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-1212911
-6.972358
-5.493181
4.417198
other
Dy10Ge4Sb4
18
64
472.42
mp-4208
8.259288
10.750506
1.152545
other
Ca4Ru2O8
14
64
179.57
mp-1245785
1.096463
2.092273
1.54544
other
Ca8Ru4N12
24
64
356.98
mp-1197099
-5.198907
-3.201749
5.873147
other
Tb6Si24Ru8
38
64
614.71
mp-1210181
7.443281
11.244687
-0.630859
other
Nd2Ni4O8
14
64
194.16
mp-1213386
8.382536
1.031474
1.973099
other
Cs4Lu12F40
56
64
891.35
mp-1189494
-6.710773
-4.744987
5.56607
other
Dy4Al6Ge8
18
64
352.48
mp-1212216
-7.113818
-5.50314
4.778732
other
Ho10Ge4Sb4
18
64
466.07
mp-755410
5.976605
13.011699
-1.420576
other
Li4Ni6O12
22
64
216.04
mp-780880
6.972553
10.130208
-0.865674
other
Rb8Co4O12
24
64
478.26
mp-14589
-5.79107
-2.554009
4.750363
other
Hf4Si8Ni6
18
64
238.35
mp-583645
-6.315673
-6.682472
2.987901
other
Ba8Ca8Sn24
40
64
1,336.2
mp-1100369
-3.439867
-1.513032
-5.638608
other
Ca4Sn8S20
32
64
868.77
mp-1029763
2.714887
2.334038
1.650574
other
Zn4Si4N8
16
64
181.16
mp-33498
1.40512
2.526264
-5.781448
other
Rb4Cr2Cl8
14
64
408.69
mp-1245610
2.276687
2.282436
1.427645
other
Si12Sb20N36
68
64
1,035.76
mp-753734
8.746557
13.887435
-1.582326
other
Mn4Cr2O12
18
64
214.1
mp-17667
-5.199524
-6.033014
0.680586
other
Sr12Al4Sb12
28
64
971.98
mp-770465
10.138384
8.64222
2.465946
other
Ba8Ce4O14
26
64
542.07
mp-1182255
8.922906
7.714272
-2.291298
other
Ca8Al12O32
52
64
715.6
mp-770741
11.917094
6.987987
-4.192981
other
Mg6As4O16
26
64
290.79
mp-1178384
6.64606
10.716062
0.393356
other
Eu4Ni2O8
14
64
177.67
mp-753794
14.702098
4.88514
-7.576687
other
Hf4P4O18
26
64
335.02
mp-774472
10.731005
7.916661
2.897485
other
Pr4S4O4
12
64
227.14
mp-30895
6.866663
11.74697
1.604529
other
Ba12Mn10O32
54
64
762.34
mp-1190379
9.015622
6.609207
-3.903109
other
Ca4Se4O16
24
64
332.58
mp-779001
9.775821
9.532255
3.990585
other
Sr8Hf6O20
34
64
482.85
mp-772150
12.832071
11.244295
1.874502
other
Li4Ti26O44
74
64
821.33
mp-1104198
2.344922
2.774728
-3.872979
other
Cu2N4Cl8
14
64
419.06
mp-1245536
1.098263
2.291062
2.149516
other
Cr20Si12N36
68
64
723.78
mp-36480
8.697904
9.604271
2.320006
other
La4Cu2O8
14
64
194.54
mp-1105661
-6.743225
-4.639606
5.606269
other
Tb4Al6Ge8
18
64
354.36
mp-1341099
-5.397561
-4.280855
0.432154
other
Pr4As8Au4
16
64
359.01
mp-15742
8.867826
9.516837
2.36814
original
Nd4Cu2O8
14
64
187.96
mp-1202825
-2.682655
-2.770116
-5.681743
other
Cs4Lu28S44
76
64
1,939.64
mp-1189097
-6.700994
-4.54952
5.581461
other
Pr4Al6Ge8
18
64
366.36
mp-1227905
2.247645
2.188837
1.286673
other
Ca18B12N24
54
64
784.12
mp-1199812
-8.937285
-0.905434
2.495743
other
Sm8Ni88C12
108
64
1,243.38
mp-1191010
2.260559
2.061854
1.627594
other
Eu8Si4N12
24
64
336.47
mp-556017
14.351341
5.119381
-6.702578
other
Th4P4O18
26
64
430.22
mp-504969
10.70801
8.076509
-4.092432
other
Ni6As4O16
26
64
271.37
mp-1207495
-1.289725
1.851417
-2.176071
other
Zr12Ge2I28
42
64
1,585.24
mp-5403
10.218657
9.375501
0.687541
other
Rb8Ti4O12
24
64
479.5
mp-1202284
-7.082504
-4.310204
4.911675
other
Dy8Ge24Pd4
36
64
725.21
mp-571312
2.234049
1.901842
2.070326
other
Ce20Si12N36
68
64
936.26
mp-21672
-6.005782
-1.26359
0.930687
other
Eu2Ni20P12
34
64
436.79
mp-559985
13.183802
6.41676
-6.483871
other
Ca4P16O44
64
64
1,026.45
mp-17696
1.169992
2.216577
1.577465
other
Ba8V4N12
24
64
450.3
mp-25285
7.447855
13.493271
-1.766621
other
Mn4Ni2O12
18
64
217.67
mp-1245722
0.422875
2.669985
1.800515
other
Cr4Co8N12
24
64
252.59
mp-567798
-0.813671
2.260547
-3.435189
other
Hg16As4I20
40
64
1,592.62
mp-772086
9.206527
9.118759
1.42255
other
Ba8Sn6O20
34
64
580.19
mp-769381
10.636903
10.899504
3.14026
other
Ca6Ta4O16
26
64
406.36
mp-558316
7.521961
10.870268
1.721613
other
La8Ni6O20
34
64
421.9
mp-1246899
2.370244
2.311432
1.364513
other
Ge12Bi20N36
68
64
1,125.72
mp-850970
6.318673
12.959446
-2.73037
other
Co8O12F4
24
64
240.24
mp-1193685
-4.034204
-1.53341
-5.327719
other
Rb12Fe4S12
28
64
870.87
mp-760967
13.011615
12.828272
-0.92896
other
Na4V26O44
74
64
841.06
mp-1245911
1.713515
1.886482
1.027729
other
Sr8Ca4N8
20
64
557.92
mp-4941
9.337117
9.154384
1.692874
other
Sr4Sn2O8
14
64
209.1
mp-1029915
1.887209
1.939958
1.361043
other
Ca8Sn4N8
20
64
350.89
mp-1101631
6.661192
6.17014
-3.531589
other
Ag2Cl2O4
8
64
141.03
mp-1211389
-8.366984
-6.976686
3.421996
other
La8Mg6Ag20
34
64
770.65
mp-18998
6.908894
11.990466
1.656327
other
Sr8Mn6O20
34
64
428.63
mp-560886
12.656218
6.633739
-0.877636
other
Sr4Si8O20
32
64
339.5
mp-1246350
1.339697
1.923315
1.562439
other
Sr8V4N8
20
64
394.88
mp-1208532
-6.670074
-4.871806
6.05111
other
Tb4Al10Ge4
18
64
358.37
mp-1178558
9.666393
10.78037
0.683834
other
Ba4Li16O12
32
64
367.82
mp-555704
8.543853
2.309776
-1.091524
other
Re8O16F24
48
64
751.04
mp-555658
10.341163
10.168593
-1.659473
other
Bi4Mo2O12
18
64
251.46
mp-1101349
8.609871
14.125317
-1.461506
other
Ti2Mn4O12
18
64
218.57
mp-29383
-5.206609
-5.933425
0.368018
other
K16Ga16Sb32
64
64
2,094.94
mp-28168
-0.159126
0.4826
-3.333148
other
Th12C2Br28
42
64
1,521.67
mp-1186786
-5.397619
-4.280715
0.432093
other
Pr8As16Au8
32
64
718.02
mp-542151
10.317565
11.8633
-3.362198
other
V4Ni6O16
26
64
273.98
mp-1194017
14.034586
5.59671
-6.551763
other
Th4P4O20
28
64
440.92
mp-19509
13.217522
12.176167
-0.399904
other
Sr2V20O30
52
64
592.68
mp-1245340
1.378183
1.835264
2.611851
other
Nb20Ge12N36
68
64
954.12
mp-1178512
-1.201467
1.944186
-1.662642
other
Ba2Sr4I12
18
64
820.03
mp-755124
6.816343
13.506119
-2.363463
other
Cr2Co4O12
18
64
207.79
mp-540833
10.467101
11.961382
-3.496189
other
V4Co6O16
26
64
282.25
mp-1246295
0.983884
2.224633
1.58482
other
Ba4Os4N8
16
64
325.14
mp-559923
-2.49791
-0.31254
-5.184776
other
Nb4P8S32
44
64
1,236.97
mp-669456
-6.728031
-4.565624
5.673973
other
La4Al6Ge8
18
64
373.88
mp-19458
13.23234
12.103074
-0.32615
other
Ba2V20O30
52
64
553.08
mp-29358
1.347045
1.791979
-4.313434
other
Zr12B2Cl28
42
64
1,063.49
mp-17951
8.480881
0.680519
1.272321
other
Cs8Zn6F20
34
64
619.83
mp-1246267
2.446537
2.335671
1.365804
other
Si12Bi20N36
68
64
1,036.56
mp-1208274
-5.219238
-3.259041
5.732769
other
Th6Si24Ru8
38
64
643.13
mp-1246679
1.956523
1.887089
1.251089
other
Sr8Sb4N12
24
64
434.59
mp-1207511
-1.22206
1.787943
-2.16944
other
Zr12Fe2I28
42
64
1,641.5
mp-643253
3.275624
-0.750292
-2.407506
other
Ba4H12Pt2
18
64
264.69
mp-19500
11.700535
12.524343
0.189057
other
Ba2Cr20O30
52
64
590.29
mp-1246017
0.878606
2.22476
1.696446
other
Ba4Ru4N8
16
64
290.54
mp-680680
8.086782
10.736809
1.182765
other
Sr8Ru6O20
34
64
437.24
mp-753787
7.426324
13.678725
-1.715221
other
Mn4Fe2O12
18
64
222.73
mp-1106039
-5.428412
-4.316751
0.40209
other
Sm4As8Au4
16
64
339.64
mp-568709
-8.247307
-2.473491
2.530547
other
Dy8Ni28Sn12
48
64
771.06
mp-567228
-4.205133
-2.630207
-3.448653
other
Na8P4Se12
24
64
629.33
mp-1189241
-5.389565
-4.223683
0.458289
other
Gd4As8Au4
16
64
335.75