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-977242
-7.34694
-7.629373
1.784629
other
Hg6Sb2
8
194
210.08
mp-1184906
-3.839135
-7.227786
2.425499
other
K6Er2
8
194
451.91
mp-867792
-7.528465
-1.530385
3.777553
other
Re2Ir6
8
194
114.8
mp-1183099
-6.120908
-7.934438
5.774276
other
Ac6Tb2
8
194
336.63
mp-1187682
-6.966228
-6.67337
7.059224
other
Tm6Th2
8
194
249.94
mp-1102233
-6.132483
-1.461247
4.373902
original
Tb4Tc8
12
194
220.04
mp-1101953
-7.699369
-2.070441
4.636123
other
Ho4Os8
12
194
213.03
mp-864809
-8.320385
-6.784833
4.749283
other
Ac2Zn6
8
194
183.92
mp-1187987
-5.831738
-7.454269
4.799484
other
Yb6Tm2
8
194
294.52
mp-1187997
-6.144397
-7.272259
4.456793
other
Yb6Re2
8
194
200.28
mp-864931
-8.486377
-0.340315
4.512396
other
Mg4Co8
12
194
157.31
mp-1102143
-5.478586
-1.247631
4.102736
other
Er4Re8
12
194
219.82
mp-581655
-7.898789
-7.211835
3.765705
other
Pr26Cd116
142
194
3,492.13
mp-1183114
-9.379218
-4.793765
4.206346
other
Ac2Cu6
8
194
161.8
mp-865685
-5.604643
-7.002723
3.834471
other
Eu6P2
8
194
223.14
mp-30786
-7.332187
-1.198542
5.305497
other
Tm4Mn8
12
194
237.61
mp-569630
-7.643022
-2.064226
4.621361
other
Nd4Os8
12
194
225.45
mp-976797
-6.829247
-7.208341
7.111456
other
Pm6Sc2
8
194
260.54
mp-1201145
-6.165543
-4.169254
6.011039
other
Er4Al34
38
194
681.03
mp-1185283
-5.61083
-7.023156
3.902815
other
Li6Tm2
8
194
182.08
mp-863682
-7.773871
-4.805154
5.526597
other
Pm2Ga6
8
194
160.76
mp-1186949
-7.883998
-3.199935
2.37747
other
Sb2Pt6
8
194
138.35
mp-1039581
-6.557654
-6.995751
5.262827
other
Ce2Mg2
4
194
173.59
mp-862732
-9.135681
-6.494372
4.891366
other
Pm2Zn6
8
194
155.6
mp-1187022
-7.171331
-6.912199
7.289669
other
Sm2Ho6
8
194
260.99
mp-22211
-6.286187
-1.248451
3.803012
other
V6Sn2
8
194
121.98
mp-1184530
-6.967865
-6.64084
6.629151
other
Gd6Si2
8
194
204.07
mp-1183259
-7.115503
-6.997231
7.228776
other
Ac2Nd6
8
194
306.84
mp-1184184
-7.867133
-6.385114
5.816397
other
Er6In2
8
194
220.05
mp-867297
-7.324239
-6.577221
4.3566
other
Ac2In6
8
194
233.85
mp-973689
-7.405511
-6.803895
7.108567
other
Ho6Lu2
8
194
246.25
mp-1187358
-7.048308
-6.827185
7.255767
other
Tb2Nd6
8
194
280.92
mp-1189303
-4.279625
0.821047
2.991893
other
Ta4B16
20
194
166
mp-1187221
-6.922149
-6.789542
6.931785
other
Sr2Nd6
8
194
309.22
mp-1183231
-7.487952
-1.221521
4.322845
other
B2Ru6
8
194
99.65
mp-1102236
-7.763808
0.049441
5.817501
other
Tm4Fe8
12
194
185.86
mp-1183589
8.447086
1.276777
-0.453871
other
Ca2F6
8
194
95.34
mp-794
-6.557115
-2.584307
-1.593996
other
Cr2Te2
4
194
93.8
mp-1186281
-7.098557
-6.899618
7.326864
other
Nd6Sm2
8
194
284.9
mp-1041980
5.877022
12.104568
-1.598441
other
Ni2O4
6
194
77.52
mp-1192425
-8.757258
-0.376198
4.874972
other
Y6Co18
24
194
349.61
mp-1187093
-7.942282
-2.089699
3.975674
other
Sn2Ir6
8
194
127.06
mp-1203310
-9.221774
-1.189332
2.743935
other
Sm4Ni34
38
194
480.72
mp-8644
8.354738
1.247506
1.72551
other
Ba2F4
6
194
106.87
mp-865910
-7.948417
-6.653037
2.071163
other
Cd2Ag6
8
194
143.99
mp-11209
-4.559866
-4.820751
0.36935
other
Al2As2
4
194
74.38
mp-1018851
0.693522
2.124463
2.087521
other
Os2N4
6
194
59.27
mp-862289
-7.626086
-7.87735
2.754859
other
Ac2Hg6
8
194
223.93
mp-1187044
-5.955558
-5.922916
1.965998
other
Sn6P2
8
194
198.01
mp-1183807
-7.933838
-0.492254
3.873326
other
Co6Ru2
8
194
92.24
mp-1201333
-9.283226
-1.504799
2.840893
other
Pr8Ni28
36
194
548.33
mp-861943
-8.261251
-3.257976
2.479492
other
B2Pt6
8
194
122.23
mp-973965
-7.654836
-6.79773
6.815096
other
Nd6Ag2
8
194
238.35
mp-973911
-6.088879
-5.285571
5.289134
other
Pa6Re2
8
194
179.75
mp-973983
-8.472365
-4.025784
2.126234
other
Ni2Pd6
8
194
111.22
mp-1120748
-9.144096
1.922412
-3.040363
other
Te2Mo2
4
194
86.73
mp-862851
-1.471707
1.835669
-1.886052
other
Pa2I6
8
194
446.31
mp-605027
-8.063097
-9.601604
4.705407
other
Mg20Pd8
28
194
553.9
mp-1039227
-5.16261
-7.349094
3.938179
other
Ca4Mg2
6
194
217.19
mp-1184702
-7.3511
-7.218185
1.875846
other
Hg6Pd2
8
194
167.73
mp-1186930
-7.300277
-4.08217
1.061972
other
Sb2Pd6
8
194
130.41
mp-1186527
-6.886332
-7.197518
7.21398
other
Pm6Nd2
8
194
282.66
mp-976591
-7.587738
-0.96208
5.424417
other
Gd2Mn6
8
194
133.13
mp-568058
-7.1902
-6.538169
4.136267
other
Yb2In4
6
194
161.2
mp-1187552
-5.846156
-6.364547
1.384583
other
Tl6S2
8
194
227.47
mp-1008483
1.775843
2.79041
0.430483
other
Cd2N2
4
194
56.91
mp-1187449
-6.322213
-6.197452
6.06656
other
Th6Cr2
8
194
227.68
mp-30752
-7.569475
-10.060603
6.412864
other
La4Mg34
38
194
934.91
mp-976582
-5.806579
-4.22061
1.340959
other
Hf2Sb6
8
194
202
mp-971788
-7.229456
-1.175006
4.038446
other
V2Ru6
8
194
108.03
mp-1186638
-3.379702
-1.620231
-5.376284
other
Pm2S6
8
194
160.67
mp-30739
-8.162383
-8.723718
5.184854
other
Mg6Ir2
8
194
146.23
mp-1184334
-7.512064
-1.880155
4.496216
other
Er2Os6
8
194
133.08
mp-1094970
-6.932783
-10.075851
5.54694
other
Mg6Al2
8
194
164.02
mp-972794
-5.246116
-5.674782
0.391859
other
Si2Sb6
8
194
200.38
mp-570953
-7.696788
-4.597108
5.62187
other
Ho6Ga18
24
194
449.83
mp-976679
-6.019374
-4.760122
1.181856
other
Ho2Sb6
8
194
217.67
mp-1191285
-7.226557
-1.703808
3.06161
other
Nb8Ni16
24
194
312.03
mp-1186866
-4.1107
-6.944389
1.856364
other
Rb6Ir2
8
194
322.49
mp-1187559
-5.200363
-4.205387
0.971433
other
Ti2As6
8
194
147.49
mp-2432
-6.456562
-10.391316
5.854863
other
Ca4Mg8
12
194
337.9
mp-977216
-6.721764
-3.917415
5.609631
other
Np2Al6
8
194
155.11
mp-1191422
-7.552281
-0.900695
4.227939
other
Ti8Co16
24
194
298.69
mp-1185780
-6.636578
-11.736597
6.117562
other
Mg6C2
8
194
160.55
mp-1185166
-6.965502
-6.866808
7.24009
other
La2Sm6
8
194
283.35
mp-1186184
-4.925766
-7.625435
3.424944
other
Na2Sr6
8
194
422.85
mp-2507
-4.004651
-1.384269
-6.001956
other
Ga4S4
8
194
179.07
mp-568186
-7.811854
-1.670104
4.906037
other
Y4Ru8
12
194
212.02
mp-864621
-7.815699
-4.783492
5.53702
other
Nd2Ga6
8
194
163.65
mp-1184182
-6.384208
-5.518377
1.143452
other
Er2Bi6
8
194
242.1
mp-21030
-5.650896
-3.103447
3.60104
other
Ti6Sn2
8
194
143.98
mp-569979
-7.569521
-1.811461
4.800542
other
Zr4Ru8
12
194
196.66
mp-553942
-4.604319
-1.815969
-5.733065
other
Cu4S2
6
194
83.88
mp-862844
-6.699638
-3.941877
5.961768
other
Pa2Al6
8
194
154.98
mp-1183098
-6.161919
-8.005572
5.76768
other
Ac6Tm2
8
194
332.56
mp-1095487
-6.112807
-1.524244
4.332994
original
Lu4Tc8
12
194
211.51
mp-864662
1.164207
1.960151
-5.198274
other
Ho2Cl6
8
194
293.8
mp-867356
-7.332756
-1.220688
4.28755
other
Tc2Ru6
8
194
109.59
mp-977188
-5.625219
-6.924961
3.873013
other
Li6Dy2
8
194
187.38
mp-1183275
-6.070444
-6.700427
2.06886
other
As2Pb6
8
194
230.31