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-1210778
-4.66432
-4.515511
6.093898
other
Li4Sm4Si6
14
63
269.58
mp-1047644
12.803344
10.043046
0.411933
other
Mg2W4O8
14
63
170.31
mp-15120
-5.250114
-2.381176
-3.450906
other
Rb2Fe4Se6
12
63
320.64
mp-31353
8.451112
10.245225
1.946429
other
La6Os2O14
22
63
321.1
mp-753052
15.129168
12.301465
-0.898876
other
V4O4F6
14
63
186.32
mp-13326
-4.103358
-4.358192
-3.771118
other
Pr2Lu2Se6
10
63
262.73
mp-29232
8.606956
1.528409
1.179527
other
Zr2Pb6F20
28
63
402.99
mp-1206482
-7.455537
-4.038397
5.514287
other
Ce2Al4Ni2
8
63
145.67
mp-1208899
-7.740151
-3.189045
5.669376
other
Sm4Al18Ir6
28
63
471.71
mp-1188958
7.537275
5.96136
-3.215205
other
Na4Te2O10
16
63
276.88
mp-1025393
-5.042779
-3.671491
5.684448
other
Tm2Si4Ni2
8
63
125.13
mp-755646
8.658852
11.114095
-0.195703
other
Li2Cu2O2
6
63
76.78
mp-3284
-5.290457
-3.856794
5.190262
other
Ce2Si4Pt2
8
63
151.31
mp-754377
10.112076
8.940215
0.437368
other
K8Ti2O8
18
63
354.94
mp-1212406
-8.290849
-3.443862
5.028676
other
Ho4Ga18Rh6
28
63
457.56
mp-770412
8.275314
13.509943
-0.224729
other
Sc2Mn4O10
16
63
192.75
mp-1247213
0.58758
2.580457
1.715546
other
Co2Ag2N2
6
63
73.22
mp-998433
-0.2422
1.083498
-4.429202
other
Cs2Sr2Br6
10
63
397.18
mp-1206025
-4.93354
-4.288934
6.461929
other
Ho2Al2Si2
6
63
115.16
mp-1047404
11.048726
9.424147
0.2311
other
Zn2Sn4O8
14
63
188.64
mp-29118
-7.865646
-3.187828
4.844041
other
Ho6Ge6Ir4
16
63
316.13
mp-757376
12.523627
7.531902
0.606321
other
K2Al22O34
58
63
636.63
mp-31364
-7.222883
-2.232902
6.425759
other
Ce2Al20Ru4
26
63
422.53
mp-1194536
-7.728573
0.025171
2.601105
other
Ga2Ni18B16
36
63
310.43
mp-1246784
4.620886
2.334833
-3.16285
other
Ir2C12N18
32
63
564.84
mp-1043269
6.641016
11.030689
-1.565453
other
Mg2Ni4O10
16
63
224.03
mp-1245977
4.677721
2.286223
-3.132042
other
Mn2C12N18
32
63
540.51
mp-28237
-0.31668
1.579611
-4.632429
other
Rb2Li2Br4
8
63
252.79
mp-1043075
12.856687
10.045047
0.341544
other
Zn2W8O12
22
63
293.12
mp-697047
3.082335
-0.731421
-2.074914
other
Li6H8Rh2
16
63
145.22
mp-14815
-5.742166
-2.376808
-1.469323
other
Ta2Te10Pt2
14
63
413.03
mp-569911
-5.810876
0.169245
3.252468
other
Cr8B8Ir4
20
63
196.35
mp-548658
13.014543
5.963012
-6.288695
other
Rb2P2O6
10
63
197.62
mp-630851
-5.571458
-6.992205
2.134662
other
Cs6Na2Pb8
16
63
727.65
mp-1047711
12.742673
10.084996
0.412841
other
Ca2W4O8
14
63
182.62
mp-1188157
-6.922408
-4.779426
5.669642
other
Li4Tm6Ge6
16
63
323.63
mp-754429
9.900219
8.417049
3.194164
other
Ca2Tm4O8
14
63
193.44
mp-13133
11.053367
10.620204
2.310578
other
K4Ti2O6
12
63
190.45
mp-7472
7.971282
9.969501
-1.281149
other
Rb2Au2O4
8
63
173.27
mp-1079988
-6.886446
-5.046133
6.201926
other
La4Al4Ge2
10
63
258.22
mp-1077722
-8.210951
-4.320209
3.848666
other
Sc2Zn2Pt2
6
63
102.99
mp-17981
7.151148
9.903062
0.079327
other
Eu6Ir2O14
22
63
297.77
mp-1176636
10.529914
0.909055
1.647354
other
Li4Mn4F12
20
63
253.78
mp-1047358
6.892977
10.896893
-0.705879
other
Ca2Cu4O8
14
63
146.88
mp-1208073
-8.27075
-3.330019
5.104444
other
Tm4Ga18Ir6
28
63
455.91
mp-1080588
-7.577269
-4.234428
5.080925
other
La2Cu2Ge4
8
63
160.61
mp-7642
-4.614273
-5.769505
0.445817
other
K4Ag2As2
8
63
238.12
mp-16744
-6.90053
-1.8668
6.541983
other
Y2Al20Fe4
26
63
396.67
mp-1206558
-4.621547
-5.449986
0.224711
other
Cs4As4Pt2
10
63
346.07
mp-1180177
2.557822
2.969405
-4.111403
other
Mn4N4Cl12
20
63
419.03
mp-1211269
-7.156563
-2.313351
6.427931
other
La2Al20Ru4
26
63
429.19
mp-1212388
-7.158602
-2.257154
6.507966
other
Ho2Al20Ru4
26
63
415.91
mp-1079936
-7.833234
-2.743134
5.299992
other
Tb2Co2Ge4
8
63
140.12
mp-1190188
-7.972797
-3.028109
4.395223
other
Ba4Ge10Ir8
22
63
462.52
mp-1208100
-7.455568
-1.297005
5.836867
other
Tm6Fe4Ge6
16
63
293.16
mp-24992
10.013686
6.774746
-3.828514
other
Fe2H2O4
8
63
80.7
mp-29804
-5.352261
-0.03012
3.211321
other
Cr6Ge2C2
10
63
112.87
mp-560374
-2.868171
-2.5367
-5.524084
other
Yb2Nd2S6
10
63
244.84
mp-1196198
-6.558353
-6.726792
2.979984
other
Li12Eu10Sn18
40
63
1,067.6
mp-27769
-5.282234
-0.590027
2.569455
other
V6As2C2
10
63
120.28
mp-22545
-8.176312
-2.323133
5.203052
other
Eu2Ga6Co4
12
63
195.93
mp-1080658
-7.127533
-5.978493
3.776854
other
Li2Er2Sn4
8
63
185.73
mp-1205870
-2.691525
-2.75659
-5.619696
other
Nd2Lu2S6
10
63
238.46
mp-11784
-4.362484
-4.090321
-3.803469
other
La2Yb2Se6
10
63
284.71
mp-1207988
-7.664964
-3.091319
5.690974
other
Tm4Al18Ir6
28
63
456.41
mp-981511
10.024968
9.252362
2.580465
other
Y6Sb2O14
22
63
290.41
mp-1078497
-8.155919
-3.969853
4.77105
other
Yb2Ga4Ni2
8
63
135.99
mp-642428
-7.254604
-3.471217
5.91626
other
Y6Al38Ni10
54
63
899.79
mp-768478
8.246142
11.11076
-3.097785
other
Cr2Fe2O8
12
63
148.63
mp-1193628
-6.916467
-0.346861
4.255041
other
Ho2Fe12Ge12
26
63
367.37
mp-1106177
-7.919946
-2.067461
2.648253
other
Ga6Ni10Sn4
20
63
293.87
mp-9010
-4.0906
-1.704023
-5.227426
other
Rb2Au2S2
6
63
181.94
mp-1193957
-7.162577
-2.298255
6.469842
other
Pr2Al20Ru4
26
63
426.04
mp-1212854
-8.062121
-4.291694
4.720432
other
Er4Al18Pd6
28
63
479.87
mp-31417
10.266341
9.508349
3.255879
other
Nd6Ta2O14
22
63
319.62
mp-1043287
12.202383
12.487229
-2.392485
other
V4Zn2O10
16
63
214.94
mp-1206145
-7.241673
-1.501868
5.586016
other
Sm2Fe2Ge4
8
63
150.96
mp-1070916
-5.317575
0.069601
3.280341
other
Al2B2W2
6
63
69.26
mp-972380
-3.987643
1.631263
3.053638
other
Tb6Re2B14
22
63
264.16
mp-756580
9.812007
8.394728
3.28552
other
Sr2Lu4O8
14
63
199.89
mp-1025424
-5.266373
-2.800611
5.856714
other
Tm2Mn2Si4
8
63
136.46
mp-31101
10.628454
10.144169
1.768817
other
Gd6Re2O14
22
63
301.96
mp-1189819
-7.792433
-2.923248
5.438278
other
Dy6Ge6Ru4
16
63
318.83
mp-1104380
-7.876927
-9.806107
6.625044
other
Nd2Mg10Ni2
14
63
309.02
mp-1105102
-7.869253
-4.424725
6.334943
other
Sm6Ga2Co6
14
63
276.17
mp-752721
9.549633
0.531455
-0.121465
other
Li2Cu4F10
16
63
200.1
mp-1020010
1.81277
2.102194
1.404435
other
Li4Ca6N12
22
63
278.98
mp-1211312
-7.670134
-3.302946
5.620257
other
La4Al18Rh6
28
63
489.36
mp-1206082
-7.298584
-4.717979
4.912541
other
Ce2Cu2Ge4
8
63
159.28
mp-1079995
-2.848029
-2.545507
-5.537974
other
Yb2Pr2S6
10
63
247.49
mp-1106108
-7.572475
-1.505027
5.727892
other
Er6Fe4Ge6
16
63
299.51
mp-29156
1.4322
1.885049
2.364933
other
Na2Ta6N10
18
63
216.03
mp-13512
-7.440087
-3.514982
4.501947
other
Ca2Ni2Ge4
8
63
145.97
mp-20343
7.5048
9.943913
-1.428233
other
Na2Au2O4
8
63
128.07
mp-1194620
-6.946632
-0.303844
4.255081
other
Y2Fe12Ge12
26
63
366.23
mp-1102481
-8.330284
-3.184777
4.092846
other
Eu2Ga6Ni4
12
63
197.64
mp-1025129
-7.113079
-5.502308
4.293602
other
Tm2Sn2Ge2
6
63
137.01
mp-1213071
-8.033063
-4.337214
4.767575
other
Dy4Al18Pd6
28
63
483.79
mp-1207381
-5.708884
-4.160259
4.871919
other
Zr2Si6Pd6
14
63
216.07
mp-12781
-7.588999
-3.374692
5.373517
other
Sc2Al4Ni2
8
63
126.19