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-684589
9.675806
8.548085
-0.35985
other
Bi8O10
18
9
343.21
mp-1080257
-4.26939
-4.953784
-3.41476
other
Ce4Se8
12
9
677.87
mp-1178239
12.411874
11.129615
0.026083
other
Fe4O4
8
9
106.64
mp-1203031
-3.584512
-1.377995
-5.620313
other
Sn12S28
40
9
2,332.82
mp-1224485
-4.456846
-2.299495
-2.962961
other
Hf8Se12
20
9
449.17
mp-640556
15.429148
5.745689
0.334914
other
Si24O48
72
9
1,064.5
mp-1080362
-4.269694
-4.981147
-3.420978
other
Ce24Se48
72
9
5,257.17
mp-1101861
-7.62275
-10.642509
5.347589
other
Mg8Ni4
12
9
226.19
mp-1182643
7.192959
5.839724
-4.390809
other
P8O20
28
9
1,150.24
mp-726080
7.836401
7.038099
-4.639687
other
S2O8
10
9
179.22
mp-1340
-4.799263
-2.665998
-3.959122
other
Ga4Se6
10
9
251.71
mp-22869
6.428395
6.111609
-3.674875
other
Cl4O12
16
9
227.72
mp-608072
-6.022413
-7.098487
3.557001
other
Sr8In8
16
9
576.86
mp-1181699
6.426447
5.815889
-3.835631
other
Cl2O6
8
9
159.24
mp-1191893
-4.018087
-3.894228
0.722029
other
Ce8P16
24
9
499.21
mp-757128
9.724652
2.309292
-0.20083
other
V2F10
12
9
171.01
mp-714911
12.947431
13.086708
-1.128384
other
V6O10
16
9
174.06
mp-660594
8.356097
2.199884
-0.869306
other
Pt2F8
10
9
137.24
mp-1228491
-4.026756
-1.327624
-6.1773
other
Al4S6
10
9
217.81
mp-673633
-3.767541
-1.271819
-5.83259
other
In4S6
10
9
267.62
mp-680731
-6.013872
-3.491281
-2.186118
other
Tl4Te6
10
9
364.32
mp-29815
-5.267192
-4.228116
0.494214
other
La8As16
24
9
612.5
mp-38970
-6.020049
-3.378443
-2.220747
other
Ga4Te6
10
9
320.9
mp-539
-3.962729
-1.372971
-5.82536
other
Ga4S6
10
9
219.11
mp-555235
15.482857
5.72122
0.345479
other
Si4O8
12
9
181.82
mp-11674
-4.765141
-3.028693
-4.177533
other
Al4Se6
10
9
252.55
mp-663300
8.575657
1.930614
-0.745811
other
Pd2F8
10
9
135.42
mp-647169
6.544454
2.439406
-2.69923
other
C120F36
156
9
1,874.59
mp-1101086
-4.358472
-1.900579
-3.382977
other
Ag2Se10
12
9
638.08
mp-553955
12.586182
11.574724
-1.699092
other
V4O6
10
9
205.95
mp-672302
-4.54435
-2.408495
-3.816235
other
Ga4Se6
10
9
382.51
mp-1195608
5.871941
2.262969
-3.039589
other
C200Cl44
244
9
3,590.29
mp-1873967
9.724843
2.508968
-0.158617
other
V2F8
10
9
162.79
mp-1015026
0.646925
3.155361
1.512119
other
Cr4N8
12
9
183.48
mp-530081
0.369032
2.022409
2.428194
other
Mo30N32
62
9
644.9
mp-684704
10.402215
3.461428
-4.092193
other
H8O4
12
9
138.84
mp-1225858
-5.6278
-0.822297
-3.895921
other
Fe22S24
46
9
595.32
mp-638033
13.888231
6.093028
-0.56754
other
Si8O16
24
95
346.11
mp-1378817
-6.712609
-0.728189
3.79962
other
Mn40Si16
56
96
653.16
mp-2739
10.34546
9.198976
-2.156095
other
Te4O8
12
96
178.26
mp-1190176
-5.583929
-6.874489
3.147255
other
Ba12Sn8
20
96
812.12
mp-1080635
-4.27446
-4.97942
-3.419014
other
Ce12Se24
36
96
2,380.9
mp-618991
-4.81174
-1.709995
-5.754359
other
Cu8S4
12
96
174.5
mp-559872
15.203233
5.833653
0.174133
other
Si12O24
36
96
491.82
mp-1353259
15.524536
5.589308
0.257486
other
Si12O24
36
96
959.19
mp-1413546
11.018234
7.837755
-4.237933
other
As8O20
28
96
344.19
mp-704718
-1.014467
2.310235
-3.278985
other
Pt12I32
44
96
1,599.85
mp-913
-3.411266
-3.953605
0.642608
other
Cd8P16
24
96
560.75
mp-7029
15.3304
5.791691
0.303427
other
Si4O8
12
96
170.84
mp-11025
-3.455226
-3.792459
0.555789
other
Zn8P16
24
96
470.14
mp-1021499
-5.560844
-2.964196
-4.605548
other
Cu8Se4
12
96
206.39
mp-1014339
0.66933
3.111955
1.542035
other
Cr12N24
36
96
616.58
mp-1200749
-6.135237
-3.542806
3.814439
other
Zr20Ge16
36
92
695.18
mp-28320
-1.039782
2.331574
-3.260795
other
Pt12I32
44
92
1,586.3
mp-555434
11.017915
7.83794
-4.238079
other
As8O20
28
92
344.2
mp-680178
-0.444071
1.211616
-4.47853
other
In80Br112
192
92
6,897.6
mp-2782
-3.458446
-3.785446
0.564337
other
Zn8P16
24
92
465.53
mp-1247785
-4.270528
-4.982129
-3.421066
other
Ce4Se8
12
92
855.62
mp-23939
8.753094
5.005667
-3.860967
other
H8O8
16
92
125.42
mp-1097766
0.856731
2.941448
1.46833
other
Cr12N24
36
92
858.57
mp-7623
-4.896197
-4.525151
0.094434
other
Mg4As16
20
92
469.74
mp-1097757
0.827673
2.968683
1.491833
other
Cr12N24
36
92
973.83
mp-542465
-5.09409
-4.483101
6.221385
other
Pr20Si16
36
92
973.01
mp-505527
-5.388349
-2.734775
4.280602
other
Ti20Si16
36
92
543.96
mp-778470
8.777129
14.804156
-1.067773
other
Mn64O96
160
92
1,888.2
mp-608655
-6.704382
-0.722174
3.801544
other
Mn40Si16
56
92
649.22
mp-557
10.345683
9.199739
-2.157209
other
Te4O8
12
92
178.69
mp-1456
8.719021
13.192501
-1.306533
other
Fe64O96
160
92
1,860.08
mp-28015
8.723932
4.899476
-3.806519
other
H8O8
16
92
117.88
mp-1080259
-4.285681
-4.445043
-3.413215
other
Ce4Se8
12
92
383.68
mp-7812
11.775331
7.249731
-1.018943
other
Ge4O8
12
92
176.34
mp-1102227
6.686256
4.904276
-4.67319
other
C4O8
12
92
185.85
mp-18345
-5.044871
-4.522962
6.032166
other
La20Si16
36
92
1,016.12
mp-17216
-5.199915
-3.430397
4.575366
other
Hf20Si16
36
92
634.25
mp-696735
10.521655
3.429616
-4.14193
other
H24O12
36
92
280.49
mp-7457
8.921729
2.072993
1.456595
original
Sn4F8
12
92
214.32
mp-1196829
-5.096886
-4.475704
5.825545
other
Ce20Si16
36
92
893.86
mp-604717
15.500374
5.600679
0.242265
other
Si12O24
36
92
908.43
mp-6945
15.360505
5.777554
0.31433
other
Si4O8
12
92
172.84
mp-1179529
15.514527
5.593017
0.252488
other
Si12O24
36
92
955.79
mp-355
-5.147357
-4.487376
6.231613
other
Nd20Si16
36
92
946.21
mp-28227
-6.350949
-2.038741
0.985557
other
Ni44As32
76
92
1,013.41
mp-1080335
-4.288189
-4.545114
-3.416219
other
Ce4Se8
12
92
419.26
mp-561066
-3.535961
-1.79633
-5.541391
other
Tl32S32
64
92
1,932.58
mp-1196036
-1.878695
2.21973
-3.022348
other
W24I72
96
92
4,106.83
mp-582134
-7.908902
-5.900448
6.188743
other
Y48Ni32
80
92
1,834.48
mp-14587
-3.48767
-3.872017
0.516038
other
Zn4P16
20
92
372.59
mp-1198479
-6.704703
-0.833229
3.956543
other
Mn40Si16
56
92
666.49
mp-1304
-5.242778
-3.367958
4.402683
other
Zr20Si16
36
92
665.83
mp-12112
-3.412458
-3.943026
0.643397
other
Cd8P16
24
92
554.36
mp-1216920
-3.082739
-2.539011
-4.077705
other
U5S10
15
97
303.09
mp-1080288
-4.264977
-4.968848
-3.411531
other
Ce4Se8
12
98
827.45
mp-1080354
-4.273764
-4.983799
-3.405448
other
Ce8Se16
24
98
1,741.34
mp-545719
15.263736
5.709875
0.167529
other
Si4O8
12
98
182.34
mp-560954
15.292476
5.643226
0.128812
other
Si8O16
24
98
383.66
mp-471
-4.866681
-4.774117
0.171587
other
Cd2As4
6
98
152.66
mp-1220206
-5.830469
-3.828723
-1.323954
other
Nd4Te7
11
99
369.28
mp-1220361
8.320776
9.444066
-1.079635
other
Nb1O3
4
99
63.57
mp-1016240
-6.878157
-11.782628
6.114898
other
Mg3C1
4
99
75.4
mp-1222172
-8.574578
-5.837071
1.9908
other
Mg3Au13
16
99
277.69