mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-1103697
-6.665092
-3.763727
-0.408903
other
Bi4Pd6Se4
14
12
312.29
mp-1227093
-4.743474
-1.517378
0.696879
other
Ce1Co16P48
65
12
914.5
mp-541183
-4.551054
-1.061422
-3.166134
other
Ta4Ni2Se14
20
12
458.28
mp-1211210
8.492788
1.212928
-0.333328
other
Sr3Rh1F12
16
12
246.29
mp-3407
-5.450106
-1.724287
-3.799232
other
Tl1Cr5Se8
14
12
303.99
mp-553121
11.247715
8.234386
2.328806
other
Sm4I2O4
10
12
220.06
mp-1025368
-4.182685
-0.011426
-4.401731
other
Ti2V1S4
7
12
120.87
mp-29770
-5.970348
-3.206887
-2.098061
other
Na3Mn4Te6
13
12
410.81
mp-1303299
6.45145
14.354297
-1.793734
other
Li6Co8O16
30
12
284.36
mp-4630
8.700428
12.707048
-0.240205
other
Li4Ru2O6
12
12
105.84
mp-766367
11.123223
10.178715
1.92839
other
Dy10Re4O24
38
12
497.45
mp-850556
10.68632
11.425482
3.214957
other
La3Nb8O24
35
12
511.55
mp-780883
12.47634
-0.953676
1.094704
other
Mn6O4F8
18
12
220.43
mp-1182685
3.348682
-0.798248
-2.486932
other
Ba3H12Ir2
17
12
281.79
mp-767763
8.107394
14.536911
-1.037567
other
Li14Mn16O40
70
12
703.89
mp-8253
9.21172
11.196445
-0.256966
other
Na5Re1O6
12
12
141.19
mp-1220651
-7.176492
-0.626603
4.411731
other
Nd2Mn17C2
21
12
265.61
mp-989459
4.970105
2.303155
-3.214413
other
B2C3N6
11
12
128.47
mp-1192759
3.031106
3.088542
-3.972533
other
Ir3N10Cl10
23
12
689.24
mp-1246692
1.203545
2.443701
1.827297
other
Mg8Mn3N8
19
12
230.11
mp-1222729
-2.141468
0.441175
2.376309
other
La1Tb1C4
6
12
93.03
mp-755013
10.020268
12.086481
1.022779
other
Li5Ta1O5
11
12
105.97
mp-567997
-7.6304
-3.531835
5.406297
other
Sm3Co2Ge4
9
12
175.38
mp-1174554
6.722358
19.649195
-0.340435
other
Li10Mn6O16
32
12
285.38
mp-1025363
-3.446655
0.461878
2.754229
other
Dy2Mo2C3
7
12
103.27
mp-1208210
8.430429
1.494554
0.497388
original
Tl3As1F6
10
12
338.42
mp-1025345
-5.896282
-2.343378
-1.33291
other
Ti2Cr1Te4
7
12
169.65
mp-1176373
9.896539
9.949235
-1.084067
other
Na4Sb8O22
34
12
548.74
mp-629690
-3.549149
-2.089401
-5.428104
other
Bi4Pb6S12
22
12
588.06
mp-767945
6.748822
13.672896
-1.823032
other
Mg7Co17O32
56
12
550.17
mp-1174401
4.207947
19.136202
-1.877915
other
Li7Co5O12
24
12
207.69
mp-1105634
7.316059
10.615091
-2.587281
other
Ni5As2O12
19
12
211.87
mp-1216779
-4.749068
-2.829461
-3.985063
other
Tl1In5Se8
14
12
403.13
mp-560584
11.180278
7.424574
-2.370516
other
Si6Ag18O21
45
12
672.04
mp-1173890
3.881408
19.069759
-1.849398
other
Li4Co2O6
12
12
105.34
mp-1078861
6.907543
6.164334
-3.53048
other
Mg1Br2O6
9
12
149.21
mp-1219753
-6.067818
-4.636613
1.218171
other
Pr2Nd2Sb8
12
12
360.07
mp-753618
11.381547
12.392929
0.036948
other
Mn9Fe1O10
20
12
229.76
mp-1209042
3.138175
2.683217
-4.376025
other
Si6C6Cl18
30
12
860.71
mp-1213990
-7.063112
-4.658211
5.165654
other
Ce11Ni4Ge6
21
12
493.06
mp-1236316
7.213653
8.306133
-2.362175
other
Li1Nd2O6
9
12
163.1
mp-30285
-6.152871
-2.895216
0.551148
other
Sb16Mo8S8
32
12
779.86
mp-1216557
-7.341952
-4.975065
6.291007
other
Tm2Al2Ga2
6
12
118.21
mp-1226420
-5.609407
-3.565342
1.075341
other
Eu3P4Pt4
11
12
262.46
mp-1227657
10.604791
9.905992
1.448972
other
Ca6Mn2O8
16
12
209.03
mp-1211034
10.779551
7.085598
-1.712287
other
Mg4Si8O22
34
12
646.37
mp-752670
-4.417612
-1.021056
-5.421853
other
Li6Fe2S6
14
12
247.53
mp-766123
9.766426
8.847677
3.127989
other
Ce8Th2O20
30
12
409.3
mp-1394001
11.474701
12.896787
-0.353162
other
Mg2Cr4O8
14
12
155.67
mp-1174373
6.953765
19.79921
-0.158679
other
Li8Mn6O14
28
12
261.22
mp-1105393
-5.93889
-6.095702
0.763432
other
Li7Eu4Bi6
17
12
443.68
mp-1226821
-6.074389
-5.87121
5.071587
other
Ca2Al2Ga2
6
12
129.88
mp-675600
7.606058
8.669204
-1.556517
other
Hf6Pb1O18
25
12
426.13
mp-1100494
7.038613
19.702461
-0.123447
other
Li9Mn7O16
32
12
298.82
mp-29048
9.554372
8.585896
-0.295797
other
Sr2Bi4O8
14
12
262.47
mp-1209658
-0.547918
0.674164
-2.36384
other
Pr10C12Br6
28
12
618.6
mp-28778
8.420414
1.104527
1.845845
other
K4Sc4F16
24
12
401.39
mp-582828
-1.414836
0.106357
-2.2517
other
La6Ge6Cl4
16
12
419.18
mp-20938
-3.94488
-1.397782
-5.721219
other
Rb1In5S8
14
12
338.19
mp-753288
9.597774
1.478796
0.15144
other
Li3V1F8
12
12
158.16
mp-1246944
4.933254
2.249016
-3.353079
other
Co2C3N6
11
12
116.45
mp-1103520
-3.384646
-1.448652
-5.456562
other
Cs4Si2S6
12
12
405.35
mp-1219382
-8.163605
-3.208848
5.221554
other
Sm2Ga18Co6
26
12
435.19
mp-1029349
-3.15956
-3.772432
-4.429688
other
Y4Se3N2
9
12
206.53
mp-1246080
0.606756
2.417145
1.944704
other
Sr3Mn6N6
15
12
194.08
mp-9149
-5.537798
-3.349976
0.585939
other
Er3P4Pd7
14
12
229.23
mp-1104456
-4.926795
-5.017812
0.321339
other
Eu4Zn4As6
14
12
329.97
mp-753620
6.471916
13.61284
-2.308372
other
Mn1Co3O8
12
12
138.46
mp-1402016
12.668421
10.17774
0.40529
other
Ca2W3O8
13
12
161.34
mp-1210652
3.524096
-0.380717
-2.510257
other
Mg1H6Br2
9
12
138.64
mp-1212136
8.287123
1.453775
-0.455768
other
K3Au1F12
16
12
304.19
mp-1174519
6.752946
19.632669
-0.339746
other
Li5Mn3O8
16
12
142.01
mp-19081
12.024415
11.099626
-3.114034
other
Mn4Mo4O16
24
12
337.93
mp-1025369
-3.393396
0.491554
2.761708
other
Tm2Mo2C3
7
12
99.94
mp-1204077
-6.013174
-3.769246
-1.86953
other
Cs4Bi16Te24
44
12
1,675.18
mp-1220676
-4.467062
-0.953608
-3.101588
other
Nb3Ir1Se8
12
12
277.05
mp-1224516
-6.051396
-2.443397
-0.982078
other
Ge6Te6Ir4
16
12
378.8
mp-1078058
-5.365116
0.013402
-5.495718
other
Ti1Cr2S4
7
12
123
mp-1214504
-7.449625
0.351685
5.133366
other
Ce3Ti6Fe23
32
12
447.38
mp-643367
-0.562282
0.689529
-2.504199
other
Y2C2Br2
6
12
132.57
mp-1281785
6.248612
13.373083
-1.365431
other
Li4Ni4O8
16
12
138.04
mp-769466
11.773252
7.276385
0.162702
other
Y2Ge2O7
11
12
155.22
mp-1104829
-4.574983
-1.231056
-2.76951
other
Nb5Sn1Se8
14
12
296.31
mp-1174390
4.089053
19.650131
-1.828955
other
Li8Co6O14
28
12
248.99
mp-546035
8.033679
10.633795
-3.610269
other
Cr3Cu1O8
12
12
153.6
mp-1225238
-7.730719
1.050057
4.959699
other
Er2Fe17C1
20
12
259.92
mp-582245
-7.244021
-3.363539
5.870766
other
Ce4Al23Ni6
33
12
553.8
mp-1206581
-7.588041
-4.034282
5.347317
other
Sm4Ge4Rh2
10
12
216.93
mp-887724
5.626122
11.923358
-1.813771
other
Li8Fe4O12
24
12
202.76
mp-1206069
-8.040822
-5.406292
3.307823
other
Lu3Cu4Sn4
11
12
221.13
mp-755484
6.323537
13.482387
-2.126924
other
Co4Ni1O8
13
12
132.94
mp-1192861
-4.087683
-3.615633
-2.715779
other
U8Ni1Se17
26
12
662.63
mp-1103869
-6.456404
-2.774189
-1.74177
other
K1Cr5Te8
14
12
384.38
mp-1199723
-8.260678
-5.373783
3.415315
other
Ce4In21Pd10
35
12
758.89
mp-1219310
-8.207928
-3.85129
4.663431
other
Sc2Ga2Ni2
6
12
94.52
mp-1291102
8.861119
12.778939
-0.823043
other
Zn4Co4O8
16
12
158.84
mp-1216926
-8.154408
-4.648103
4.697988
other
Tm6Ga17Pt5
28
12
509.83
mp-754198
-1.184087
1.789921
-1.708375
other
Ba1La2I8
11
12
454.31
mp-1229158
-5.856485
-2.998775
-1.9926
other
Ag1Te10Au4
15
12
406.76
mp-540569
-5.482789
-0.096957
-5.670063
other
Cs1Cr5S8
14
12
271.49