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-1374684
6.062483
11.366358
-1.580975
other
Mg6Ni4O14
24
36
226.09
mp-9781
-3.499591
-1.499394
-5.344474
other
K6Sb2S8
16
36
472.47
mp-1186277
9.438922
9.205488
2.509461
other
Nd6Fe2O12
20
36
298.5
mp-20257
-7.14293
-4.640149
1.089927
other
As2Pd6Pb4
12
36
241.98
mp-1048490
12.492625
11.18469
-1.775375
other
Mg2Mo6O16
24
36
327.33
mp-756401
11.603317
11.338011
1.792518
other
Ta2As2O8
12
36
163.51
mp-1180667
9.090124
9.210077
2.326346
other
La6Fe2O12
20
36
315.68
mp-3998
10.373038
10.550385
3.374543
other
La2Ta2O8
12
36
164.45
mp-1245781
1.959584
2.248736
1.147648
other
Mg4Bi2N6
12
36
179.19
mp-626620
10.639819
4.480769
-4.006269
other
Rb2H2O2
6
36
93.35
mp-1345267
10.506096
9.836725
-0.035782
other
Zn6Sb4O14
24
36
292.83
mp-28503
12.604211
7.212146
0.353141
other
Al20Si4O38
62
36
689.29
mp-554451
9.550025
1.74237
1.725685
other
Ba2Fe2F8
12
36
182.01
mp-1245423
1.851354
2.358963
1.96667
other
Al4Fe2N6
12
36
133.04
mp-1245903
1.837754
2.333128
1.826913
other
Mn2Ga4N6
12
36
142.06
mp-1324016
5.543772
10.952743
-0.652225
other
Ca6Fe4O14
24
36
271.4
mp-1184814
7.412361
9.029995
-0.002959
other
Eu6Ga2O12
20
36
293.27
mp-1188579
7.883975
0.602838
-4.010101
other
B2H12N2
16
36
135.42
mp-31112
10.338639
8.500693
2.75864
other
Tb6Ga2O12
20
36
268.34
mp-567831
-6.345313
-5.33804
4.062138
other
Yb4Ga8Ge12
24
36
534.19
mp-625150
12.214144
6.105745
-0.136854
other
Sc2H2O4
8
36
84.84
mp-1077811
-4.629222
-1.479477
-5.652608
other
Cu2Ag2S2
6
36
110.98
mp-1189430
7.714715
5.273354
-5.2634
other
Tl8C2O10
20
36
529.24
mp-1192679
10.021299
7.290448
-2.205552
other
Be8Si4O18
30
36
322.46
mp-1245985
2.705706
2.546555
1.716384
other
Si4Te2N4
10
36
172.15
mp-756098
-1.253558
1.941162
-1.647186
other
Ba2Sr2I8
12
36
622.39
mp-1078233
8.007616
0.576818
-4.43083
other
H6C2Cl2
10
36
127.36
mp-1374431
10.17441
9.62242
0.642073
other
Mg6Sn4O14
24
36
276.3
mp-31110
10.10927
8.417557
2.595909
other
Sm6Ga2O12
20
36
285.65
mp-625136
10.2436
5.574696
-2.977369
other
Cs2H2O2
6
36
110.8
mp-1189831
9.30597
9.30824
2.490171
other
Gd6Fe2O12
20
36
277.58
mp-505105
10.332976
3.798763
-4.253823
other
Cu2H4O4
10
36
87.02
mp-754659
11.441261
9.450094
4.059616
other
Zr6N4O6
16
36
236.67
mp-769010
6.216935
9.035158
-1.157696
other
Li12Bi10O28
50
36
714.6
mp-1189051
-2.744929
-2.554382
-5.892084
other
Ho6Ga2S12
20
36
449.94
mp-29186
-3.415052
-3.970192
0.627341
other
La8Si16P48
72
36
1,512.42
mp-27220
10.000168
9.12725
-0.272721
other
Tl20Sb4O20
44
36
889.4
mp-1246895
2.352725
2.217545
1.820619
other
Co2Si4N6
12
36
120.07
mp-1189471
-7.834168
-4.204384
3.113466
other
Tb4Sn10Rh6
20
36
428.8
mp-1245504
0.294921
2.492455
2.001238
other
Cr2Fe4N6
12
36
114.41
mp-30864
-7.856155
-4.167289
3.211116
other
Y4Sn10Rh6
20
36
421.47
mp-28369
3.129645
-0.151781
-2.758539
other
Ge2H6Cl2
10
36
169.94
mp-28144
11.328986
7.549132
-1.574746
other
Si2Bi4O10
16
36
221.63
mp-568386
-5.815243
-2.9237
-2.839736
other
Ag40Te16Br12
68
36
1,740.53
mp-1101709
8.152556
13.269514
-1.313112
other
Na2Fe24O38
64
36
718.92
mp-1377823
7.65867
11.846636
1.185546
other
Ca6Cr4O14
24
36
282.64
mp-1217702
-2.681715
-2.681136
-5.777441
other
Tb4Mg2S8
14
36
304.84
mp-1209153
3.440279
-0.623127
-2.60724
other
Rb2Al2H8
12
36
186.17
mp-1246844
0.731838
2.322443
1.792414
other
Li2Os4N6
12
36
141.76
mp-849547
11.485386
12.82959
0.193172
other
Li10Cr8O16
34
36
312.6
mp-1378139
7.710785
15.184614
-0.650676
other
Mn4Zn6O14
24
36
242
mp-1029403
2.514799
2.297723
1.430919
other
Rb2Ge4N6
12
36
166.58
mp-1029442
1.488505
2.067483
2.106599
other
Mg4Ta2N6
12
36
158.63
mp-1245469
1.140518
2.552688
1.763216
other
V2Cd4N6
12
36
174.97
mp-754718
7.149974
10.15709
-0.436954
other
Na2Cu2O4
8
36
115.35
mp-756156
10.042526
8.744172
1.152426
other
Rb4Zr2O6
12
36
234.88
mp-770996
9.339301
8.452518
0.378968
other
Cs8Ce4O12
24
36
673.44
mp-1247373
2.651444
2.329352
1.806995
other
Mn4Si8N14
26
36
279.88
mp-1029418
2.835841
2.244596
1.575181
other
K2Si4N6
12
36
134.4
mp-1202498
10.971681
7.536632
-1.067739
other
Ba18Ge46O114
178
36
2,380.09
mp-567401
-6.957746
-4.457099
5.34277
other
Tb8Zn10Ge12
30
36
626.15
mp-1106269
-7.866085
-4.172258
3.192363
other
Dy4Sn10Rh6
20
36
428.22
mp-1188545
6.966487
7.380157
-3.713077
other
Na2Sb2O14
18
36
253.89
mp-1079330
12.067435
12.72205
-2.074286
other
Mg2V2O6
10
36
145.5
mp-541868
1.941525
2.760942
-4.537399
other
Te6Mo2Cl32
40
36
1,350.48
mp-755663
10.974734
11.151238
2.581379
other
Ta4Pb4O14
22
36
312.04
mp-684013
-8.144595
-5.157376
3.8094
other
Ba4In26Ir8
38
36
931.93
mp-1196744
6.482589
5.920794
-4.34291
other
U2N4O28
34
36
838.02
mp-16190
-6.961234
-4.70343
5.186174
other
Lu8Zn10Ge12
30
36
585.55
mp-1080213
8.35164
14.604816
-1.030535
other
Ca2Mn8O16
26
36
315.78
mp-1214092
-2.607038
-2.75964
-5.670593
other
Ca2Tm4S8
14
36
324.13
mp-1210789
-3.607653
-1.53925
-5.946764
other
Li4Si2S6
12
36
233.89
mp-1029422
1.482698
2.088686
2.058054
other
Nb2Zn4N6
12
36
152.47
mp-1245915
2.702343
2.421459
1.860014
other
Si4Se2N4
10
36
149.89
mp-556101
9.306955
0.763266
0.881371
other
Ba2Co2F8
12
36
171.93
mp-1238269
7.679841
5.297027
-5.249317
other
Tl8C2O10
20
36
569.8
mp-1193906
8.380263
7.992153
-2.425552
other
Mg6Si4O18
28
36
380.98
mp-1096802
-4.740063
-2.679389
-4.035487
other
Ag4Ge2Se6
12
36
309.16
mp-867561
9.565638
0.534472
-0.243471
other
Li4Cu4F14
22
36
265.66
mp-559330
13.813249
4.127531
-2.280553
other
Sr8B28O50
86
36
929.99
mp-1247292
1.90669
2.505731
1.6301
other
Ga4Ni2N6
12
36
136.64
mp-1326389
10.778387
11.866506
2.12828
other
Mg6Ti4O14
24
36
249.41
mp-755110
7.03706
9.865393
-1.788843
other
Cs4Mn2O8
14
36
321.51
mp-1246567
2.215953
2.120772
1.625223
other
In2Ga4N6
12
36
155.73
mp-1102924
3.420388
-0.687572
-2.444488
other
Na2Al2H8
12
36
120.99
mp-1029408
1.390312
2.061222
2.064861
other
Mg4Nb2N6
12
36
162.47
mp-4004
-3.841907
-1.342481
-5.530904
other
Ag10Sb2S8
20
36
444.79
mp-28264
10.806387
3.794691
-3.836434
other
Rb2H6O4
12
36
136.32
mp-756869
7.232759
8.490931
-0.5379
other
K4Tb2O6
12
36
240.01
mp-1200041
12.809372
12.775938
-0.958208
other
Sr2V12O22
36
36
404.54
mp-1208631
9.133114
0.624189
0.576868
other
Sr2Ni2F8
12
36
164.97
mp-1377713
10.103753
9.674291
0.047503
other
Zn6Sn4O14
24
36
278.84
mp-3080
11.315581
7.738215
0.786728
other
Ca10Ga12O28
50
36
702.81
mp-685230
8.420752
13.080413
-1.466126
other
Fe42H2O64
108
36
1,098.81
mp-780868
5.133747
11.319705
-2.286568
other
Fe8O14F2
24
36
256.71
mp-1220040
8.34087
1.568436
0.964459
other
Pb6I2F10
18
36
370.09
mp-9900
-4.073721
-1.431155
-5.843613
other
Ag4Ge2S6
12
36
267.88
mp-752676
10.342797
9.487473
0.266869
other
Ti2Bi4O10
16
36
244.07
mp-19885
-4.072077
-1.278468
-5.839158
other
In2Ga2S6
10
36
234.96
mp-3281
12.589062
6.505409
-0.03815
other
Al10B2O18
30
36
326.84