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-716052
9.79458
13.098861
-0.808712
other
Fe12O16
28
53
312.64
mp-667373
15.561658
5.669037
0.345485
other
Si56O112
168
53
3,150.49
mp-1023900
-3.204303
-1.978056
-6.060402
other
Si4S4
8
53
635.35
mp-757234
10.195885
2.527257
0.358657
other
V2F8
10
53
126
mp-17524
-4.770471
-4.584702
0.02854
other
Ge8As16
24
55
604.62
mp-1399685
9.593417
9.85456
-1.978026
other
Sb4O10
14
55
222.32
mp-764949
10.646115
0.064456
0.254646
other
Mn2F6
8
55
117.05
mp-1104282
6.591382
11.146749
-1.984666
other
Mn4O10
14
55
189.94
mp-752887
10.155423
2.622051
0.245112
other
V2F8
10
55
126.07
mp-672287
-4.238235
-5.403424
5.149817
other
Li26Si8
34
55
523.61
mp-30857
-8.557384
-4.014793
2.713798
other
Zn24Pt14
38
55
558
mp-28823
-3.442978
-4.928349
1.212743
other
Ba32P24
56
55
1,940.71
mp-978553
-4.702087
-5.086155
0.264297
other
Si8As16
24
55
592.96
mp-505535
-7.5632
-0.692945
4.44503
other
B16Ru22
38
55
401.78
mp-29424
-4.692218
-5.567577
0.748561
other
Sr32As24
56
55
1,731.84
mp-759343
9.812464
0.952673
-0.380858
other
Mn2F8
10
55
118.23
mp-17413
-7.877794
-2.375942
3.765656
other
Ti6Rh10
16
55
230.56
mp-15237
-2.260729
0.403728
2.451984
other
Tb8C10
18
55
292.1
mp-30499
-6.831165
-6.060131
5.463447
other
Th12Cd14
26
55
693.03
mp-567539
-6.243579
-6.035427
3.765818
other
Mg8Ga16
24
55
443.07
mp-8360
-5.965736
-3.609106
-1.782877
other
Rb4Te4
8
55
322.44
mp-1402326
7.597143
10.266209
-3.821502
other
Cr4O10
14
55
188.52
mp-647814
11.54143
8.923099
1.748965
other
U16O40
56
55
896.59
mp-30334
-6.80897
-4.416392
6.162786
other
Th4Al14
18
55
371.16
mp-1212812
-2.318395
0.38502
2.463333
other
Dy8C10
18
55
286.24
mp-1208489
-5.857665
-3.076795
3.8578
other
Ti20Cu8
28
55
451.87
mp-1194531
-4.415072
1.500867
3.036581
other
Fe16B56
72
55
517.1
mp-9459
-2.282875
0.468616
2.558869
other
Y8C10
18
55
289.26
mp-16523
-8.332708
-4.401897
2.250466
other
Al6Pd10
16
55
228.77
mp-680646
-7.696733
-2.342716
2.311301
other
Ni16Sn16
32
55
539.66
mp-560362
12.010341
11.225074
-1.873238
other
W32O84
116
55
1,558.97
mp-1410508
9.855251
12.153469
-4.281211
other
V4O10
14
55
203.8
mp-636813
6.316907
8.614939
-0.988433
other
Pb6O8
14
55
237.15
mp-27930
-4.288644
-5.411633
5.113326
other
Li28Si8
36
55
530.19
mp-1385941
6.170094
8.966472
-1.890683
other
Bi4O10
14
55
260.42
mp-1210703
-8.373536
-4.53583
2.1823
other
Mg6Pd10
16
55
245.76
mp-22146
-8.257661
-4.43812
2.121417
other
In6Pd10
16
55
269.14
mp-1501
-7.963313
-3.161097
2.916289
other
Al6Pt10
16
55
232.66
mp-15238
-2.197183
0.334148
2.442272
other
Ho8C10
18
55
280.75
mp-17045
-8.261402
-2.724639
4.066271
other
Hf6Rh10
16
55
256.87
mp-555619
11.894274
11.2359
-2.019574
other
W12O32
44
55
588.74
mp-638005
8.986328
7.310632
-3.565591
other
Se8O16
24
55
396.39
mp-21012
-7.760615
-2.225386
3.805607
original
Si6Rh10
16
55
211.89
mp-1194887
-4.686487
-5.410716
0.674874
other
Ca32As24
56
55
1,453.93
mp-8361
-5.841771
-3.719045
-1.706853
other
Cs4Te4
8
55
368.14
mp-2408
-8.42322
-4.383575
2.170188
other
Ga6Pd10
16
55
233.69
mp-9996
-3.269562
-3.867952
0.623283
other
Si8P16
24
55
525.58
mp-619905
-4.769338
-2.568212
2.771155
other
Ti18Se4
22
55
364.55
mp-624221
-8.075927
-2.392076
3.347451
other
Ge6Rh10
16
55
227.33
mp-1105935
-7.290948
-1.668345
4.590102
other
Si6Ru10
16
55
206.45
mp-21452
6.375208
8.695471
-1.102856
other
Pb12O16
28
55
524.66
mp-1409713
12.052256
10.896553
-2.643894
other
Mo4O10
14
55
219.88
mp-1212684
-8.177408
-10.393514
6.289095
other
Mg20Mn16
36
55
659.39
mp-1405465
11.150938
12.009112
2.770863
other
Ta4O10
14
55
229.84
mp-542382
-6.734777
-6.549736
5.192817
other
Th12Tl12
24
57
717.39
mp-1193728
8.936335
14.74902
-0.786704
other
Mn12O16
28
57
403.93
mp-1209264
-7.261077
-4.981731
2.467233
other
Sn68Os16
84
57
1,995.71
mp-639662
8.705618
1.842659
-0.75024
other
Cr4F20
24
57
316.92
mp-1106232
-7.352198
-5.918437
6.564717
other
Pr8Al8
16
57
415.44
mp-433
-7.48003
-5.727211
6.594459
original
Dy8Al8
16
57
370.3
mp-566278
10.568777
11.169318
-3.112118
other
W4O12
16
57
231.49
mp-16721
-7.468191
-5.65284
6.557776
original
Tm8Al8
16
57
357.47
mp-672237
9.674826
8.096779
-1.34163
other
Pb32O32
64
57
1,342.71
mp-1180464
8.849207
14.332382
-1.119938
other
Mn12O16
28
57
459.12
mp-864637
-7.313911
-5.834877
6.611791
other
Nd8Al8
16
57
405.46
mp-505464
-5.84752
-3.240093
-1.786579
other
Cs8Te52
60
57
2,447.28
mp-1106367
-3.472418
-0.893012
-4.330284
other
Hg4S16
20
57
2,224.98
mp-667371
15.498798
5.694561
0.333146
other
Si56O112
168
57
3,069.41
mp-16507
-7.53043
-5.457136
6.379571
other
Lu8Al8
16
57
349.64
mp-696805
4.79931
0.37355
-3.253494
other
H16S8
24
57
361.08
mp-1101901
0.891493
2.328493
1.62853
other
Re4N8
12
57
113.64
mp-978951
-7.433749
-5.901797
6.603042
other
Sm8Al8
16
57
391.29
mp-30718
-6.134099
-7.46995
1.788042
other
K20Hg28
48
57
1,625.97
mp-1188420
-7.440199
-5.430083
6.580916
other
Ho8Al8
16
57
365.85
mp-22874
0.122303
1.744535
-4.047594
other
P4Br20
24
57
848.4
mp-11225
-7.353975
-5.614583
6.531747
other
Tb8Al8
16
57
375.04
mp-20141
9.13796
14.871371
-0.429446
other
Mn12O16
28
57
297.15
mp-1094417
-4.283493
-3.767947
4.563552
other
Mg12Ti12
24
57
473.5
mp-1192788
9.416683
13.283888
-0.761295
other
Fe12O16
28
57
290.04
mp-720
8.382959
1.491255
0.878226
other
Tl4F4
8
57
172.12
mp-705416
9.691347
13.056538
-0.835136
other
Fe24O32
56
57
632.39
mp-2486616
10.554753
11.167721
-3.107289
other
W4O12
16
57
231.2
mp-1094342
-4.32763
-3.754518
4.564696
other
Mg4Ti4
8
57
157.18
mp-555935
-4.955781
-2.146215
2.662207
other
Ta24S12
36
57
634.27
mp-1078831
-4.507519
-5.393138
0.59214
other
K4As4
8
57
321.17
mp-1094528
-6.154159
-4.258708
3.223677
other
Zr4Sn4
8
57
187.81
mp-600070
15.556844
5.668275
0.347395
other
Si32O64
96
57
1,852.56
mp-1201920
-4.493557
-2.405027
-3.417605
other
Cs16Se64
80
57
2,903.85
mp-1188739
-7.522111
-5.3145
6.378944
other
Er8Al8
16
57
361.4
mp-1201790
-3.371976
-3.87299
0.465413
other
Cs4P28
32
57
878.58
mp-505595
9.621186
13.001687
-0.965278
other
Fe12O16
28
57
316.96
mp-20878
9.734417
8.068514
-1.296723
other
Pb4O4
8
57
162.16
mp-510188
-6.405555
-3.382864
4.409261
other
Hf12Ga12
24
57
436.38
mp-1178531
9.205752
8.514148
1.946332
other
Ba32O32
64
57
1,412.99
mp-1094364
-4.320536
-3.746603
4.570037
other
Mg12Ti12
24
57
464.66
mp-1180226
6.656565
8.705566
-2.087814
other
Na4O4
8
57
105.83
mp-1094291
-6.215549
-4.334594
3.22224
other
Zr12Sn12
24
57
564.16
mp-650112
9.784229
13.098634
-0.810303
other
Fe24O32
56
57
633.12
mp-553964
10.669586
11.131345
-3.041313
original
W4O12
16
57
224.11
mp-672222
-5.487339
-2.336274
2.772646
other
Ta24As12
36
58
613.11