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-15622
-4.537912
-1.834962
-3.152362
other
Hf2Se6
8
11
194.61
mp-1627
-5.468766
1.225749
-4.35826
other
Mo4S6
10
11
168.05
mp-9092
-2.649897
-2.811435
-5.548098
other
Er8S12
20
11
447.98
mp-7332
-3.741877
-3.905344
0.678382
other
Nd2P10
12
11
258.54
mp-9847
-3.578508
-3.957253
0.567457
other
Yb2P10
12
11
240.87
mp-1025522
-5.815573
-3.663027
-1.303131
other
Th2Te6
8
11
297.55
mp-9851
-3.757298
-3.891264
0.731022
other
Ho2P10
12
11
241.57
mp-1180296
9.18347
9.973753
-3.809629
other
Mo4O14
18
11
269.84
mp-1073745
-2.368806
-6.81196
7.740339
other
Mg6Si6
12
11
222.78
mp-1078696
-3.24067
-2.159003
-5.577363
other
Pb4S4
8
11
244.87
mp-1192955
-4.743868
-2.761621
-4.040998
other
In12Se14
26
11
686.47
mp-1073599
-2.550771
-5.368724
7.073024
other
Mg8Si16
24
11
414.46
mp-1206677
7.081841
8.653914
-1.254573
other
Rb2O2
4
11
102.86
mp-567638
-7.813681
-2.909691
2.893375
other
Ta12Pt36
48
11
750.66
mp-776630
13.183642
12.770564
-0.936285
other
V12O18
30
11
315.03
mp-672389
-6.125256
-2.80381
-1.725824
other
Mn4Te4
8
11
205.11
mp-641945
-6.018705
-4.676318
1.152086
other
Tb8Sb20
28
11
811.32
mp-870306
11.047687
13.319799
-3.519718
other
V12O26
38
11
460.46
mp-7493
-5.637886
-5.633708
0.566945
other
Ca2Sb4
6
11
175.9
mp-1087486
-3.256148
-2.149648
-5.557861
other
Pb4S4
8
11
252.73
mp-525
-4.691533
-1.111449
-2.987847
other
Nb6Se18
24
11
545.07
mp-1025459
-5.627589
-2.836698
-1.477613
other
Hf2Te6
8
11
244.57
mp-1100460
-3.062572
-5.194935
6.780647
other
Mg2Si4
6
11
100.16
mp-1094276
-6.20159
-4.279028
3.229378
other
Zr6Sn6
12
11
284.26
mp-9983
-4.660403
-1.162743
-2.642734
other
Ta4Se6
10
11
203.81
mp-556859
8.920705
8.900288
-1.425068
other
Hg8O8
16
11
291.28
mp-541289
-2.709193
-2.697124
-5.598611
other
Y12S18
30
11
717.46
mp-510568
9.573123
12.176016
-4.303227
other
V4O10
14
11
161.27
mp-31103
-6.212362
-2.112221
-0.793314
other
Ni6Te4
10
11
172.92
mp-1073728
-2.234881
-6.69165
7.597724
other
Mg2Si2
4
11
77.04
mp-562561
10.154664
10.478206
-3.833383
other
Mo2O6
8
11
102.21
mp-1019077
0.880202
2.270135
1.626933
other
Re2N4
6
11
56.75
mp-1103475
10.38816
9.299236
-2.088005
other
Te4O8
12
11
171.32
mp-1095184
-4.451434
-3.186013
-2.972082
other
Np2Se6
8
11
224.49
mp-624668
-5.37455
-5.828666
0.67433
other
Ba2Sb4
6
11
219.48
mp-1399
-8.497138
-5.584557
2.944024
other
Al4Au4
8
11
137.66
mp-611062
-5.745396
-5.494835
0.663505
other
Eu2Sb4
6
11
179.22
mp-1192532
3.800625
-0.942857
-2.505677
other
Si10H20
30
11
538.83
mp-11140
-6.059961
-4.614407
1.213915
other
Ho8Sb20
28
11
793.84
mp-878
-2.672845
-2.727841
-5.599077
other
Ho12S18
30
11
702.05
mp-10636
-5.563866
-5.739284
0.623451
other
Sr2Sb4
6
11
195.77
mp-1101660
11.086892
11.878428
2.743895
other
Nb4O10
14
11
205.36
mp-1189177
-2.582956
-0.427383
-5.157649
other
P8S12
20
11
516.26
mp-1079786
-0.952923
2.116001
-3.121301
other
Bi2I6
8
11
401.18
mp-23169
-0.204578
0.565145
-3.307377
other
Pr4Br10
14
11
450.45
mp-978992
3.527654
-0.511173
-2.429882
other
Sn2H8
10
11
116.75
mp-776456
12.808538
10.784903
1.884112
other
Ti12O18
30
11
299.88
mp-556225
-4.003414
-1.230347
-5.367706
other
Ag4S2
6
11
122.89
mp-568792
-6.602786
-2.371479
4.584906
other
Si10Rh8
18
11
254.84
mp-1199016
-7.676859
-4.518298
4.126537
other
Ga40Pt8
48
11
874.13
mp-569776
-7.65309
-1.621696
2.851162
other
Ta4Ni12
16
11
192.19
mp-7260
-2.63615
-0.4422
-4.833879
other
P8S10
18
11
450.33
mp-9850
-3.724039
-4.003557
0.701801
other
Dy2P10
12
11
243.33
mp-570687
1.226613
2.3255
-5.558829
other
Ag2Cl2
4
11
87.6
mp-1078686
2.985699
-0.209165
-1.886168
other
H6W2
8
11
51.42
mp-1192606
-4.41964
-0.987757
-3.105984
other
Nb6Se18
24
11
1,086.21
mp-2330
-4.646643
-1.131165
-2.703576
other
Nb4Se6
10
11
208.13
mp-1182516
-6.257607
-0.348535
3.408096
other
Co4Mo6
10
11
138.97
mp-826026
10.589739
11.171211
-3.119187
other
W4O12
16
11
231.97
mp-849071
-5.672231
-0.332237
-5.351694
other
Cr6S8
14
11
227.16
mp-1065844
-3.687594
-1.735279
-5.159191
other
Rb2S2
4
11
136.25
mp-1094350
-4.286975
-3.77116
4.561945
other
Mg6Ti6
12
11
237.42
mp-1683
-4.617723
-1.776904
-3.193535
other
Zr2Se6
8
11
199.41
mp-30768
-6.509
-6.866122
2.903813
other
Li14Sn6
20
11
360.56
mp-572822
10.438315
11.570523
2.231184
other
Ti4O8
12
11
274.62
mp-680266
-0.153321
0.627807
-3.103174
other
Sm20Br44
64
11
1,912.63
mp-570301
-0.540639
1.169057
-4.57465
other
Ag2Br2
4
11
99.85
mp-1094346
-4.327378
-3.751539
4.57179
other
Mg6Ti6
12
11
235.28
mp-995200
6.762892
1.825374
-3.507489
other
H2C6
8
11
73.16
mp-1080365
-4.27878
-4.977663
-3.41884
other
Ce24Se48
72
11
6,721.53
mp-2475638
-5.171636
-2.982226
4.65027
other
Li2Be2
4
11
45.73
mp-1094386
-6.918956
-8.679098
6.518911
other
Mg16Ti8
24
11
494.46
mp-1075020
-2.287105
-5.668323
7.354841
other
Mg6Si8
14
11
251.44
mp-570987
-6.452323
-5.476721
5.652008
other
Ce12Al4
16
11
412.13
mp-1079923
2.915751
-0.28533
-1.943173
other
H6W2
8
11
69.02
mp-1100450
-2.315486
-6.676379
7.621569
other
Mg4Si4
8
11
150.98
mp-1079919
-7.681518
-11.116492
5.757717
other
Mg6Mn2
8
11
188.3
mp-9848
-3.713501
-3.961723
0.664583
other
Pr2P10
12
11
262.02
mp-1189696
-6.26238
-2.732988
5.143305
other
Si10Ir8
18
11
266.18
mp-1206610
7.061158
8.463249
-1.255575
other
Y2O4
6
11
89.18
mp-1096791
-4.264512
-4.978104
-3.422036
other
Ce32Se64
96
11
9,348.16
mp-1446045
11.793697
13.719246
-2.325498
other
V8O16
24
11
331.35
mp-12700
-7.909058
-2.813545
2.74575
other
Nb4Pt12
16
11
252.25
mp-2025704
-3.996682
-1.141565
-5.28368
other
Ag4S2
6
11
136.1
mp-1190719
-6.375463
-5.549165
0.301441
other
Bi16Mo6
22
11
601.58
mp-1104603
-0.391014
0.419364
-3.329076
other
Ce4Br10
14
11
458.72
mp-1179959
6.153675
8.693576
-1.31335
other
Pb4O6
10
11
153.82
mp-2089
-5.643638
-2.788441
-1.391572
other
Zr2Te6
8
11
248.52
mp-1077235
6.976638
8.406983
-1.030722
other
Sm2O4
6
11
98.81
mp-777514
10.027595
8.455663
3.247744
other
Y8O12
20
11
282.35
mp-1209498
-3.355304
-3.828757
0.480387
other
Rb4P44
48
11
1,196.87
mp-1080310
-4.124961
-3.879154
-3.251724
other
Ce4Se8
12
11
311.69
mp-1187848
-6.207914
-7.030046
2.098981
other
Tl6Co2
8
11
217.19
mp-1203602
7.116026
7.161076
-3.9881
other
Sb6O28
34
11
472.2
mp-1179013
-7.308081
-2.236284
3.281251
other
Ti2Ni2
4
11
54.29
mp-1120746
-8.784947
1.502619
-3.313674
other
Te4Mo2
6
11
800.97
mp-1193944
-2.656497
-2.816403
-5.56803
other
Tm12S18
30
11
681.99
mp-568927
-1.142428
2.701854
-3.046572
other
Ag2I2
4
11
116.55
mp-1073419
-2.815624
-5.289877
6.969298
other
Mg2Si4
6
11
104
mp-608439
6.506316
8.65888
-1.641715
other
Pb4O6
10
11
166.01