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-1212783
-2.748492
-2.592633
-5.569076
other
Gd12Ti4S24
40
58
838.07
mp-22523
11.70245
10.024536
0.591317
other
U4Co6O16
26
58
329.55
mp-1208516
-2.676538
-2.737077
-5.824728
other
Tb12Cr4S24
40
58
804.79
mp-1096872
5.027132
2.32066
-3.232655
other
B4C6N12
22
58
228.81
mp-1211723
-4.484194
-3.657063
0.640746
other
La6Cu24P12
42
58
634.71
mp-1246514
-2.495123
-3.25827
-5.282362
other
Y8S6N4
18
58
371.28
mp-752481
14.961993
12.528851
-0.88597
other
V6O8F4
18
58
188.83
mp-1225651
-4.236911
-1.235841
-5.57583
other
Dy8Cr8S24
40
58
779.17
mp-642894
-8.370058
-0.777454
4.658105
other
U8Co40Sn8
56
58
788.49
mp-1247490
1.517114
2.438839
1.988481
other
Mn18Si12N36
66
58
708.48
mp-18420
-2.726747
-2.75739
-5.780863
other
Er12Cr4S24
40
58
779.6
mp-1210159
-4.454228
-3.545356
0.584806
other
Pr6Cu24P12
42
58
623.43
mp-581026
4.724661
2.223831
-3.136303
other
Mn2C8N12
22
58
350.54
mp-504815
-5.59924
-2.225753
1.028449
other
Re10Ni4As24
38
58
646.97
mp-690536
5.791907
11.098232
-0.043247
other
Sr8Fe8O22
38
58
489.61
mp-1191694
-5.813808
-6.233335
3.746262
other
Sr8Li4Ge12
24
58
617.61
mp-1192809
5.828918
5.237934
-4.235464
other
Ag4N12O12
28
58
499
mp-21941
-6.073466
-0.401623
2.148725
other
Th6Fe24P12
42
58
568.62
mp-776657
10.308845
1.846861
2.223111
other
Li4Fe6F16
26
58
326.1
mp-1094046
13.709811
9.215711
-0.518952
other
Ti2H4O4
10
58
85.48
mp-1181282
6.951395
6.32246
-3.748166
other
Nd12I16O90
118
58
2,171.07
mp-21584
-5.065362
-1.981216
2.658178
other
Ta22Co4Se16
42
58
823.41
mp-754218
10.770795
7.777967
2.850626
other
Tb4Se2O4
10
58
182.95
mp-34844
-6.132317
-2.872715
-1.583965
other
Mn4Sb2Te2
8
58
185.14
mp-773454
7.706387
12.547857
-0.723216
other
Li20Co4O16
40
58
378.24
mp-1203235
10.177234
7.817872
-6.222417
other
Cu8P4O20
32
58
381.46
mp-1190254
-5.634356
0.178588
3.302101
other
B8Mo8Ru4
20
58
224.53
mp-505228
10.901037
10.712532
3.147619
other
Sr10Nb10O34
54
58
756.22
mp-1079629
-2.952931
1.277474
2.676926
other
Mg2B4C4
10
58
91.61
mp-1202947
-5.623391
-2.17427
1.088015
other
Fe4Re10As24
38
58
635.01
mp-18500
-5.827138
-6.491761
1.91792
other
K6Sn8Au2
16
59
582.79
mp-29898
-4.029915
-1.79889
-5.351139
other
Tl4Au8S6
18
59
442.98
mp-1189631
-8.116399
-5.075903
4.094049
other
Ce2In12Ni6
20
59
403.45
mp-1101677
10.926967
12.592668
-3.557004
other
Na2V4O10
16
59
274.66
mp-568346
1.891727
1.89358
2.477046
other
Hf2Br2N2
6
59
130.04
mp-1330582
-4.066714
-0.473934
-4.778437
other
Ti4Zn2S10
16
59
345.06
mp-1402767
7.092104
10.9927
-1.718035
other
Zn2Ni4O10
16
59
229.49
mp-1041779
7.130689
11.19965
-0.979982
other
Zn4Cu8O16
28
59
296.2
mp-776970
-3.681902
-1.332795
-5.467057
other
Li10Sb2S8
20
59
404.89
mp-27454
-3.955133
-5.701725
5.186458
other
Ba2Li4Si2
8
59
197.91
mp-1246733
1.673301
1.923087
1.093606
other
Ca10Ni2N8
20
59
392.37
mp-1048312
-5.376867
-0.213896
-5.769094
other
Zn2Cr4S10
16
59
328.7
mp-28994
-4.716279
-5.506687
0.519628
other
K2Li4As2
8
59
185.6
mp-1245969
1.661107
1.86136
1.186903
other
Ca4Pb2N4
10
59
180.47
mp-540583
11.206211
12.795958
0.118536
other
Sr4Cr8O16
28
59
354.22
mp-1202897
8.110507
2.204959
-0.858974
other
Sn6N6F22
34
59
617.25
mp-606777
-8.44536
-6.311843
2.551403
other
Eu2In6Au6
14
59
324.63
mp-1245606
0.141268
2.37244
2.050213
other
Mn2Co4N4
10
59
92.1
mp-570936
-8.143266
-6.013629
2.418888
other
K2Sn6Au6
14
59
342.26
mp-779593
9.406497
8.776524
0.479997
other
Na10La2O8
20
59
351.55
mp-1367059
8.783398
14.79358
-0.717868
other
Mn8Zn4O16
28
59
324.84
mp-1245394
0.371429
2.512503
1.868239
other
Mn10Ni2N8
20
59
210.44
mp-760061
8.341247
14.452418
-1.557925
other
Na2Mn16O32
50
59
588.71
mp-1404875
10.813237
12.191934
2.143642
other
Ti4Zn2O10
16
59
198.29
mp-1041793
7.116464
10.796587
-0.57543
other
Ca4Cu8O16
28
59
333.96
mp-778314
9.844936
2.423434
1.54821
other
Li8V8F32
48
59
686.96
mp-1238841
-5.622514
-0.222814
-5.69131
other
Cr8Cu4S16
28
59
483.85
mp-1246257
0.405754
2.447857
2.04367
other
Mg2Mn10N8
20
59
204.73
mp-1247519
0.224777
2.640513
1.94698
other
Zn2Fe10N8
20
59
204.07
mp-1198142
10.512836
11.828382
3.274001
other
Na24Nb24O72
120
59
1,499.28
mp-22703
-7.981127
-0.518027
2.314578
other
Ni16Ge4B6
26
59
255.88
mp-1239173
-5.516665
-0.118028
-5.770577
other
Cr8Ag4S16
28
59
535.21
mp-752469
12.511159
-0.403412
0.228146
other
Mn2O2F2
6
59
83.88
mp-1048137
8.987828
11.802496
-2.554791
other
Mg2Cr4O10
16
59
192.26
mp-1323643
-5.104797
-0.573836
-4.508615
other
Zn2Co4S10
16
59
293.16
mp-3255
7.411583
9.803174
0.763807
other
Sr2Cu4O6
12
59
158.67
mp-541137
11.124431
12.598264
0.146951
other
Ba4Cr8O16
28
59
382.52
mp-36240
8.343655
14.450648
-1.563578
other
Li2Mn16O32
50
59
574.57
mp-1368283
-3.849149
-0.60542
-4.957593
other
Ca2Ti4S10
16
59
376.19
mp-8840
9.413453
8.921758
0.211235
other
Na10In2O8
20
59
302.63
mp-1100363
-3.472423
-1.511379
-5.706419
other
Ca2Sn6S14
22
59
597.54
mp-21036
8.458888
15.403365
-0.203943
original
Na2Mn2O4
8
59
86.11
mp-1176654
10.741314
-0.124075
0.294716
other
Li2Mn2F8
12
59
136.5
mp-1384826
6.299131
12.315681
-1.932339
other
Mg2Co4O10
16
59
178.25
mp-1246412
1.940688
2.248296
1.582826
other
Mg10Fe2N8
20
59
249.24
mp-1271060
8.097548
13.126493
-0.817037
other
Ca4Fe8O16
28
59
339.56
mp-4693
9.008255
0.636079
1.393551
other
Rb4Al4F16
24
59
325.37
mp-1191828
-6.885362
-3.216075
4.736578
other
Zr6Cr4Ga12
22
59
368.05
mp-1246644
2.005019
2.359902
1.320345
other
In4Ni2N4
10
59
133.9
mp-1246672
0.509319
2.720514
1.740723
other
Fe2Ni10N8
20
59
202.76
mp-27842
11.747946
12.738323
-0.383879
other
Cr2Br2O2
6
59
117.42
mp-1247267
-0.122249
2.315359
2.097945
other
Fe10Co2N8
20
59
181.95
mp-1042087
12.835762
10.093591
0.378889
other
Mg4W8O16
28
59
379.76
mp-1246051
2.183071
2.223302
1.430022
other
Mg10Cd2N8
20
59
270.11
mp-1407574
5.748406
11.606858
-1.962691
other
Zn2Fe4O10
16
59
196.99
mp-1003322
11.04219
10.979299
0.602292
other
Ca4Mn4O8
16
59
197.11
mp-1045279
12.862162
10.625205
-0.425898
other
Ca2Mo4O10
16
59
245.3
mp-1203453
-5.906051
-0.608504
1.425625
other
Tb6Co18P12
36
59
467.5
mp-1101673
9.997597
13.766442
-0.898323
other
Na4Cr8O16
28
59
345.06
mp-1341371
6.784715
13.440726
-1.516248
other
Ca4Co8O16
28
59
336.13
mp-1388425
12.251588
12.475936
-2.244187
other
V4Zn2O10
16
59
198.36
mp-1394549
12.709368
10.354699
0.145061
other
Ca2W4O10
16
59
247.34
mp-1203265
-5.920361
-0.538952
1.383299
other
Y6Co18P12
36
59
465.97
mp-571020
3.303962
-0.672291
-2.588337
other
Cs6Mg6H18
30
59
519.17
mp-683906
-8.560936
-5.337496
3.210428
other
Yb10Cu22Sn16
48
59
938.01
mp-1273193
5.960791
10.949346
0.228676
other
Sr8Co4O16
28
59
379.5
mp-1042131
12.912264
10.601099
0.020239
other
Mg4Mo8O16
28
59
370.82
mp-618999
-0.970418
1.001425
-1.473915
other
Pr8Ni2I10
20
59
742.42
mp-1246461
0.252709
2.47855
1.927867
other
Fe2Co10N8
20
59
182.28
mp-1329064
-4.654722
0.123983
-4.973144
other
V4Zn2S10
16
59
339.8