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-1226408
-7.271198
-4.374682
2.536739
other
Cr3Ni1Sn8
12
21
246.2
mp-685385
-4.662667
-2.879409
-4.005723
other
Tl16In24Se40
80
21
2,364.09
mp-649492
10.204907
12.063373
-3.946027
other
V6Pb3O18
27
21
546.19
mp-674522
11.318182
8.723079
1.004645
other
K18U12O45
75
21
1,392.51
mp-1222512
10.414698
10.872035
3.110493
other
Li4Zr3O8
15
21
172.67
mp-1217229
-5.322461
-2.071584
4.48644
other
Ti1Si6Mo2
9
21
123.64
mp-1285565
8.451357
10.533867
-3.176429
other
Y4Cr4O16
24
21
315.7
mp-1019589
10.304032
9.516989
3.809844
other
Ce3Zr5O16
24
21
301.04
mp-1100965
11.621332
11.003323
-3.019278
other
U2Mo10O32
44
21
611.67
mp-1227416
-8.647032
-6.143903
2.394627
other
Ca2Zn3Au9
14
21
260.85
mp-1216741
-5.284355
-2.182789
-3.567221
other
Tl2Fe3Se4
9
21
211.13
mp-1223267
-8.270583
-6.980573
3.043288
other
La2Mg3Ag9
14
21
287.94
mp-1217990
-5.448292
-2.597376
4.341082
other
Ta2Cr1Si6
9
21
125.83
mp-1229033
10.078936
7.280295
-2.053862
other
Al1Si2O6
9
21
137.39
mp-1217079
-5.231143
-2.39312
4.523715
other
Ti2Si6Mo1
9
21
123.47
mp-861549
9.093143
14.893347
-0.477696
other
Mn11Zn1O16
28
21
312.7
mp-1226192
-4.390278
-1.434238
-5.237951
other
Cs2Mn3S4
9
21
251.69
mp-1228632
-6.241187
-0.991626
4.203658
other
Al3Cr20Si9
32
21
387.7
mp-1219444
-8.269177
-2.586193
5.553145
other
Sm8Ga21Ru11
40
21
717.96
mp-1215345
-6.271863
-3.556968
3.999384
other
Zr8Co3Cu1
12
21
225.66
mp-1278941
5.93462
11.118975
-1.876633
other
Ti2Fe2O8
12
21
139.18
mp-1227673
-9.356739
-5.934356
3.720359
other
Ca4Al1Zn43
48
21
783.71
mp-1019595
10.055368
9.270678
3.590396
other
Ce5Zr3O16
24
21
312.61
mp-753533
9.579978
1.487552
0.137684
other
Li3V1F8
12
21
163.33
mp-1217610
-5.387457
-3.274872
3.643519
other
U24Cr1Fe3
28
21
541.24
mp-1221935
-5.791795
-1.839703
4.646849
other
Mn1V2Si6
9
21
110.71
mp-1226062
-7.211865
-4.234397
2.527205
other
Cr5Ni1Sn12
18
21
360.48
mp-1217077
-5.296128
-2.230415
4.568453
other
Ti2Si6W1
9
21
123.36
mp-1216563
-5.891716
-1.848004
4.660116
other
V1Cr2Si6
9
21
109.94
mp-2234217
10.70626
7.749134
-6.814276
other
Fe3P3O12
18
21
298.61
mp-16107
3.553527
2.703567
0.686488
other
Rb12P24N44
80
213
1,159.59
mp-1211204
6.214138
5.161296
-4.541198
other
Pr8N48O108
164
213
2,605.38
mp-1190846
-5.653028
-0.354654
3.373083
other
Re8Mo12C4
24
213
335.47
mp-1181478
-6.362196
-0.300353
3.409375
other
Ni8Mo12N4
24
213
322.87
mp-1191953
-5.220022
-1.202051
3.247098
other
Nb12Al8N4
24
213
352.41
mp-16108
3.521423
2.683887
0.700776
other
Cs12P24N44
80
213
1,212.91
mp-27554
-3.95092
-1.430514
-5.420931
other
Ag24Au8S16
48
213
962.79
mp-16877
-5.469462
-0.188185
3.273813
other
Re8W12C4
24
213
336.75
mp-570666
-6.218843
-0.430421
3.371619
other
Mo12Pt8N4
24
213
322.59
mp-1212564
6.209968
5.099768
-4.49072
other
Sm8N48O108
164
213
2,418.39
mp-14565
3.564831
2.73205
0.663287
other
K12P24N44
80
213
1,122.59
mp-1213443
6.226362
5.113117
-4.490104
other
Nd8N48O108
164
213
2,414.43
mp-1195808
-4.040565
-1.334832
-5.748807
other
Ag16Sn12S32
60
213
1,297.7
mp-1191068
-1.222709
1.461527
2.555718
other
V12Zn8N4
24
213
284.64
mp-27192
8.889213
0.929733
1.424974
other
Cs4Be8F20
32
213
490.4
mp-505341
-6.102033
-0.278657
3.296214
other
Ni8W12N4
24
213
292.17
mp-1197269
6.174164
5.118739
-4.567321
other
Hg12N12O36
60
213
950.14
mp-1190604
-5.440084
-2.522895
3.563767
other
Nb12Al8C4
24
213
362.5
mp-1202185
5.947093
5.142907
-4.353357
other
Hg12N24O36
72
213
1,150.2
mp-1190661
-0.434865
1.808797
2.43264
other
V12Ga8N4
24
213
288.91
mp-542154
-5.925523
-0.199084
3.482353
other
Mo12Pd8N4
24
213
318.68
mp-1212750
6.185636
5.170717
-4.497908
other
La8N48O108
164
213
2,531.36
mp-4091
-6.438396
-0.093887
3.415562
other
Ni8Mo12N4
24
213
289.3
mp-1190760
-5.378827
-2.07956
3.577624
other
Ta12Al8C4
24
213
357.2
mp-530571
9.842467
9.521921
0.253925
other
Na16Sn12O32
60
213
818.43
mp-542316
-6.035874
-0.04261
3.218437
other
Co8Mo12N4
24
213
296.46
mp-18093
-5.909072
-0.636608
3.384252
other
Al8Mo12C4
24
213
321.93
mp-867992
6.518689
13.5819
-2.338306
other
Mn4Co12O32
48
212
520.52
mp-774361
10.500438
0.870542
1.704098
other
Li8Mn12F32
52
212
691.27
mp-770865
8.510071
14.249993
-1.623945
other
Mn12Sn4O32
48
212
602.72
mp-27843
11.665088
7.597796
-1.106832
other
Zn8Ge12O32
52
212
581.34
mp-774941
5.907208
13.042051
-1.518981
other
Li8Ni16O32
56
212
533.95
mp-773037
8.116151
14.031247
-1.69652
other
Mn12Bi4O32
48
212
638.14
mp-28146
11.820891
8.127164
-0.412994
other
Li4Ga20O32
56
212
555.8
mp-772794
6.500193
13.207952
-2.226345
other
Co12Bi4O32
48
212
564.57
mp-20234
-8.254222
-3.02273
2.321592
other
Li8B4Pt12
24
212
313.33
mp-770866
8.802612
14.96421
-0.8224
other
Li4Mn20O32
56
212
585.17
mp-1101666
8.52932
13.276264
-1.245288
other
Na4Fe20O32
56
212
640.93
mp-776400
5.88765
12.871097
-2.628563
other
Fe4Co12O32
48
212
512.27
mp-543103
9.005094
8.626405
-2.447285
other
Ni4Ge12O32
48
212
535.47
mp-780531
7.740947
14.08578
-1.188886
other
Na12Mn12O32
56
212
674.33
mp-773076
6.581451
13.98641
-2.016233
other
Li8Co16O32
56
212
522.85
mp-758012
7.712218
13.913226
-1.827179
other
Mn12Co4O32
48
212
560.09
mp-21735
8.668577
13.380463
-1.205419
other
Li4Fe20O32
56
212
611.96
mp-780142
7.199528
13.397771
-1.036311
other
Li20Ni16O32
68
212
588.95
mp-20657
-8.532193
-4.718637
2.37003
other
Li8B4Pd12
24
212
310.59
mp-530399
12.644027
7.46269
0.382153
other
Li4Al20O32
56
212
492.71
mp-759717
9.701982
0.44066
-0.007037
other
Li8Cu12F32
52
212
621.07
mp-759353
6.662217
13.618774
-2.076954
other
Li4Co20O32
56
212
534.16
mp-21784
8.711366
14.367198
-1.156366
other
Mn12Cu12O32
56
212
604.31
mp-1182706
-1.927354
-7.74948
2.470593
other
Nb12Al8N4
24
212
8,442.86
mp-772205
10.405464
13.184173
-3.317575
other
Li8V12O32
52
212
569.6
mp-1176363
9.975479
9.8805
-0.504509
other
Na8Sb12O32
52
212
805.14
mp-774833
13.032172
12.208232
-0.597115
other
Na4V20O32
56
212
646.84
mp-29104
10.70435
12.40341
2.050865
other
Ti12Zn8O32
52
212
590.08
mp-734336
6.225077
5.169469
-4.55603
other
Pr8N48O108
164
212
2,717.96
mp-770608
7.702963
14.800432
-1.09407
other
Li12Mn12O32
56
212
566.66
mp-774302
8.531102
14.209067
-1.467623
other
Ti4Mn12O32
48
212
566.74
mp-772951
8.628545
13.941868
-1.577317
other
Mn12Cr4O32
48
212
561.77
mp-775810
7.671705
13.646722
-1.751434
other
Mn12Ni4O32
48
212
539.74
mp-29996
-1.022223
0.807077
-1.337183
other
La12P4I12
28
214
988.55
mp-1209787
-0.209635
0.433082
-2.734271
other
Pr12Rh4Br12
28
214
879.97
mp-1209432
-0.326108
0.427079
-2.709776
other
Pr12As4Br12
28
214
875.29
mp-753714
-4.235594
-1.405457
-5.665735
other
Li12Cu4S8
24
214
387.64
mp-27272
-0.88382
1.755237
-1.859155
other
Ca12P4I12
28
214
949.43
mp-5710
-5.857635
-3.193927
-2.642093
other
Ag12Te8Au4
24
214
572.35
mp-1209395
-0.226723
0.492721
-2.873293
other
Pr12B4Br12
28
214
810.67
mp-1213898
-0.953452
0.955159
-1.674871
other
Ce12P4I12
28
214
961.28
mp-653855
-1.050607
1.010561
-1.352678
other
Pr12Pt4I12
28
214
1,007.99
mp-1211014
-1.006284
0.912475
-1.604135
other
La12Os4I12
28
214
1,012.88