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-1194315
-5.778774
-1.434894
1.182478
other
Ni14P14
28
36
346.28
mp-632229
2.15518
2.389682
-3.807709
other
H2Br2
4
36
95.96
mp-754401
12.692881
7.209518
0.814918
other
Al4O6
10
36
131.07
mp-715438
9.449188
13.288923
-0.745425
other
Fe6O8
14
36
143.55
mp-2798
-3.048277
-3.792592
0.763431
other
Si12P12
24
36
520.85
mp-1194076
-3.068414
-2.293724
-5.136014
other
Yb12S18
30
36
684.24
mp-568856
-6.214122
-1.858224
1.327838
other
Mn12As8
20
36
288.05
mp-571636
1.037911
2.263258
-5.375839
other
In2Cl2
4
36
124.69
mp-2831286
10.67829
12.406505
0.126861
other
Mn4O4
8
36
111.35
mp-29721
6.265061
0.211825
-3.341201
other
B12H20
32
36
307.61
mp-726658
7.625763
2.765207
-1.629841
other
N2F2
4
36
103.36
mp-1071868
6.156035
3.88403
-3.33155
other
K2N4
6
36
90.42
mp-717
13.903451
4.318634
-2.295901
other
B4O6
10
36
74.62
mp-23297
8.311014
2.639425
-1.140463
other
Br2F6
8
36
125.08
mp-1103186
-3.474538
-1.135829
-4.801453
other
As6S6
12
36
259.21
mp-567687
-1.054435
2.602461
-2.998902
other
Cr2I4
6
36
232.87
mp-1084851
-4.278225
-4.978186
-3.417325
other
Ce12Se24
36
36
3,035.47
mp-23292
-0.498186
1.292758
-4.198184
other
Hg2Br4
6
36
207.27
mp-1078791
6.12982
2.367785
-2.980149
other
C4N6
10
36
67.48
mp-556218
15.509625
5.712881
0.349111
other
Si12O24
36
36
615.73
mp-1078644
11.072952
9.161427
0.307849
other
Sn4O4
8
36
152.75
mp-1185953
-3.759224
-1.068613
-5.682623
other
Mg2S4
6
36
122.96
mp-7670
-4.62978
-2.674616
-3.741041
other
K4Se6
10
36
310.29
mp-1194759
-5.657805
-5.547285
3.419336
other
Ba14Ge78
92
36
2,218.42
mp-697111
10.627162
3.329504
-4.142519
other
H8O4
12
36
115.07
mp-8073
-6.957845
-3.922455
1.188327
other
As4Pd8
12
36
188.48
mp-632326
3.365267
2.638299
-4.035695
original
H2Cl2
4
36
80.24
mp-1078828
0.38721
2.282351
2.001293
other
Os4N4
8
36
84.96
mp-673658
10.625662
3.36022
-4.041246
other
H8O4
12
36
102.71
mp-1445941
2.188344
2.37507
1.127902
other
Bi2N2
4
36
74.83
mp-1079600
-3.433355
-1.192616
-5.159492
other
Cs4S6
10
36
351.87
mp-1247786
-4.241198
-4.456504
-3.397394
other
Ce4Se8
12
36
569.88
mp-1182330
-3.257715
-1.148709
-4.840149
other
As6S6
12
36
308.13
mp-32669
-4.028996
-1.21249
-5.358038
other
Ag4S2
6
36
128.13
mp-7449
-4.565893
-2.729953
-3.592622
other
Cs4Se6
10
36
391.73
mp-1095181
4.808228
3.308565
-3.436099
other
N6Cl2
8
36
197.31
mp-1042110
9.731592
10.252234
-3.449172
other
Re4O14
18
36
418.92
mp-1194071
-3.138319
-2.207532
-5.086382
other
Yb12S18
30
36
723.41
mp-7446
-3.441974
-1.251092
-5.266585
other
Rb4S6
10
36
306.63
mp-557264
15.609528
5.664577
0.397004
other
Si16O32
48
36
773.33
mp-7667
-3.414963
-1.276534
-5.355851
other
K4S6
10
36
272.41
mp-569727
-6.845815
-4.524517
0.277892
other
Bi8Pd8
16
36
351.69
mp-685146
-6.125805
-3.448958
-2.391686
other
Cd2Te2
4
36
145.52
mp-30380
-8.575
-5.941234
2.217051
other
Ga4Au8
12
36
206.42
mp-28832
-6.14948
-1.884462
1.222539
other
Mn10As8
18
36
271.66
mp-632296
9.502485
2.830122
-2.320329
other
H2F2
4
36
38.59
mp-1887
-5.588824
-1.091886
2.077105
other
Mo2P4
6
36
88.45
mp-1213763
8.220581
2.702458
-1.120825
other
Cl2F10
12
36
165.42
mp-542106
-6.952405
-4.112458
0.764145
other
Sb4Pd8
12
36
211.27
mp-11328
-5.557056
-1.169667
2.023963
other
P4W2
6
36
88.67
mp-1080271
-4.063719
-2.814734
-4.098738
other
Cs4Se2
6
36
280.69
mp-607960
-7.880872
-6.324851
2.457662
other
Cd54Pd16
70
36
2,688.38
mp-2214678
11.969291
13.452123
-2.514664
other
V4O8
12
36
140.07
mp-554074
-4.069727
-0.060022
-3.77134
other
Nb4S8
12
36
371.24
mp-27987
8.165378
2.583963
-1.098942
other
Br2F10
12
36
177.02
mp-1197413
-5.660052
-4.837139
2.165718
other
Sc36Te8
44
36
1,049.96
mp-23173
-0.900771
2.332768
-3.197427
other
Hg2I4
6
36
259.03
mp-1219986
-5.544179
-1.720285
-3.255486
other
Ni12Se10
22
36
356.23
mp-1073644
-2.538019
-5.496148
6.990186
other
Mg4Si8
12
4
236.93
mp-1016070
0.693125
3.065177
1.572708
other
Cr4N8
12
4
246.43
mp-685174
-0.438875
1.206288
-4.428238
other
In64Br96
160
4
5,834.92
mp-1096549
-3.875165
-4.712259
5.791289
other
Si16Ge16
32
4
702.56
mp-760218
10.162229
2.57201
0.688953
other
V8F28
36
4
504.3
mp-1207665
-3.100741
-7.917012
2.104395
other
Y2C2
4
4
937.61
mp-685168
8.957123
1.191779
1.060856
other
Be16F32
48
4
553.68
mp-12177
9.840902
9.493118
-1.95859
other
Te4O10
14
4
196.85
mp-1182418
6.582715
6.124362
-3.655878
other
Br4O16
20
4
350.32
mp-557082
10.485953
3.499104
-4.118848
other
H24O12
36
4
250.81
mp-1214291
6.962321
8.559087
-2.988693
other
Be12O24
36
4
444.19
mp-1101328
9.776711
12.44534
-4.276075
other
V18O44
62
4
767.23
mp-1075504
-2.234125
-6.04463
7.524936
other
Mg10Si12
22
4
394.05
mp-1182293
6.409091
5.854199
-3.923014
other
Br4O16
20
4
501.02
mp-1221991
-7.126024
-0.272051
4.171136
other
Mn14Fe6
20
4
222.09
mp-726151
3.956828
3.346014
-3.692729
other
N16Cl4
20
4
330.33
mp-760309
10.319627
0.291714
-0.113775
other
Mn8F28
36
4
458.23
mp-23206
-6.847334
-4.526486
0.2829
other
Bi8Pd8
16
4
351.14
mp-616580
11.229405
9.098325
0.740789
other
U10O30
40
4
614.68
mp-1182215
7.509092
7.092346
-4.464565
other
Be4O8
12
4
152.13
mp-1073722
-2.355749
-6.820135
7.701041
other
Mg12Si12
24
4
443.41
mp-555891
15.658228
5.634215
0.356537
other
Si4O8
12
4
200.28
mp-567596
-4.723297
-2.748467
-4.037197
other
In12Se14
26
4
704.04
mp-690
-2.635156
-0.472145
-4.957124
other
P8S10
18
4
469
mp-776081
8.897185
8.589972
0.241926
other
K4O2
6
4
132.22
mp-752907
9.674839
2.299469
-0.166139
other
V4F20
24
4
364.59
mp-1214378
5.816447
2.617847
-3.45548
other
C32S16
48
4
966.54
mp-1798334
2.190027
2.374545
1.12898
other
Bi2N2
4
4
74.82
mp-684642
5.147001
3.155365
-3.996257
other
S18N18
36
4
728.97
mp-1074751
-3.727946
-8.3503
7.24586
other
Mg8Si4
12
4
252.57
mp-1074641
-3.648694
-8.338967
7.307332
other
Mg8Si4
12
4
235.08
mp-30168
7.852233
0.488111
-4.362251
other
H68C38
106
4
942.58
mp-571006
-3.571311
-3.959171
0.56245
other
Yb4P20
24
4
501.46
mp-850411
-5.63353
-0.809265
-3.944891
other
Fe14S16
30
4
396.02
mp-1180808
5.959636
5.264061
-4.430261
other
N8O18
26
4
438.58
mp-542817
-7.339308
-3.876042
3.445086
other
U8Pt8
16
4
350.96
mp-1080338
-4.283279
-4.972404
-3.415405
other
Ce4Se8
12
4
932.82
mp-972808
15.441597
5.744729
0.331374
other
Si4O8
12
4
177.63
mp-1178720
7.069178
7.435723
-4.032798
other
Zn4O8
12
4
135.07
mp-560025
-3.967896
-1.309364
-5.38659
other
Ag4S2
6
4
127.46
mp-1173466
5.007395
3.12576
-3.996442
other
S18N18
36
4
837.13
mp-1178865
7.43725
7.070848
-3.84713
other
W4O20
24
4
489.11