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-1212646
6.657302
8.920938
-2.399016
other
Ga4O8
12
62
128.26
mp-1981
-5.351528
-6.958255
3.187546
other
Ba8Sn4
12
62
538.9
mp-1011696
-4.107896
-2.821346
-4.076013
other
Cs8Se4
12
62
541.18
mp-1105609
-8.210883
-6.297557
6.601652
other
Tb12Rh4
16
62
432.37
mp-1208406
1.130528
1.789061
2.611421
other
Ta8N12
20
62
199.99
mp-11428
-8.298401
-4.967419
4.520102
other
Gd4Pt4
8
62
181.01
mp-1208046
-7.200247
-6.124358
4.837612
other
Tm20Bi12
32
62
899.92
mp-980752
-7.846156
-6.773767
7.201908
other
Sm12Co4
16
62
432.4
mp-25288
9.791255
12.154233
-4.249417
other
V8O20
28
62
355.67
mp-28974
8.713548
1.700585
0.622486
other
Ti12F48
60
62
821.88
mp-1176437
10.849364
-0.182545
0.339795
other
Mn4F12
16
62
199.81
mp-1105836
-2.612933
-2.763677
-5.531665
other
Sc8S12
20
62
399.73
mp-389
-6.053051
-3.995506
4.315648
other
Si4Pd4
8
62
118.29
mp-600060
15.640384
5.632982
0.367526
other
Si48O96
144
62
2,768.78
mp-21410
-5.533563
-1.016702
-3.589716
other
Fe4S4
8
62
95.77
mp-1189094
-6.184467
-7.128948
3.563906
other
Eu12Au4
16
62
556.09
mp-1694
-6.502062
-6.433394
3.750692
other
Yb8Ge4
12
62
321.87
mp-541189
-2.806162
-1.428033
-3.857903
other
P32Se24
56
62
1,885.73
mp-1080443
-8.748767
-6.106853
5.011785
other
Y4Cu4
8
62
171.58
mp-567744
-0.160909
0.873183
-3.801136
other
Sr4Br8
12
62
422.91
mp-1184780
5.484313
2.105931
-3.253295
other
Ir4C12
16
62
154.16
mp-27309
9.716407
2.2988
-0.237213
other
V8F40
48
62
642.89
mp-1080485
-8.38121
-4.867519
4.427289
other
Nd4Pt4
8
62
192.65
mp-1080120
-5.562147
-1.86595
-2.95417
other
Fe4Se4
8
62
136
mp-569094
-2.808681
-1.432229
-3.855616
other
P64Se48
112
62
3,783.34
mp-12741
-8.370078
-4.461484
2.104687
other
Mg4Pd8
12
62
183.74
mp-1080709
-8.978987
-6.36327
3.708132
other
Nd4Au4
8
62
208.31
mp-1189835
-8.528215
-6.171395
6.156633
other
Er12Pt4
16
62
423.09
mp-16726
-3.615231
1.158675
2.858317
other
Li4B4
8
62
108.26
mp-1101799
-3.520671
-4.579513
0.701829
other
Rb8P4
12
62
490.52
mp-30103
8.37383
2.054435
-0.73194
other
Au8F40
48
62
654.33
mp-568865
-5.222509
-2.397673
-0.783442
other
Zr4Te4
8
62
198.63
mp-1044455
7.744364
10.461991
-3.7261
other
Cr12O28
40
62
627.68
mp-568846
-0.941443
1.017548
-3.782853
other
Ta8Br40
48
62
1,611.29
mp-31464
-7.209788
-6.212408
4.964102
other
Dy20Bi12
32
62
937.66
mp-1188155
-5.080599
-1.652217
1.643083
other
Re4P12
16
62
247.95
mp-1202228
-8.540365
-5.335732
5.353166
other
Dy20Pt16
36
62
820.01
mp-1197590
-7.898503
-4.886218
5.851907
other
Ho12Ga20
32
62
656.69
mp-27356
11.679337
7.846906
-3.569654
other
As8O16
24
62
330.78
mp-1190609
12.006576
13.510053
-2.28123
other
V8O16
24
62
264.17
mp-1080312
-4.13143
-3.964593
-3.32981
other
Ce4Se8
12
62
292.67
mp-27543
-2.874504
-0.935276
-4.852472
other
As16S12
28
62
813.6
mp-1189478
-8.751786
-6.190102
6.438729
other
Er12Ir4
16
62
410.15
mp-1203494
-7.440129
-6.26135
4.724957
other
Y20Sn16
36
62
1,023.77
mp-570901
-7.796999
-6.203912
3.342824
other
Yb8Au4
12
62
335.32
mp-30677
-7.859229
-4.930084
5.829613
other
Tm12Ga20
32
62
641.23
mp-1190011
-8.625476
-6.445566
7.006061
other
Ho12Os4
16
62
413.74
mp-13392
-8.627801
-6.042194
5.231524
other
Nd4Cu4
8
62
186.19
mp-2420
-5.654947
-0.94106
2.424298
other
P4W4
8
62
116.49
mp-667338
5.052645
3.229289
-3.465575
other
Pb12N72
84
62
1,281.31
mp-581760
-6.399411
-6.908195
4.05752
other
Yb8In4
12
62
379.88
mp-20717
-6.124074
-1.823402
1.411734
other
Cr4As4
8
62
127.58
mp-672261
-7.083838
-5.448306
5.454625
other
Ce12Ru4
16
62
414.79
mp-23199
1.134297
1.602384
-5.079142
other
Ba4Cl8
12
62
359.81
mp-1125
-3.9202
-1.416502
-5.586005
other
Li8S4
12
62
170.89
mp-1102243
-6.151145
-7.070325
3.857136
other
Eu8Cu4
12
62
373.15
mp-1204528
-6.679749
-5.632173
4.574121
other
Th20Sn16
36
62
1,112.61
mp-555585
8.345639
1.237667
1.675028
other
Ba4F8
12
62
217.07
mp-756041
7.560707
9.677662
-3.874786
other
Cr4O12
16
62
255.95
mp-1101851
-3.674602
-8.280441
7.097491
other
Mg8Si4
12
62
233.69
mp-12175
-8.58598
-5.391905
5.431028
other
Y20Pt16
36
62
831.28
mp-1025438
-8.341434
-4.632231
4.298858
other
Lu4Pt4
8
62
163.89
mp-726693
1.890854
2.726942
-4.339092
other
Tl4Cl12
16
62
1,069.8
mp-1105761
-5.678794
-7.507376
3.55736
other
Ca12Hg4
16
62
569.98
mp-28329
-1.164203
2.896647
-3.116861
other
Tl4I12
16
62
666.71
mp-15257
-4.121425
-4.293315
-3.650394
other
Tb8Se12
20
62
495.13
mp-2738
-8.177446
-5.31058
5.958601
other
Dy4Ni4
8
62
155.55
mp-22626
8.499338
2.217917
-0.747801
other
Os4F24
28
62
386.76
mp-9967
-5.124143
-4.390775
6.240978
other
Nd4Si4
8
62
193.45
mp-1102915
-6.690922
-9.756827
3.935547
other
Mg8Pb4
12
62
295.8
mp-208
-7.766243
-2.270745
3.719035
other
Ge4Ir4
8
62
125.37
mp-1188367
-9.149564
-6.296631
4.805389
other
Er4Zn12
16
62
280.81
mp-641539
2.702395
2.277531
1.701014
other
Si12N16
28
62
243.07
mp-172
-6.769041
-4.819572
5.581365
other
Nd20Ge16
36
62
970.4
mp-665747
-7.333374
-6.923617
3.500423
other
Eu4Ag4
8
62
232.04
mp-569152
1.412522
2.353084
-5.262685
other
Sn4Cl8
12
62
332.84
mp-621581
-5.914214
-1.457383
1.269169
other
P12Rh16
28
62
391.64
mp-17813
-8.841073
-6.108222
2.399577
other
Zr4Au16
20
62
361.98
mp-1103139
-5.973567
-7.530118
3.489215
other
Ca8Hg4
12
62
377.62
mp-755894
9.666753
11.790228
0.209177
other
Li8O4
12
62
90.4
mp-978
-5.734617
-7.028558
3.375592
other
Sr8Sn4
12
62
459.45
mp-1192077
6.193141
3.405588
-3.047014
other
Ba8C16
24
62
422.15
mp-1314
-4.031378
-5.270113
5.503193
other
Li96Si56
152
62
2,396.02
mp-642301
-7.139455
-6.459642
6.410339
other
Y28Te8
36
62
1,120.41
mp-1105844
-5.314941
-7.475794
3.349868
other
Sr12Hg4
16
62
705.65
mp-1188983
-9.129424
-6.357582
4.906249
other
Tb4Zn12
16
62
289.3
mp-1078589
-8.000621
-6.4141
2.95891
other
Eu4Au4
8
62
218.15
mp-19855
-5.631512
-0.115052
3.17387
other
Cr28C12
40
62
369.01
mp-28500
-5.623228
-3.344501
-1.146657
other
U4Te20
24
62
804.68
mp-1181724
6.49712
6.589508
-3.850787
other
Cl4O20
24
62
344.53
mp-1080201
0.422478
2.022456
2.174226
other
Re12N16
28
62
311.46
mp-557259
8.83326
2.435725
-0.28054
other
Mo4F24
28
62
391.45
mp-1523
-5.031421
-2.731105
2.105396
other
Zr4P8
12
62
202.2
mp-28601
-0.793466
1.075506
-3.812323
other
Nb8Br40
48
62
1,599.91
mp-16571
-5.743808
-6.261592
3.943812
other
Ca28Ge24
52
62
1,355.26
mp-1196361
-7.44852
-6.294466
4.632737
other
Pr20Sn16
36
62
1,154.01
mp-1105501
-8.380361
-6.49781
6.849293
other
Dy12Rh4
16
62
425.82
mp-22872
1.922285
2.605381
-4.874541
other
Sb4Cl12
16
62
494.28
mp-669720
-7.837435
-2.030609
2.353102
other
Ni12Sn8
20
62
297.39
mp-619501
-5.459745
-3.732539
0.356062
other
U8Te12
20
62
647.6