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-1208724
13.221141
5.614732
-6.121827
other
Sr10P6O28
44
176
621.8
mp-1245444
1.504463
1.819294
1.518188
other
Sr6Nb2N6
14
176
302.77
mp-1198615
-6.952402
-1.052074
4.090151
other
Zr6Co30Si18
54
176
667.41
mp-770426
6.464559
5.88712
-3.578515
other
Ho2Cl6O24
32
176
424.93
mp-625397
11.143519
4.226627
-3.322307
other
Nd2H6O6
14
176
133.18
mp-1197276
7.004206
8.481255
-1.689309
other
La14I6O36
56
176
990.47
mp-567777
-5.918609
-4.717375
1.25299
other
La18Sb32Br6
56
176
1,740.47
mp-28057
-3.626776
-2.051234
-5.322489
other
Ba12Bi24S48
84
176
2,398.9
mp-3411
-7.002859
1.409353
-4.262364
other
Tl2Mo6Se6
14
176
326.27
mp-1204087
-6.676641
-10.342013
4.056707
other
K6Mg36Sn22
64
176
1,712.93
mp-1208211
-6.993714
-1.053248
4.421535
other
Tm6Co30Si18
54
176
686.97
mp-1197827
-3.686394
-1.992976
-5.294627
other
Sr12Bi24S48
84
176
2,267.68
mp-1215064
6.930705
6.056485
-3.892663
other
Ca6Al12O72
90
176
1,600.43
mp-1029750
1.429219
1.836576
1.536371
other
Sr6Ru2N6
14
176
277.64
mp-1246177
1.452696
1.879325
1.245864
other
Ba6Ni2N6
14
176
317.05
mp-1029573
1.695646
1.753186
1.44054
other
Ba6Ga2N6
14
176
327.44
mp-15308
-7.519237
-2.458742
4.338675
other
Tm6Si18Rh30
54
176
817.19
mp-1103846
-6.905561
1.300162
-4.23051
other
Na2Mo6Se6
14
176
308.68
mp-1210696
10.210218
10.405446
-3.838977
other
Mo6N2O18
26
176
392.97
mp-1208575
6.456903
5.867852
-3.596784
other
Tb2Cl6O24
32
176
427.64
mp-755902
11.312901
4.105682
-3.500348
other
Lu2H6O6
14
176
116.25
mp-1247074
1.535396
1.826501
1.278839
other
Ba6Ta2N6
14
176
355.22
mp-1209712
11.639065
7.803467
0.605444
other
Pr10Ge6O26
42
176
609.63
mp-1210531
6.916487
6.626039
-3.715172
other
Pr14Br6O36
56
176
960.19
mp-29888
6.480947
5.884409
-3.580487
other
Er2Cl6O24
32
176
404.4
mp-625472
11.42498
4.178614
-3.457824
other
Tm2H6O6
14
176
118.73
mp-10114
-8.868972
-0.659111
4.296093
other
Sc2B8Ir6
16
176
173.08
mp-1245436
1.659844
1.821538
1.251989
other
Sr6Sb2N6
14
176
295.34
mp-1246848
1.599231
1.766076
1.327265
other
Sr6Cu2N6
14
176
267.67
mp-1211117
6.576951
13.870332
-1.644096
other
Na22Co26O52
100
176
1,100.97
mp-1105028
-6.845235
1.362357
-4.181762
other
Ag2Mo6Se6
14
176
278.53
mp-1245435
1.685079
1.801005
1.403049
other
Sr6Zr2N6
14
176
315.75
mp-1245933
1.817552
1.952354
1.331843
other
Ba6C2N6
14
176
330.73
mp-1245417
1.664016
1.741346
1.327568
other
Sr6In2N6
14
176
292.42
mp-1214250
5.545657
3.012153
-3.92496
other
C12N12O6
30
176
475.52
mp-1245926
1.525858
1.860127
1.240411
other
Ba6Nb2N6
14
176
355.44
mp-7191
1.761225
1.750535
1.466654
other
Sr6Ga2N6
14
176
269.62
mp-1211451
11.742284
7.669003
0.695806
other
La10Si6O26
42
176
609.7
mp-24075
11.353507
4.098103
-3.374661
other
Ho2H6O6
14
176
122.04
mp-1210026
11.615136
7.866694
0.810294
other
Nd10Ge6O26
42
176
611.82
mp-1246203
1.553773
1.822991
1.304981
other
Ca6Ni2N6
14
176
221.15
mp-1246707
1.708539
1.835646
1.424725
other
Ca6Ti2N6
14
176
243.44
mp-759142
8.071895
4.436177
-7.005513
other
Mn4C6O18
28
176
358.06
mp-21780
-7.404653
-2.421117
4.380733
other
Sm6Si18Rh30
54
176
834.2
mp-1195767
12.62169
5.572258
-6.388993
other
Ca10P6O26
42
176
545.12
mp-1212669
11.459934
6.206978
-1.937277
other
Gd10B6O26
42
176
486.58
mp-1224361
-6.096861
1.401841
-4.72694
other
K2Mo18S18
38
176
903.43
mp-1245993
1.375718
1.817172
1.538122
other
Sr6Rh2N6
14
176
271.73
mp-4584
11.944615
6.905528
-2.630488
other
Tl6B2O6
14
176
280.79
mp-9324
1.402959
1.809258
1.330573
other
Ba6Mn2N6
14
176
322.43
mp-1104663
-7.136387
1.46965
-4.312928
other
Cs2Mo6Se6
14
176
370.75
mp-779435
11.745933
7.911331
0.102738
other
Ga6N2O6
14
176
188.3
mp-1213253
-7.125869
-1.047133
4.430022
other
Dy6Co30Si18
54
176
675.16
mp-1211078
-8.163262
-2.700628
3.945982
other
Tb12Ge36Rh60
108
176
1,765.18
mp-5599
-5.68947
-2.666522
5.072471
other
U20Re20Si36
76
176
1,292.91
mp-1079781
-5.660864
-6.018419
4.695681
other
Li2Ca2Al6
10
176
218.33
mp-1208438
10.927794
11.24261
-2.578509
other
V6Pb10O24
40
176
692.54
mp-1246164
1.418122
1.88567
1.299947
other
Ba6Co2N6
14
176
320.62
mp-1193166
9.98039
10.034349
3.32682
other
Ba8Nb4O18
30
176
543.48
mp-12906
1.413462
1.849186
1.517826
other
Sr6Cr2N6
14
176
274.59
mp-1237898
-5.462625
-2.224286
-1.37893
other
Nb6Ag2Te8
16
176
391.98
mp-1211968
-8.170405
-2.708471
3.910109
other
Sm12Ge36Rh60
108
176
1,777.24
mp-8117
-6.143583
1.480317
-4.7488
other
Rb2Mo6S6
14
176
316.88
mp-1226696
-6.120174
1.440472
-4.754907
other
Cs2Mo18S18
38
176
1,010.72
mp-583278
-7.013929
1.436558
-4.266398
other
Cs6Mo30Se34
70
176
1,773.12
mp-1245723
1.807888
2.424965
0.893411
other
Cr2Pb6N6
14
176
304.85
mp-772176
10.870032
11.791313
2.628428
other
Li6Nb14O38
58
176
708.6
mp-1245965
1.48044
1.865147
1.268251
other
Ba6Re2N6
14
176
339.57
mp-22061
-8.676869
1.552739
-3.161211
other
In2Te6Mo6
14
176
366.79
mp-8116
-6.15619
1.499012
-4.740067
other
K2Mo6S6
14
176
300.61
mp-1247259
1.339063
1.879035
1.528256
other
Ca6Rh2N6
14
176
228.89
mp-1212818
13.611596
6.188123
-5.346224
other
Eu10P6O26
42
176
599.77
mp-1182052
13.721319
5.972945
-5.727907
other
Ca10P6O24
40
176
543.84
mp-1246613
1.517154
2.531348
1.220623
other
Mo2Pb6N6
14
176
336.54
mp-1245402
0.45899
2.715564
1.813856
other
Cr2Ni6N6
14
176
139.06
mp-1198525
7.871201
7.182428
-4.22092
other
Nd2Se6O24
32
176
515.1
mp-1210868
6.955656
6.597074
-3.56013
other
Nd14Br6O36
56
176
940.04
mp-755561
10.308783
8.327254
-7.226104
other
Mn4P8O28
40
176
486.81
mp-1208437
12.186858
7.474755
0.474865
other
Tb10Si6O26
42
176
535.83
mp-1246578
1.584941
1.824796
1.312109
other
Sr6Ni2N6
14
176
265.21
mp-1214252
-6.93662
-5.333045
5.330543
other
Ce12Si2Ni8
22
176
470.41
mp-769028
13.233626
7.170692
-0.975594
other
Si6Sb4O18
28
176
381.44
mp-1246640
1.573327
1.843651
1.195763
other
Ba6Zr2N6
14
176
367.07
mp-9325
1.480556
1.909164
1.393999
other
Sr6Mn2N6
14
176
268.08
mp-541830
-6.974744
-1.23372
4.48709
other
U6Co30Si18
54
176
687.23
mp-15442
-6.240349
-3.781421
3.853493
other
Sm6Si18Pt30
54
176
894.81
mp-756888
12.562678
6.474455
-0.085247
other
La4Si6O18
28
176
415.84
mp-24121
11.387487
4.141428
-3.479839
other
Tb2H6O6
14
176
120.79
mp-17708
11.977022
7.816441
-1.306555
other
Ge6Sb4O18
28
176
421.49
mp-1029741
1.411138
1.859634
1.513894
other
Sr6Ir2N6
14
176
272.56
mp-643081
6.005853
3.483366
-4.742822
other
Fe4C18O18
40
176
580.87
mp-1246088
1.573933
1.862439
1.188897
other
Ba6Ti2N6
14
176
408.65
mp-581635
-8.867764
1.642532
-3.390116
other
Cs6Te34Mo30
70
176
2,057.44
mp-20152
-6.915226
1.309734
-4.19734
original
In2Mo6Se6
14
176
331.39
mp-625447
11.150914
4.19662
-3.41362
other
Pr2H6O6
14
176
136.31
mp-28539
-6.969325
1.382376
-4.207697
other
Rb6Mo30Se34
70
176
1,732.04
mp-1198026
-5.853692
1.458825
-4.783367
other
Li10Mo30S38
78
176
1,471.48
mp-29887
6.476521
5.885539
-3.587789
other
Pr2Cl6O24
32
176
440.14
mp-8380
12.819939
6.361264
-0.886197
other
K4Si8O18
30
176
358.78
mp-28826
-2.556185
0.614837
2.44989
other
Gd6Mn4C12
22
176
289.25