88.002 _cell_angle_gamma 84.938 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Nb7O19 _chemical_formula_sum 'K12 Nb28 O76' ...
true
Li7Mn2(CoO4)3
4.06286
C2
5
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.616 _cell_length_b 6.616 _cell_length_c 5.020 _cell_angle_alpha 82.967 _cell_angle_beta 82.967 _cell_angle_gamma 83.902 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7Mn2(CoO4)3 _chemical_formula_sum 'Li7 Mn2 Co3...
false
MnCdTe2
5.203795
R3m
160
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.880 _cell_length_b 7.880 _cell_length_c 7.880 _cell_angle_alpha 33.790 _cell_angle_beta 33.790 _cell_angle_gamma 33.789 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCdTe2 _chemical_formula_sum 'Mn1 Cd1 Te2' _cel...
false
CaNiF4
3.763995
Cm
8
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.517 _cell_length_b 6.517 _cell_length_c 6.517 _cell_angle_alpha 131.010 _cell_angle_beta 131.010 _cell_angle_gamma 71.797 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNiF4 _chemical_formula_sum 'Ca2 Ni2 F8' _cel...
false
ReN
16.066507
Fm-3m
225
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.082 _cell_length_b 3.082 _cell_length_c 3.082 _cell_angle_alpha 60.000 _cell_angle_beta 60.000 _cell_angle_gamma 60.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReN _chemical_formula_sum 'Re1 N1' _cell_volume ...
false
V2FeO6
3.52175
C2/c
15
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.681 _cell_length_b 6.681 _cell_length_c 5.755 _cell_angle_alpha 74.955 _cell_angle_beta 105.059 _cell_angle_gamma 96.280 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2FeO6 _chemical_formula_sum 'V4 Fe2 O12' _cell...
false
BaMg14CdO16
3.99304
P4/mmm
123
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.800 _cell_length_b 8.800 _cell_length_c 4.543 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg14CdO16 _chemical_formula_sum 'Ba1 Mg14 Cd1 ...
false
P2SeO3
2.486761
P2_1/c
14
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.833 _cell_length_b 11.944 _cell_length_c 12.366 _cell_angle_alpha 89.664 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P2SeO3 _chemical_formula_sum 'P16 Se8 O24' _ce...
false
Na3La2Ta2SiP5O24
3.693621
P1
1
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.281 _cell_length_b 9.252 _cell_length_c 23.153 _cell_angle_alpha 90.002 _cell_angle_beta 90.096 _cell_angle_gamma 120.067 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3La2Ta2SiP5O24 _chemical_formula_sum 'Na9 La...
true
LaB4
5.392532
P4/mbm
127
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.188 _cell_length_b 7.320 _cell_length_c 7.320 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaB4 _chemical_formula_sum 'La4 B16' _cell_volum...
false
BeSiN2
3.242156
I-42d
122
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.053 _cell_length_b 4.053 _cell_length_c 4.969 _cell_angle_alpha 114.068 _cell_angle_beta 114.068 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSiN2 _chemical_formula_sum 'Be2 Si2 N4' _cel...
false
SbCNCl5
2.25284
P2_1/c
14
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.416 _cell_length_b 11.427 _cell_length_c 13.074 _cell_angle_alpha 88.768 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbCNCl5 _chemical_formula_sum 'Sb4 C4 N4 Cl20'...
false
LiMnP2O7
2.762042
P2_1/c
14
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.355 _cell_length_b 5.050 _cell_length_c 9.616 _cell_angle_alpha 60.991 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnP2O7 _chemical_formula_sum 'Li4 Mn4 P8 O28'...
false
CrPSe3
4.5496
C2/m
12
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.347 _cell_length_b 6.347 _cell_length_c 7.012 _cell_angle_alpha 81.340 _cell_angle_beta 81.340 _cell_angle_gamma 119.916 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrPSe3 _chemical_formula_sum 'Cr2 P2 Se6' _cell...
false
MnZn2IrO6
7.364594
P2_1/c
14
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.178 _cell_length_b 5.170 _cell_length_c 9.487 _cell_angle_alpha 57.307 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZn2IrO6 _chemical_formula_sum 'Mn2 Zn4 Ir2 O12...
false
MnVS2
4.316515
R-3m
166
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.682 _cell_length_b 3.682 _cell_length_c 5.962 _cell_angle_alpha 72.015 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnVS2 _chemical_formula_sum 'Mn1 V1 S2' _cell_v...
false
Mg14MnCoO16
3.759299
Pmmm
47
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.284 _cell_length_b 8.545 _cell_length_c 8.569 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14MnCoO16 _chemical_formula_sum 'Mg14 Mn1 Co1 ...
false
Li2HN
1.50324
Imma
74
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.124 _cell_length_b 7.124 _cell_length_c 7.124 _cell_angle_alpha 120.227 _cell_angle_beta 119.950 _cell_angle_gamma 89.847 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2HN _chemical_formula_sum 'Li16 H8 N8' _cell...
false
Li4Cu3Bi(PO4)4
4.235912
Pm
6
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.821 _cell_length_b 10.511 _cell_length_c 6.252 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 87.291 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Cu3Bi(PO4)4 _chemical_formula_sum 'Li4 Cu3 B...
false
KCr3S5
3.394359
P-1
2
[CIF] data_chemnlp _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.523 _cell_length_b 9.850 _cell_length_c 10.760 _cell_angle_alpha 72.403 _cell_angle_beta 80.578 _cell_angle_gamma 79.692 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCr3S5 _chemical_formula_sum 'K2 Cr6 S10' _cell...
false