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-558301
15.59654
5.543479
0.252969
other
Si16O32
48
12
982.79
mp-570629
-7.609313
-4.434662
5.344834
other
Ce8Ru6
14
12
306.46
mp-25207
9.614919
12.154546
-4.32745
other
V6O15
21
12
261.02
mp-1039350
-5.946277
-9.766268
5.184644
other
Ca2Mg2
4
12
126.07
mp-1080834
-4.658522
-5.348876
0.329425
other
Na5As4
9
12
214.25
mp-1073315
-2.829454
-5.254511
6.94249
other
Mg4Si8
12
12
207.44
mp-1094221
-6.912281
-10.410665
4.206752
other
Mg4Sn2
6
12
142.6
mp-484
-5.656365
-3.432956
-1.673304
other
Te6As4
10
12
306.52
mp-676024
-5.506085
-5.734598
0.53682
other
Li27Sb10
37
12
689.56
mp-1094408
-7.870538
-9.51145
6.966321
other
Y2Mg4
6
12
159.81
mp-1067235
-3.896458
-5.659433
5.1283
other
Ba2Si2
4
12
128.17
mp-9305
-6.170013
-1.853194
1.269324
other
Mn8As6
14
12
209.86
mp-1094505
-8.17478
-9.415575
4.447004
other
Mg2Zn2
4
12
70.67
mp-1039263
-6.283122
-5.751834
0.516072
other
Mg2Bi4
6
12
176.94
mp-23307
1.841758
2.58189
-4.449973
other
Nb6Cl30
36
12
1,035.37
mp-1094504
-8.506394
-7.354405
3.668601
other
Mg2Zn4
6
12
104.74
mp-775935
10.850986
10.068331
3.66976
other
Zr3O6
9
12
134.25
mp-1096966
0.693248
3.078634
1.537382
other
Cr28N56
84
12
1,970.01
mp-1194828
15.008709
5.81158
0.086608
other
Si34O74
108
12
2,018.09
mp-2780
-5.672788
-1.831309
-2.783869
other
Fe3Se4
7
12
114.62
mp-1094527
-5.714392
-5.546932
0.415073
other
Mg2Sb4
6
12
161.9
mp-1063755
-4.61129
-3.137322
-3.619814
other
Bi2Se2
4
12
315.31
mp-2457
9.994323
8.348575
3.290553
other
Tb6O9
15
12
209.1
mp-580931
-9.258786
-5.988154
3.417478
other
Mg4Zn20
24
12
392.28
mp-1094452
-7.704274
-8.547005
6.830554
other
Y2Mg2
4
12
112.87
mp-1095567
-7.529462
-1.145245
5.546407
other
Er4Mn8
12
12
191.13
mp-1101178
0.659384
2.76612
1.829955
other
W4N8
12
12
158.3
mp-1185973
-6.765541
-9.316176
3.359112
other
Mg2Sn2
4
12
95.97
mp-1094601
-5.754979
-7.128137
3.526507
other
Li4Mg2
6
12
122.39
mp-1202900
-7.076667
-1.577171
6.364346
other
Al39Fe12
51
12
715.97
mp-1074149
-2.427717
-5.51116
7.197698
other
Mg4Si7
11
12
198.71
mp-1045694
7.133057
10.98183
-1.093371
other
Cu9O13
22
12
232.13
mp-22853
1.841483
2.95544
-4.516144
other
Mo2Cl6
8
12
209.21
mp-510438
-8.034686
-3.939733
2.941669
other
In5Pt5
10
12
189.12
mp-1224313
-9.106241
-4.872136
3.623058
other
In9Cu11
20
12
344.14
mp-31485
-8.11302
-4.210773
1.881432
other
Ga5Pd13
18
12
264.59
mp-545771
7.6736
9.966626
-3.941309
other
Cr3O8
11
12
145.59
mp-1087550
-4.27503
-4.977927
-3.420074
other
Ce12Se24
36
12
3,417.94
mp-1101099
-3.93122
-0.075695
-4.276507
other
Ti4S6
10
12
174.7
mp-1094624
-6.312678
-6.018989
3.617203
other
Mg2Ga4
6
12
116.55
mp-1080855
-4.26822
-4.98228
-3.421067
other
Ce16Se32
48
12
4,636.6
mp-776603
7.973591
13.939142
-1.761788
other
Mn15O32
47
12
557.7
mp-1120786
-6.67558
-5.355497
0.615473
other
V2Bi4
6
12
145.42
mp-1064272
3.474513
3.128825
-3.389416
other
Na1N3
4
12
87.34
mp-1173647
0.536655
1.390155
2.888294
other
Nb20N17
37
12
432.66
mp-1185919
-6.105379
-7.288849
2.587173
other
Mg2Pb2
4
12
103
mp-1228799
-3.680797
-4.026332
0.203385
other
As2P2
4
12
92.27
mp-1073810
-2.249319
-6.685153
7.598346
other
Mg6Si6
12
12
235.11
mp-2460
10.237573
8.352115
3.259893
other
Er6O9
15
12
197.5
mp-1104558
-6.36556
-5.631715
0.348186
other
Bi10Mo3
13
12
360.85
mp-636946
-6.771074
-0.467787
3.588776
other
Fe12Ge10
22
12
283.71
mp-1224390
-8.716025
-5.835176
2.172894
other
Hf1Au9
10
12
177.6
mp-1073789
-2.273362
-6.873619
7.673334
other
Mg6Si6
12
12
232.84
mp-15681
-6.091024
-1.958199
1.237256
other
Cr2As4
6
12
90.69
mp-1025388
1.655373
2.800097
-4.834716
other
Yb2Cl6
8
12
226.21
mp-27513
0.654034
1.149197
-3.70201
other
Sc7Cl10
17
12
417.87
mp-1094640
-6.252426
-5.894223
3.667968
other
Mg2Ga4
6
12
111.03
mp-27666
1.734684
2.607192
-4.556489
other
Ir2Cl6
8
12
185.93
mp-556750
6.511387
13.277138
-2.315872
other
Co1O2
3
12
78.48
mp-555574
10.057615
8.333421
3.327344
other
Dy6O9
15
12
205.17
mp-1073115
-2.354469
-5.544917
7.320108
other
Mg4Si6
10
12
177.2
mp-1094456
-8.52586
-7.220536
3.64839
other
Mg2Zn4
6
12
103.02
mp-11108
-3.60369
-4.172002
0.625871
other
Sr2P6
8
12
178.16
mp-570325
-4.366561
-1.989979
-4.296929
other
Au4Se4
8
12
197.37
mp-731864
13.365008
6.182586
-0.720493
other
Si12O26
38
12
945.35
mp-1205504
12.537655
10.192319
0.589413
other
V7O4
11
12
141.27
mp-570034
-3.276908
1.603704
2.852046
other
Er4B16
20
127
295.24
mp-12544
-8.783062
-5.989705
5.506068
other
Ho6Pd4
10
127
233.73
mp-1018852
0.680423
2.088701
2.138848
other
Os2N4
6
127
52.29
mp-11288
-6.494479
-7.483337
3.305545
other
Ca6Hg4
10
127
303.27
mp-607111
-8.032223
-2.886274
2.71622
other
Al4Pt12
16
127
236.14
mp-1079182
-8.052841
-2.883536
2.657865
other
Al2Pt6
8
127
120.74
mp-1080193
0.288514
2.158603
2.442772
other
Mo2N4
6
127
52.32
mp-1202057
-6.727926
-6.553885
3.402276
other
Yb72Sn46
118
127
3,573.31
mp-30684
-6.195362
-3.47931
3.992545
other
Zr6Ga4
10
127
199.22
mp-1080493
-8.690856
-6.465914
5.068339
other
Y6Au4
10
127
252.3
mp-568143
-3.66879
1.693053
2.984694
original
Tm4B16
20
127
197.06
mp-623066
-8.051273
-2.938641
2.649694
other
Ga4Pt12
16
127
245.18
mp-22077
-8.197856
-6.173511
6.111367
other
Gd6Pd4
10
127
245.04
mp-12543
-8.66124
-6.118662
5.673947
other
Dy6Pd4
10
127
236.56
mp-20405
-7.17214
-2.103967
4.830812
other
V4Ga10
14
127
210.68
mp-1189298
-3.542325
1.743519
2.994145
other
Yb4B16
20
127
206.71
mp-976273
-6.150267
-3.47534
3.992219
other
Hf6Ge4
10
127
186.59
mp-621667
-6.883819
-7.037561
3.606115
other
Eu6Ag4
10
127
309.8
mp-1181673
-8.05902
-3.000761
2.646199
other
Ga4Pt12
16
127
253.01
mp-1103522
-6.811664
-1.508957
4.395539
other
Ga10W4
14
127
230.45
mp-1632
-3.706118
1.731772
2.975972
other
Nd4B16
20
127
215.95
mp-2091
-5.367465
0.176516
3.098371
other
V6B4
10
127
98.07
mp-1104441
4.436151
3.075486
-3.269171
other
Cs4N8
12
127
317.15
mp-759790
-7.499524
-7.455667
1.874429
other
Ag4Hg10
14
127
325.51
mp-753295
10.72554
-0.095789
0.261505
other
Mn2F6
8
127
109.42
mp-1105078
-6.660324
-4.53176
4.392766
other
Hf6In8
14
127
333.77
mp-558203
15.657578
5.585113
0.322603
other
Si32O64
96
127
2,487.66
mp-547271
10.480804
11.010607
-2.130609
other
Re2O6
8
127
106.54
mp-12569
-3.664892
1.753499
2.947148
other
Pr4B16
20
127
219.34
mp-1079269
-7.325885
-3.373641
3.017116
other
Si2Pt6
8
127
120.79
mp-30720
-7.403136
-7.233699
2.069755
other
Mn4Hg10
14
127
302.01
mp-1079007
-5.122841
-4.505202
5.756368
other
Ce6Si4
10
127
258.9
mp-12545
-8.778121
-5.899631
5.063776
other
Er6Pd4
10
127
230.29
mp-1019055
0.387349
1.9129
2.272985
other
Re2N4
6
127
51.59