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-1185967
-3.282697
-5.062882
6.270924
other
Mg2Si6
8
194
130.86
mp-1018730
-8.2126
-5.616473
3.119165
other
In4Cu2
6
194
131.55
mp-867143
-7.816495
-4.751167
5.615317
other
Sm2Ga6
8
194
158.97
mp-13178
2.336091
2.058228
1.881457
other
Al2N2
4
194
39.78
mp-570430
-6.910743
-0.784129
4.022992
other
Ta4Co8
12
194
153.96
mp-1238834
-4.803573
0.047036
2.981096
other
V2C2
4
194
36.34
mp-1078389
0.318435
1.972526
2.464463
other
Mo4N4
8
194
80.15
mp-1187118
-6.389445
-6.794281
2.241014
other
Sn2Pb6
8
194
243.77
mp-1018796
-3.749338
-8.395061
7.075132
other
Mg4Si2
6
194
112.69
mp-975059
-6.271492
-7.254527
2.142188
other
Mn2Tl6
8
194
212.4
mp-1185053
-8.03695
-3.499323
2.635993
other
K2Pt6
8
194
169.06
mp-1183348
-8.055843
-5.930816
1.874121
other
Au6Br2
8
194
177.66
mp-1196805
-7.693876
1.009588
5.043925
other
Gd4Fe34
38
194
521.21
mp-1274
-5.80945
-1.144202
-3.901712
other
Co2S2
4
194
49.84
mp-1185558
-4.06784
-7.005458
1.639193
other
Cs2K6
8
194
706.3
mp-1094466
-7.647625
-9.531166
6.526993
other
Mg6Zr2
8
194
173.17
mp-1186033
-5.43613
-7.27238
2.929841
other
Na6Ag2
8
194
214.87
mp-1186858
-3.836732
-7.163188
2.183893
other
Rb6Nb2
8
194
457.4
mp-30882
-7.559314
-4.397707
3.770894
other
Ti4Zn8
12
194
177.64
mp-974322
-7.580333
-6.819649
6.846581
other
Ho6Mg2
8
194
232.32
mp-1412685
6.900038
6.478802
-2.551819
other
Fe2O4
6
194
82.38
mp-1103373
-6.234418
-6.467241
2.186149
other
K4Sn8
12
194
374.84
mp-2400
-3.548433
-1.489162
-5.552519
other
Na4S4
8
194
174.63
mp-1079229
-7.874362
-9.679222
4.815165
other
Mg6Pd2
8
194
154.5
mp-972125
-6.996218
-6.74668
6.935236
other
Li2Tb6
8
194
237.14
mp-1184501
-6.331058
-5.492491
1.141734
other
Gd2Bi6
8
194
242.93
mp-1412175
7.781352
5.831649
-1.906747
other
Mo2O4
6
194
90.04
mp-1095643
-6.406891
-1.113269
4.149527
other
Nb4Cr8
12
194
166.49
mp-976751
-6.80961
-6.699599
7.003601
other
Nd6Zr2
8
194
254.98
mp-11527
-9.19375
-1.182106
2.761041
other
Tm4Ni34
38
194
468.98
mp-1184285
-6.550402
-6.080781
2.047867
original
Ga2Sn6
8
194
201.42
mp-1188037
-4.951131
-3.312992
3.182108
other
Zr6Br2
8
194
178.78
mp-980061
-5.103515
-4.402637
0.449875
other
Tb2As6
8
194
174.95
mp-1186740
-7.381325
-6.820592
7.109477
other
Pr6Zn2
8
194
238.37
mp-972784
-5.9596
-1.124215
4.109744
other
Si2Tc6
8
194
112.26
mp-2845
-6.686978
-3.639519
0.720284
other
Sb2Pt2
4
194
83.71
mp-567750
-7.688167
-1.56892
4.675977
other
Sc4Ru8
12
194
194.46
mp-863028
-1.314347
1.81688
-1.956486
other
Sm2I6
8
194
440.02
mp-2631
-5.339447
-6.62166
3.872773
other
Ba8Al10
18
194
584.52
mp-10678
-4.554858
-2.327959
-4.312068
other
Au2Se2
4
194
86.79
mp-754333
12.717662
9.677037
1.961136
other
Ti2O2
4
194
39.21
mp-568998
-5.428292
-2.955567
-4.207104
other
Cu6Se6
12
194
233.8
mp-12600
-7.520611
-7.07114
6.191738
other
Pr4Tl2
6
194
190.5
mp-2790577
-7.218885
-7.580222
2.044274
other
Si2Hg6
8
194
199.9
mp-1063752
-9.300411
-0.989408
4.493886
other
B2Rh2
4
194
42.78
mp-982321
-5.936469
-7.060459
4.490467
other
Yb6W2
8
194
217.59
mp-1184920
-7.461379
-1.953488
4.520209
other
Ho2Os6
8
194
135.66
mp-972549
-7.554114
-6.785059
7.184655
other
Sm2Lu6
8
194
244.32
mp-1185470
-5.641228
-7.323079
4.127067
other
Li2Yb6
8
194
291.82
mp-590
-6.352201
-2.079792
0.971434
other
Ni2As2
4
194
56.33
mp-11557
-5.473618
-1.263227
3.97801
original
Sc4Re8
12
194
207.04
mp-582060
-5.421932
-2.957101
-4.210045
other
Cu6Se6
12
194
236.63
mp-1094653
-7.024126
-10.637517
5.119891
other
Mg4Ga2
6
194
125.75
mp-974568
-5.380024
-1.229663
3.932743
other
Re6Bi2
8
194
157.26
mp-1186547
-5.378471
-7.455407
4.320337
other
Pr2Eu6
8
194
325.86
mp-636316
-6.855149
-6.76706
3.782388
other
Eu2In4
6
194
170.09
mp-1183116
-6.547831
-7.977217
5.36219
other
Ac6Zn2
8
194
295.15
mp-1188814
-7.179973
-2.151046
6.349701
other
Al12Ru4
16
194
230.8
mp-1183237
-7.355594
-9.804904
6.174217
other
Ac2Mg6
8
194
238.73
mp-1185208
-5.583138
-7.021477
3.889039
other
Li6Lu2
8
194
178.39
mp-1183750
-7.244943
-6.513568
3.002006
other
Cr2In6
8
194
179.2
mp-976593
-5.446769
-4.892054
6.614288
other
Nd6Si2
8
194
219.81
mp-1183247
-6.990882
-6.151281
5.630248
other
Ac2Sc6
8
194
234.52
mp-972748
-5.446446
-1.821033
4.703418
other
Si6W2
8
194
114.67
mp-1207221
-5.758043
-5.641539
0.80199
other
In4Sb2
6
194
168.51
mp-974336
11.804059
8.886885
1.626531
other
Ho2O2
4
194
65.82
mp-1186078
-4.984191
-7.359357
3.662978
other
Na6Pm2
8
194
277.1
mp-1102210
-5.469661
-1.262694
4.046433
other
Dy4Re8
12
194
222.79
mp-30335
-6.513648
-2.469864
6.279427
other
Al46V8
54
194
849.65
mp-1187952
-8.218982
-6.624187
2.179498
other
Zn2Ag6
8
194
131.72
mp-1103426
-9.383354
-4.905448
4.273951
other
Yb4Cu8
12
194
192.31
mp-21294
-7.741603
-6.620621
5.932379
other
Y4In2
6
194
170.61
mp-1187167
-5.422541
-7.508577
4.430158
other
Sm2Eu6
8
194
320.53
mp-1187050
-6.482603
-6.029582
1.897577
other
Sn6As2
8
194
206.34
mp-1187235
-6.734917
-7.326499
6.991192
other
Sr2Pm6
8
194
302.47
mp-10125
-6.790415
-3.248322
0.904692
other
Sb2Ir2
4
194
80.04
mp-1634
-6.544878
1.414337
-3.98192
other
Mo2Se4
6
194
129.45
mp-23759
3.395892
-0.650575
-2.371847
other
Sr2H4
6
194
83.51
mp-979933
-7.175628
-6.439692
6.709407
other
Tm6Si2
8
194
189.93
mp-1187815
-8.705132
-6.273007
4.410798
other
Yb2Zn6
8
194
155.56
mp-1025406
-3.378663
-3.888008
0.704929
other
Li2P6
8
194
124.82
mp-1935
-6.163644
-10.956508
5.753626
other
Ba4Mg8
12
194
404.63
mp-1389
-6.415353
-4.215387
4.722114
other
Pu6Al18
24
194
448.52
mp-1188061
-5.707623
-3.815252
3.578171
other
Zr6Sn2
8
194
178.66
mp-1185259
-3.921649
-7.275816
2.117124
other
K6Eu2
8
194
542.22
mp-1203035
-9.426878
-6.036298
4.145026
other
Lu4Zn34
38
194
603.84
mp-1188050
-5.571246
-5.083256
3.12204
other
Zn2Ge6
8
194
150.73
mp-2294
-7.546397
-2.839554
5.581606
other
Al6Ir2
8
194
122.24
mp-569640
-5.778154
-3.240145
2.199835
other
Ti2Sb2
4
194
89.43
mp-1102030
-6.024471
-1.498343
4.292455
other
Y4Tc8
12
194
220.02
mp-861889
-7.793911
-5.041718
5.295053
other
Sc6Tc2
8
194
160.33
mp-1184919
-4.034726
-7.165676
1.941293
other
K6Na2
8
194
524.48
mp-974437
-5.06755
-0.640587
3.356314
other
Re4C2
6
194
69.66
mp-1187834
-7.92628
-6.542816
6.203609
other
Tm6In2
8
194
217.31
mp-972147
-8.464748
-5.574426
4.707726
other
U2Zn6
8
194
151.93
mp-1014
-7.192585
-1.229338
4.874076
other
Zr4Mn8
12
194
206.13
mp-1185460
-7.00736
-6.911014
7.019896
other
La2Gd6
8
194
283.28
mp-861487
-7.966135
-8.114284
3.078534
other
Pr2Hg6
8
194
202.13
mp-1094532
-6.894011
-10.115589
3.288049
other
Mg4Sb2
6
194
147.38
mp-1775
-8.22809
-5.835725
2.389168
original
Sn2Au2
4
194
92.14