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-1104662
-7.479632
-5.946959
3.750368
other
Yb10Pt4
14
15
390.82
mp-1214861
3.515213
-0.525532
-2.641669
other
Al2H12
14
15
510.2
mp-753707
9.000132
8.834547
-0.612608
other
Bi6O10
16
15
270.85
mp-1071539
6.576156
6.112737
-3.723149
other
K2O4
6
15
458.15
mp-560064
15.600648
5.657446
0.332932
other
Si32O64
96
15
2,137.65
mp-1181863
11.106747
13.033434
-0.699286
other
Cr4O6
10
15
142.82
mp-569404
-7.976905
0.02121
2.552477
other
Ni8B6
14
15
116.66
mp-1181931
9.343744
1.854436
0.69158
other
Cr2F6
8
15
174.59
mp-29711
-6.007792
-3.482366
-2.195114
other
Tl4Te6
10
15
347.81
mp-557993
6.104887
9.014737
-1.375739
other
Bi4O8
12
15
170.97
mp-1205393
6.61104
8.584284
-2.675154
other
Al4O12
16
15
224.14
mp-1185886
-7.485148
-7.446047
2.100585
other
Mg2Hg4
6
15
131.16
mp-655360
-1.338877
2.020634
-2.204172
other
U2I8
10
15
479.21
mp-541013
-1.225072
2.133747
-2.675167
other
Ti2I8
10
15
403
mp-32654
-5.665036
-3.779466
-1.475399
other
Sc4Te6
10
15
304.37
mp-754893
11.671012
8.491426
1.883412
other
U8O14
22
15
321.97
mp-646122
5.799946
2.220748
-2.990713
other
C160Cl24
184
15
2,453.66
mp-1179856
6.668397
5.958304
-3.759995
other
Pt2O12
14
15
187.08
mp-1103979
-8.257368
-6.680085
7.053466
other
Nd10Ru4
14
15
397.27
mp-1195825
-0.19156
1.226705
-4.140585
other
Si12Br24
36
15
1,322.69
mp-1094374
-7.208654
-8.977383
6.598759
other
Mg4Ti2
6
15
123.91
mp-1306224
8.760883
14.985204
-0.917463
other
Mn4O6
10
15
108.72
mp-30826
-7.872102
-4.798431
1.850804
other
Pd26Pb18
44
15
874.15
mp-1178873
13.182755
12.178021
-0.702486
other
V4O6
10
15
111.77
mp-612
-2.595739
-0.638552
-4.611711
other
P8S8
16
15
405.47
mp-27467
-5.393826
-2.1086
3.419723
other
Ta24S4
28
15
491.52
mp-10390
11.13161
11.851437
2.759739
other
Ta4O10
14
15
168.12
mp-1196893
-8.393608
-4.375761
1.982045
other
B6Pd32
38
15
530.82
mp-11684
14.771843
5.99129
-0.062642
other
Si8O16
24
15
274.68
mp-542846
-2.986502
-0.920725
-4.834626
original
As8S8
16
15
436.51
mp-1180929
-2.66836
-2.700655
-5.720597
other
Lu4S6
10
15
292.15
mp-568546
-0.438147
1.214459
-4.47417
other
In40Br56
96
15
3,487.26
mp-569032
-8.774323
-6.178949
2.390912
other
Pr2Au12
14
15
278.59
mp-1064300
-4.01983
-6.103968
2.673418
other
K2C2
4
15
117.55
mp-568394
1.836995
2.95191
-4.515311
other
Mo4Cl12
16
15
411.74
mp-1094595
-6.781263
-9.64327
2.987698
other
Mg4Sb2
6
15
142.65
mp-1211632
-0.328177
0.604082
-0.118129
other
K2C4
6
15
143.74
mp-7547
-4.528651
-2.977162
-3.580831
other
Ba2Se4
6
15
204.27
mp-23257
8.139438
2.30409
-1.091381
other
I10F50
60
15
911.54
mp-1780502
11.776303
13.647038
-2.30288
other
V4O8
12
15
147.89
mp-1104160
-8.414272
-6.520527
6.788139
other
Pr10Ir4
14
15
415.18
mp-542794
-5.605193
-0.779474
-3.900714
other
Fe14S16
30
15
389.82
mp-1786164
8.679859
1.887185
-0.399455
other
Sn2F8
10
15
136.59
mp-1179342
3.417836
-0.544591
-2.66714
other
Sn2H8
10
15
181.69
mp-1094139
6.337987
11.291029
-1.703922
other
Ni4O10
14
15
142.47
mp-1094468
-7.778425
-10.659444
5.017441
other
Mg4Zn2
6
15
113.72
mp-1094203
-7.05627
-6.516978
6.256206
other
La4Mg2
6
15
194.11
mp-1819
9.965546
9.938792
-0.679185
other
Sb4O8
12
15
153.68
mp-1419
5.305038
3.03221
-3.934827
other
S10N12
22
15
439.63
mp-1182416
9.420385
0.914446
-0.829946
other
Co2F6
8
15
98.7
mp-1191789
16.631912
9.55327
7.387627
other
Mg12O12
24
15
374.98
mp-541155
-4.15247
-0.070694
-4.742314
other
V4S16
20
15
446.18
mp-1104413
-6.156617
-6.781209
3.535752
other
Eu10Pt4
14
15
438.91
mp-1080326
-4.271903
-4.980875
-3.418194
other
Ce4Se8
12
15
795.36
mp-554714
11.301419
8.979122
1.94121
other
Np8O20
28
15
447.99
mp-743270
-6.777686
1.303752
-4.197361
other
Mo30Se38
68
15
1,512.3
mp-1094694
-7.383425
-7.099296
2.547257
other
Mg2Cd4
6
15
126.97
mp-28709
5.52941
2.281979
-3.206255
other
C120S32
152
15
2,595.58
mp-562065
13.806256
7.478944
-5.266974
other
P8O16
24
15
334.68
mp-1105081
-8.884145
-6.236541
6.676779
other
Tm10Ir4
14
15
353.12
mp-27857
-0.678909
1.318115
-4.226659
other
Pd8Br16
24
15
705.7
mp-1094634
-7.051755
-10.521297
5.060265
other
Mg4Ga2
6
15
118.56
mp-31034
8.369174
1.147235
1.626225
other
Th6F24
30
15
498.58
mp-1179195
14.01619
6.680352
-0.767988
other
Si20O30
50
15
994.52
mp-1095665
6.700944
8.637657
-2.213162
other
Ca4O8
12
15
170.16
mp-1080261
-4.26356
-4.982331
-3.421079
other
Ce4Se8
12
15
977.11
mp-715514
13.202234
12.729948
-0.89103
other
V4O6
10
15
107.39
mp-1238971
8.526969
1.825175
-0.75439
other
Tb4F30
34
15
551.79
mp-680345
-0.230817
1.355124
-4.514735
other
Tl64Br96
160
15
5,681.81
mp-570553
-4.844867
-1.686132
1.186362
other
Fe4P16
20
15
288.2
mp-13871
-7.39149
-3.173821
1.981129
other
P4Pt10
14
15
216.68
mp-7302
-4.543657
-1.883053
1.012736
other
Cr2P8
10
15
148.27
mp-759867
10.06493
2.489491
0.444292
other
V2F8
10
15
149.28
mp-641678
8.265817
2.40838
-0.7489
other
Xe16F96
112
15
1,878.43
mp-1179128
6.652862
6.084659
-3.69007
other
Sr2O12
14
15
206.15
mp-28878
-5.853969
-3.189418
-1.814786
other
Rb2Te12
14
15
529.27
mp-574424
4.566725
3.212782
-3.81856
other
Se8N8
16
15
349.58
mp-558733
12.717406
7.173803
-1.170472
other
Si6O12
18
15
146.84
mp-1096908
0.646772
3.109128
1.561138
other
Cr8N16
24
15
354.72
mp-1039390
-5.177211
-7.360938
3.961272
other
Ca4Mg2
6
15
211.33
mp-1077301
-0.93476
0.467573
0.976918
other
Eu2C4
6
15
103.22
mp-1181824
8.952023
12.948788
-1.266473
other
Fe4O6
10
15
147.99
mp-772550
7.557472
9.652902
-3.869508
other
Cr4O12
16
15
257.17
mp-1104687
-8.883012
-6.210201
6.659609
other
Ho10Ir4
14
15
360.79
mp-1190549
11.799776
7.367189
-1.115151
other
Ge8O16
24
15
315.74
mp-1094233
-6.40889
-6.32955
2.102398
other
Mg2Sn4
6
15
154.67
mp-604
10.968839
11.970411
2.648279
other
Nb4O10
14
15
173.21
mp-8251
-4.803138
-1.757012
1.369089
other
V2P8
10
15
157.07
mp-1179706
7.315294
7.689935
-3.093314
other
Rh4O6
10
15
182.71
mp-1096914
0.676416
3.103574
1.517347
other
Cr3N6
9
154
156
mp-223
11.771009
7.298883
-1.040194
other
Ge3O6
9
154
121.61
mp-640917
7.984859
4.946128
-2.421001
other
Si3O6
9
154
131.53
mp-1015908
0.707497
2.255663
2.247376
other
Cr3N6
9
154
70.17
mp-1237669
-4.204357
-3.992776
-3.356653
other
Ce3Se6
9
154
245.64
mp-1077107
8.921302
8.908666
-1.430128
other
Hg3O3
6
154
108.22
mp-1071269
-5.826277
-3.436406
-2.539748
other
Hg3Te3
6
154
195.98
mp-1018722
-4.459798
-2.411461
-4.012122
other
Hg3Se3
6
154
167.63
mp-9252
-3.649341
-1.282292
-5.745449
other
Hg3S3
6
154
165.69
mp-1080296
-4.285043
-4.986024
-3.405559
other
Ce3Se6
9
154
618.53
mp-1080346
-4.209951
-3.996039
-3.369683
other
Ce3Se6
9
154
247.95