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-1080262
-4.2579
-4.985667
-3.421962
other
Ce8Se16
24
14
1,438.6
mp-29179
1.411479
2.351658
-5.263388
other
Sn8Cl16
24
14
665.72
mp-734582
4.55591
2.895956
-4.174258
other
C16S48
64
14
1,829.49
mp-29502
-6.058964
-3.434504
-2.10286
other
Al16Te24
40
14
1,396.19
mp-1102900
-3.998219
-1.249416
-5.294165
other
Ag8S4
12
14
265.29
mp-1605
7.166381
9.714958
-1.816448
other
Ag6O8
14
14
182.6
mp-1021522
11.899478
13.564484
-2.495058
other
V8O16
24
14
260.35
mp-540622
8.565187
1.98822
-0.708784
other
Rh8F40
48
14
627.06
mp-30954
-1.168767
2.499509
-2.945817
other
Ga4I12
16
14
713.51
mp-1536
-5.079339
-6.149425
0.530492
other
K8Sb8
16
14
618.12
mp-1075786
-3.183305
-7.705135
7.522029
other
Mg12Si8
20
14
379.83
mp-430
10.520932
12.516942
1.844321
original
Ti4O8
12
14
116.45
mp-30930
-1.163804
2.333459
-2.964902
other
Al4I12
16
14
725.39
mp-1196514
-2.853032
-0.634519
-5.053086
other
K8S24
32
14
903.07
mp-1182259
7.122213
8.588312
-1.835115
other
Ba8O16
24
14
463.46
mp-1182915
7.647534
7.61232
-4.094331
other
Al8O24
32
14
470.33
mp-755066
12.562485
7.55715
0.511349
other
Al8O12
20
14
190.14
mp-542570
-4.221437
-2.486538
-3.487556
other
As16Se16
32
14
937.15
mp-29767
-4.932391
-1.87663
-3.147656
other
Pt10Se8
18
14
338.49
mp-1182433
6.695809
6.100749
-3.739893
other
Ba4O16
20
14
360.06
mp-542630
-2.479171
-0.350797
-5.203565
other
P16S36
52
14
1,421.25
mp-1359089
-3.359288
-0.981037
-5.159526
other
Sb8S20
28
14
937.72
mp-567789
-1.176818
2.523379
-2.937596
other
In4I12
16
14
749.48
mp-728122
8.735885
7.94844
-3.657996
other
U12O40
52
14
846.46
mp-647589
-6.894337
-4.537203
5.394029
other
La24Ge44
68
14
1,647.79
mp-27647
2.012343
2.847464
-4.518796
other
Au4Cl12
16
14
445.87
mp-757854
9.896179
2.379221
-0.088705
other
V4F20
24
14
341.42
mp-28223
-4.261921
-3.916415
-3.607336
other
La4Se8
12
14
345.97
mp-1095294
-3.272027
-1.725616
-5.687788
other
Si4S8
12
14
291.14
mp-583714
9.765116
8.644329
2.344393
other
Pr40O72
112
14
1,853.02
mp-726866
6.484658
5.956565
-3.736238
other
N4O8
12
14
249.03
mp-759987
10.259574
0.484844
-0.058513
other
Mn8F28
36
14
518.9
mp-554340
9.902547
2.307371
1.949679
other
Cr2F4
6
14
77.88
mp-1214152
5.334665
3.003474
-4.017947
other
C8S12
20
14
444.05
mp-31104
-5.542829
-6.211973
0.847247
other
K16Bi16
32
14
1,317.4
mp-1101189
9.681723
2.285718
-0.153477
other
V4F20
24
14
364.33
mp-27747
-1.104991
2.292751
-3.368841
other
Pd4I8
12
14
410
mp-568024
1.246889
2.553364
-4.353313
other
I8Cl8
16
14
579.5
mp-1095637
-3.832366
-3.921947
0.756735
other
Pr4P8
12
14
265.84
mp-974434
8.718368
2.139273
-0.506002
other
Ru2F8
10
14
126.86
mp-1214283
5.760003
2.761085
-3.498661
other
C40Cl32
72
14
1,423.98
mp-755
-6.41087
-3.198465
0.733003
other
Co4Sb8
12
14
240.52
mp-1198133
-5.059895
-4.502913
6.024411
other
Y20Si16
36
14
845.7
mp-7904
-3.385983
-3.851988
0.508295
other
Cd2P8
10
14
206.57
mp-200
-3.629713
-3.939531
0.588249
other
La4P28
32
14
658.73
mp-754531
12.639061
7.466691
0.631516
other
Al8O12
20
14
209.77
mp-1201738
14.663433
5.996067
-0.075922
other
Si32O64
96
14
1,138.39
mp-978114
10.860013
9.160203
0.024308
other
Sn10O12
22
14
392.79
mp-1103658
-2.671573
-2.580761
-5.490149
other
La4S8
12
14
279.63
mp-561397
9.24387
5.354687
-5.839019
other
S4O12
16
14
213.3
mp-568593
-6.611597
-3.595144
0.156708
other
Pd68Se22
90
14
1,482.34
mp-541341
8.405835
2.133428
-0.886656
other
Pt8F40
48
14
627.43
mp-572892
-3.630723
-1.413489
-5.585933
other
Ge16S32
48
14
1,312.46
mp-850131
-5.375097
-0.958372
-4.256063
other
Ni2S4
6
14
94.35
mp-2858
10.801333
9.929065
3.973895
other
Zr4O8
12
14
141.67
mp-1212012
-4.815375
-7.208039
1.76129
other
K40Tl28
68
14
3,197.3
mp-23288
-0.293871
1.216145
-4.157107
other
Al4Br12
16
14
563.94
mp-1196387
-1.976437
2.158038
-3.044677
other
W24I64
88
14
3,715.79
mp-1196867
2.323098
2.492942
0.476332
other
La8N24
32
14
600.55
mp-1320
-4.097906
-3.920749
-3.275501
other
Ce4Se8
12
14
295.4
mp-1204051
6.582721
6.00959
-3.825866
other
Na8O36
44
14
711.01
mp-1374127
8.821205
1.763319
-0.657207
other
Cr4F20
24
14
362.75
mp-765600
9.722849
2.281414
-0.157526
other
V4F20
24
14
365.35
mp-755211
7.567358
9.638869
-3.864563
other
Cr4O12
16
14
298.91
mp-1080632
-4.271023
-4.98076
-3.41854
other
Ce24Se48
72
14
5,611.59
mp-1207529
-5.625383
-4.164001
3.547795
other
Zr4Pb4
8
14
210.6
mp-30970
-8.270823
-6.105076
6.391339
other
Er24Co14
38
14
814.05
mp-1198148
6.683145
5.974218
-3.809682
other
Ba4O40
44
14
776.88
mp-619575
8.235909
2.808419
-1.221216
other
Cl8F24
32
14
491.74
mp-769096
-4.755383
-1.793508
1.076434
other
Mn6P24
30
14
448.12
mp-415
0.674793
2.253947
1.838873
other
Ir4N8
12
14
112.61
mp-29014
-2.604012
-0.404939
-5.03472
other
P16S24
40
14
1,029.75
mp-1194715
11.542996
8.031641
-3.133724
other
As16O24
40
14
667.25
mp-630528
-4.003034
-1.548732
-5.738571
other
In4S4
8
14
188.25
mp-570668
-4.21001
-3.964418
-3.618788
other
La4Se8
12
14
315.67
mp-23261
7.481158
6.33132
-3.051226
other
I8O20
28
14
429.71
mp-1106184
-4.117257
1.544315
2.85233
other
Mn4B16
20
14
142.99
mp-2831849
0.738667
2.370901
1.796893
other
Rh4N8
12
14
113.87
mp-651155
-1.102849
2.170234
-3.134933
other
Te16I64
80
14
3,810.02
mp-687150
8.183455
7.966825
-3.92975
other
U2O8
10
14
163.52
mp-1190908
-8.159025
-3.509605
4.895101
other
Ga18Rh4
22
14
359.25
mp-7944
-5.376421
-6.01081
0.535669
other
Na8Sb8
16
14
477.14
mp-636839
5.182855
3.394998
-3.536421
other
Hg4N12
16
14
278.92
mp-1237467
-4.27774
-4.38302
-3.378781
other
Ce16Se32
48
14
1,526.22
mp-634117
5.633038
-0.193382
-3.082503
other
B4H12
16
14
147.13
mp-554799
10.173792
2.539557
0.367507
other
V2F8
10
14
125.02
mp-845
-8.528747
-5.059488
2.936028
other
Cu20Sn16
36
14
629.42
mp-1182022
-4.612276
-3.223371
-3.556474
other
Bi4Se4
8
14
271.24
mp-559956
7.215446
8.355942
-0.809139
other
Pr40O72
112
14
1,857.25
mp-2715
-6.235378
-2.054945
0.825733
other
Co4As8
12
14
183.77
mp-570796
2.195433
2.768631
-4.684571
other
Sb8Cl40
48
14
1,411.66
mp-2084
-5.986502
-2.873617
5.321391
other
Si40Ir24
64
14
948.78
mp-776688
13.140271
12.375787
-0.746681
other
V8O12
20
14
236.66
mp-1176433
10.651769
0.010345
0.252965
other
Mn4F12
16
14
213.08
mp-1178951
7.895974
8.334488
-3.595438
other
Te2O8
10
14
136.77
mp-1229
9.393398
0.729942
-0.346685
other
Cu2F4
6
14
68.09
mp-27798
6.450959
0.354369
-3.435021
other
B64H80
144
14
1,454.21
mp-1268079
15.617727
5.646859
0.346802
other
Si64O128
192
14
3,976.45
mp-1204579
5.980991
5.313056
-4.440558
other
N16O48
64
14
883.81
mp-27645
1.949654
2.748489
-4.490733
other
Re8Cl40
48
14
1,430.95