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-1073829
-2.337902
-6.658899
7.68509
other
Mg6Si6
12
2
221.91
mp-1077277
-6.344531
-5.057419
3.100858
other
U2Pb4
6
2
173.27
mp-1237875
-3.729499
-8.384068
7.297612
other
Mg8Si4
12
2
231.19
mp-673657
-3.95607
-0.087205
-4.376973
other
Ti14S24
38
2
705.1
mp-1074549
-3.090269
-7.449728
7.676517
other
Mg8Si6
14
2
260.67
mp-1104577
-5.497497
1.084483
-4.360013
other
Mo6S8
14
2
229.11
mp-1215280
-3.916415
-2.27748
-2.830753
other
Zr4Se4
8
2
198.53
mp-715493
12.754931
12.940639
-1.395645
other
V8O14
22
2
260.83
mp-1074753
-3.786829
-8.360172
7.223816
other
Mg8Si4
12
2
248.85
mp-1080797
-4.964128
-7.066129
1.322084
other
Cs4Hg4
8
2
390.25
mp-684710
-4.897404
-1.767201
-5.721888
other
Cu18S10
28
2
415.32
mp-705417
11.853063
12.012801
-0.131054
other
Fe11O12
23
2
249
mp-1074475
-2.868106
-7.36342
7.633872
other
Mg8Si6
14
2
267.38
mp-556262
15.552769
5.695096
0.350408
other
Si16O32
48
2
930.1
mp-1100921
12.308577
9.687364
0.940371
other
V7O3
10
2
147.03
mp-570278
-6.311834
-5.072403
4.20533
other
Yb6Ge16
22
2
483.8
mp-27273
11.48836
12.419654
1.932943
other
Ti18O34
52
2
548.24
mp-729279
8.824182
7.953248
-3.592322
other
U3O10
13
2
212.22
mp-1073630
-2.764082
-5.317412
6.961638
other
Mg8Si16
24
2
423.43
mp-1375229
8.64235
1.84388
0.658492
other
Sn4F12
16
2
290.99
mp-1181087
9.906879
4.102137
-4.051379
other
H24O12
36
2
337
mp-1214889
-6.293679
-2.398105
5.922338
other
Al11Re4
15
2
225.3
mp-1080195
0.460251
2.472974
1.990626
other
Mo8N12
20
2
349.25
mp-1073199
-2.140287
-5.809739
7.354596
other
Mg8Si12
20
2
383.77
mp-1226930
-5.57081
-0.031268
-5.554928
other
Cr19S30
49
2
869.93
mp-1342882
13.008528
10.404746
0.065154
other
W9O13
22
2
378.51
mp-705424
12.184615
11.814337
-0.10006
other
Fe17O18
35
2
377.96
mp-23315
7.594424
6.540824
-3.250346
other
I4O12
16
2
219.74
mp-799417
11.195659
11.272813
-0.310577
other
Fe10O11
21
2
224.47
mp-1104255
8.388288
2.176953
-0.839616
original
Sb2F13
15
2
222.97
mp-642824
8.533759
2.565217
-1.309271
other
S3F18
21
2
260.11
mp-541656
1.871659
2.792583
-4.890717
other
Au4Cl8
12
2
319.55
mp-1300873
7.138507
7.280209
-3.48274
other
Mo2O8
10
2
169.91
mp-1073308
-2.235275
-5.679558
7.32137
other
Mg4Si6
10
2
186.08
mp-971657
-7.702282
-5.389423
2.187244
other
Au6N2
8
2
142.43
mp-32613
10.520916
8.634211
2.849105
other
Ce10O18
28
2
415.61
mp-684706
6.867737
6.552135
-3.862263
other
La2O6
8
2
144.31
mp-1179504
-3.792337
-4.727866
5.929152
other
Si32C12
44
2
675.45
mp-1197857
10.661614
11.169263
-3.065032
other
W8O24
32
2
431.26
mp-766450
7.352106
12.445603
-1.199608
other
Ni12O14
26
2
250.7
mp-689946
7.371146
5.563394
-2.366359
other
Cr8O21
29
2
446.87
mp-558855
7.666075
10.13209
-3.829212
other
Cr8O21
29
2
427.19
mp-1073408
-2.57538
-5.430857
7.001889
other
Mg4Si8
12
2
229.13
mp-666176
-3.349583
0.906003
-4.12197
other
Re8S16
24
2
493.89
mp-1101136
-1.080637
2.089678
-3.202057
other
Te6I24
30
2
1,618.56
mp-1100474
-2.057312
-5.932925
7.504645
other
Mg10Si12
22
2
417.02
mp-763787
11.536494
12.188087
-0.184387
other
Fe8O9
17
2
183.88
mp-1425201
-5.326434
-3.582357
3.512537
other
Ta12S2
14
2
248.28
mp-1209336
-7.35083
-6.018996
4.197723
other
Pr8Sn12
20
2
581.63
mp-1272338
12.946666
13.080352
-1.123152
other
V6O10
16
2
174.05
mp-1103842
-4.817441
-1.718929
1.21064
other
P12Os3
15
2
234.24
mp-1073820
-2.327105
-6.726054
7.651518
other
Mg12Si12
24
2
446.11
mp-1248532
-2.980317
-5.24354
6.855832
other
Mg4Si8
12
2
211.02
mp-1405076
6.696307
6.594114
-3.658365
other
La2O6
8
2
144.31
mp-1075793
-3.1685
-7.708138
7.536701
other
Mg12Si8
20
2
387
mp-2856
-6.821392
-1.9558
6.117506
other
Mn4Al11
15
2
212.76
mp-1396459
7.196019
9.511036
-3.625882
other
Cr8O21
29
2
446.87
mp-1211329
-7.324263
-5.996642
4.098524
other
La8Sn12
20
2
604.14
mp-760168
9.880529
2.900053
1.79214
other
V12F26
38
2
586.21
mp-1204718
8.765102
14.929529
-0.984787
other
Mn32O48
80
2
841.82
mp-684959
-4.190698
-4.171145
-3.685531
other
Sm10Se18
28
2
710.31
mp-1074412
-2.972614
-7.508417
7.435767
other
Mg8Si6
14
2
280.32
mp-1277428
12.012293
13.481715
-2.381092
other
V6O12
18
2
213.78
mp-714931
12.090047
12.289133
-2.552665
other
V4O8
12
2
271.27
mp-569436
2.044655
2.952447
-4.400022
other
Mo2Cl10
12
2
319.22
mp-1073369
-2.469903
-5.455263
7.105925
other
Mg4Si8
12
2
223.14
mp-1073277
-2.811116
-5.235227
6.940523
other
Mg4Si8
12
2
203.32
mp-1226086
-6.514535
-2.658102
-1.693261
other
Cr10Te12
22
2
541.58
mp-1074228
-2.508578
-5.480021
7.087604
other
Mg8Si14
22
2
414.4
mp-659211
2.137028
2.811589
-4.478562
other
Ga2Cl6
8
2
285.16
mp-1364133
-4.792805
-2.520186
2.600544
other
Ti45Se16
61
2
1,009.33
mp-541582
-3.326651
0.236024
-3.205903
other
Re4Se8
12
2
265.05
mp-1073754
-2.351611
-6.830544
7.704226
other
Mg12Si12
24
2
444.16
mp-1073469
-2.981121
-5.23243
6.829606
other
Mg4Si8
12
2
205.85
mp-1412630
7.411122
4.938552
-2.133437
other
Co2N24
26
2
467.53
mp-673655
-5.491231
-2.906204
-4.498854
other
Cu18Se10
28
2
472.75
mp-1182887
6.666093
8.567816
-2.696926
other
Al4O12
16
2
229.16
mp-715457
12.820309
12.661525
-1.277467
other
V8O14
22
2
266.62
mp-1214278
5.68857
2.837316
-3.519108
other
C26Cl24
50
2
1,059.94
mp-30260
-8.398726
-1.786896
3.006574
other
Zr8Ni21
29
2
394.43
mp-1193697
-3.702663
-1.423364
-5.490967
other
Ge8S20
28
2
774.57
mp-1386900
-3.751626
-0.944094
-4.267457
other
Ti4S8
12
2
302.27
mp-27896
8.503917
2.05183
-0.859554
other
B8F24
32
2
413.91
mp-1184859
0.017818
2.261634
-3.548753
other
H2I6
8
2
533.07
mp-571266
1.857466
2.420043
-5.052647
other
Ga2Cl6
8
2
285.16
mp-753607
10.798546
0.047506
0.653247
other
Mn7F18
25
2
391.25
mp-1221178
-6.417639
-6.641496
2.186041
other
Na28Sn48
76
2
2,358.12
mp-1178831
12.499651
11.983338
-1.826772
other
V8O14
22
2
494.45
mp-1078702
-4.955875
-4.745765
0.279641
other
Eu2As6
8
2
195.17
mp-1072994
-2.288155
-5.602585
7.288042
other
Mg8Si12
20
2
361.48
mp-1073454
-2.502972
-5.413016
7.098633
other
Mg8Si16
24
2
424.52
mp-1096893
0.685859
3.087966
1.545105
other
Cr16N32
48
2
1,194.44
mp-1006118
-2.50033
-0.283776
-5.117697
other
P4S14
18
2
466
mp-766681
6.177567
13.448135
-2.493238
other
Co15O28
43
2
471
mp-1095514
5.607105
2.055996
-2.663234
other
B2C10
12
2
72.33
mp-705753
12.471203
11.545197
0.040294
other
Fe38O39
77
2
817.94
mp-9122
-3.631629
-4.122025
0.635583
other
Ca2P6
8
2
162.34
mp-1180041
1.875281
2.774752
-4.718689
other
Pd6Cl12
18
2
613.69
mp-1182902
9.10734
0.956372
1.103963
other
Al2F6
8
2
100.5
mp-1073387
-2.562157
-5.414451
7.06369
other
Mg8Si16
24
2
436.84