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-1218342
-6.402586
-6.846115
2.964055
original
Sr2Cd2Sn2
6
12
176.49
mp-766395
13.796005
7.942818
-5.601223
other
P8W2O24
34
12
563.08
mp-569434
-6.614137
-5.61343
3.973555
other
Yb4Zn6Ge6
16
12
319.12
mp-570121
-4.995554
-6.054799
0.746874
other
Ba11Cd6Sb12
29
12
1,090.03
mp-1205523
-7.735842
-3.159229
5.078524
other
Sc4Co2Ge4
10
12
169.11
mp-1174299
6.993793
19.74262
-0.15041
other
Li8Mn6O14
28
12
260.05
mp-756516
7.954838
17.575083
-0.111379
other
Li4Mn4O8
16
12
148.77
mp-758978
5.981356
13.138435
-1.482144
other
Li3Ni4O8
15
12
134.53
mp-1207028
-5.193935
-3.162697
6.035467
other
Ho4Fe2Si4
10
12
184.26
mp-1100480
6.78561
20.1714
-0.152331
other
Li9Mn7O16
32
12
302.48
mp-1247333
1.54328
1.807687
1.43587
other
Sr9Cr2N8
19
12
417.11
mp-1197291
-4.456561
-3.968178
-3.745866
other
Yb11Gd4Se22
37
12
1,056.18
mp-755422
6.289952
13.096176
-2.746985
other
Co8O12F4
24
12
238.74
mp-532384
10.161885
10.675961
3.326021
other
Dy16Ti16O56
88
12
1,057.18
mp-775831
8.631345
14.118188
-1.441188
other
Ti1Mn2O6
9
12
107.2
mp-541620
10.706779
12.530724
-0.344968
other
Ca2Fe9O13
24
12
266.07
mp-555660
12.185306
13.074314
-2.282025
other
Li2V6O13
21
12
245.95
mp-1100528
6.516967
20.455925
-0.208527
other
Li9Mn7O16
32
12
307.79
mp-634802
9.262633
6.370007
-3.151173
other
Np1O2F2
5
12
69.82
mp-1278711
11.884477
11.368544
2.091508
other
Ta4Cr2O12
18
12
216.07
mp-1179485
-8.361676
-5.45839
3.373961
other
Sm4In21Pd10
35
12
744.38
mp-1238023
-4.506082
-3.975339
-3.895855
other
Dy2Mg2Se6
10
12
288.03
mp-1245829
0.107993
2.446856
2.134593
other
Mg1Mn10N8
19
12
188.02
mp-2233925
6.009342
12.317413
-1.60189
other
Mg1Ni4O8
13
12
157.69
mp-755198
8.979728
8.522535
0.118001
other
Cs6La2O6
14
12
421.56
mp-558430
8.692024
1.537062
0.046254
other
Ba1B2F8
11
12
137.71
mp-28224
0.765469
1.996346
-4.978347
other
Hg8As4Cl8
20
12
552.84
mp-1078541
6.098375
2.39342
-3.01259
other
B2C4N2
8
12
52.94
mp-1232268
-5.57104
-0.119913
-5.797295
other
Cr2Ag1S4
7
12
129.65
mp-19413
12.107746
11.936651
-1.563231
other
Al2W2O8
12
12
124.4
mp-753651
1.094633
1.68991
-5.118925
other
Sr1La2Cl8
11
12
296.84
mp-1100500
7.129692
19.676392
-0.123258
other
Li9Mn7O16
32
12
297.77
mp-546684
9.17393
7.398545
-3.367421
other
Pd2Se2O6
10
12
151.68
mp-9794
-4.6527
-2.940319
-3.601563
other
Rb4Ge2Se6
12
12
419.2
mp-1232847
-6.062321
-2.213379
1.153309
other
Ba2Fe4As4
10
12
204.53
mp-1222209
16.49828
9.71452
5.582161
other
Mg16Fe4O20
40
12
377.27
mp-755643
9.203818
8.56256
0.076892
other
Rb6In2O6
14
12
311.5
mp-777945
8.493643
14.236639
-1.503313
other
Ti4Mn16O40
60
12
706.1
mp-1079447
5.550762
5.123298
-3.937306
other
Ni2Cl4O4
10
12
240.91
mp-1219110
-7.552472
-5.660925
6.335266
other
Sm2Al2Zn2
6
12
128.07
mp-1246741
0.082101
2.307669
1.779593
other
Cr4S3N2
9
12
116.37
mp-861595
-8.639612
-6.168702
4.904527
other
Pr4Cd2Cu4
10
12
233.27
mp-866774
-8.78215
-0.183541
2.464486
other
Gd3Ni19B10
32
12
328.56
mp-2228178
9.1495
14.596705
-0.354555
other
Mg1Mn5O8
14
12
165.67
mp-755266
10.253435
12.879932
1.427248
other
Li4Ti3O8
15
12
147.88
mp-31405
-2.123914
-5.841054
7.201914
other
Mg4Al1Si6
11
12
202.19
mp-1444353
0.885846
2.450271
2.03189
other
Mg4W2N4
10
12
122.33
mp-1100497
7.153294
19.545656
-0.112983
other
Li9Mn7O16
32
12
296.59
mp-669516
-2.598461
-2.795494
-5.358694
other
La10Er9S27
46
12
1,084.38
mp-1100492
7.17669
19.497362
-0.124349
other
Li9Mn7O16
32
12
297.66
mp-558974
8.229518
10.62022
1.788807
other
Pr5Ru2O12
19
12
282.01
mp-1203847
8.20611
10.355504
0.944852
other
Ba10Re3O22
35
12
607.31
mp-28915
9.023655
7.117909
-3.583186
other
Mn6Se6O20
32
12
441.59
mp-976603
4.427032
1.983912
-1.329147
other
Lu2Fe17C3
22
12
208.65
mp-1211838
8.295471
1.099171
0.356814
other
K3Rh1F6
10
12
266.2
mp-759096
11.961194
11.26616
-1.792593
other
Na7W12O36
55
12
718
mp-636773
-0.768031
0.61883
-1.881386
other
Ce6Al4I4
14
12
425.44
mp-752654
5.372933
10.670219
-2.089612
other
Li3Fe2O6
11
12
106.11
mp-755879
11.529643
1.484673
2.655782
other
Fe8O2F14
24
12
302.34
mp-766570
9.978889
8.833915
3.265155
other
Ce3Th4O14
21
12
296.43
mp-775873
8.54525
14.014791
-1.610032
other
Mn13Cr3O32
48
12
566.35
mp-1189710
10.117837
7.277589
-2.140868
other
Mg3Si4O13
20
12
255.12
mp-2619703
8.578259
1.459946
0.586481
other
Zr1Cu1F6
8
12
133.82
mp-581174
9.803757
12.230447
-4.110991
other
K2V8O21
31
12
396.95
mp-1246446
0.085653
2.522149
2.009976
other
Mn8Fe3N8
19
12
178.18
mp-1209673
8.996984
6.412934
-4.051966
other
Si8C2O26
36
12
650.27
mp-12837
-5.196681
-3.747856
6.176529
other
Er6Fe2Si6
14
12
264.95
mp-1215979
-8.951679
-6.104346
3.635237
other
Y2Ga2Au2
6
12
123.7
mp-541614
10.954967
10.782991
-3.594899
other
K3Mo10O30
43
12
653.69
mp-1210180
8.084184
7.121663
-2.866189
other
Na5I1O6
12
12
145.11
mp-18821
11.476929
10.292054
1.679385
other
Y5Mo2O12
19
12
250.05
mp-757862
12.992591
10.445506
2.304613
other
K4Nb15O24
43
12
584.39
mp-761270
10.840335
13.280359
0.091364
other
Li9Cr5O12
26
12
236.24
mp-1236616
7.118206
8.450044
-2.204524
other
Li1Nd2O6
9
12
131.44
mp-866789
-0.424848
0.728223
-2.708475
other
Gd10C12Cl6
28
12
521.8
mp-1201076
-8.120765
-3.319093
4.367418
other
Y4Ga21Ni10
35
12
548.81
mp-997009
8.226004
9.646866
0.434935
other
Ba2Au2O4
8
12
151.51
mp-1105194
11.428274
10.033207
1.783286
other
Ho5Mo2O12
19
12
245.82
mp-1227971
-6.103117
-6.844903
2.872349
other
Ba2Cd2Sn2
6
12
194.1
mp-758262
11.413246
11.12846
-0.439975
other
Ga13Fe11O32
56
12
602.5
mp-1079569
6.609352
6.15587
-3.953576
other
Te1N2O6
9
12
147.68
mp-555370
-5.255717
0.834907
-4.148907
other
V1Mo2S4
7
12
113.73
mp-1175445
4.202249
19.507988
-1.829955
other
Li9Co7O16
32
12
284.02
mp-1392273
6.949807
13.576527
-1.709514
other
Ca2Co4O8
14
12
155.52
mp-1103006
5.507833
4.660598
-4.185557
other
Ni1N6O4
11
12
156.5
mp-767039
12.954152
8.430104
-2.863759
other
Sn16P4O26
46
12
760.23
mp-616220
-5.268132
-3.017772
-4.27851
other
Rb3Cu8Se6
17
12
360.44
mp-1103799
11.434714
8.482803
2.645213
other
Dy6Sb2O6
14
12
263.72
mp-28962
10.658343
11.412363
2.151844
other
Ti4Bi2O11
17
12
207.6
mp-753676
12.604724
10.933496
2.072192
other
Ta4Ti2O12
18
12
213.13
mp-1209759
-6.520229
-3.721552
0.771778
other
Pr3Sb4Pt7
14
12
299.87
mp-27391
8.487604
1.316512
1.117308
other
Na5Zr2F13
20
12
319.65
mp-541825
10.440005
12.975344
-3.757621
other
Mn2V4O12
18
12
199.78
mp-27362
-0.211498
1.651071
-4.188864
other
Nb2S4Cl4
10
12
232.16
mp-1178369
8.098804
11.897087
-0.851758
other
Cu1Ni1O2
4
12
39.36
mp-5652
12.34065
6.534378
0.172878
other
Y2Si2O7
11
12
143.31
mp-29455
11.786081
7.946573
-0.377633
other
Ga4Ge1O8
13
12
142
mp-33916
8.678955
9.339657
2.317705
other
Nd2Cu1O4
7
12
95.45
mp-1215381
12.329996
8.91779
2.775198
other
Zr18Co6O4
28
12
492.75
mp-7923
-5.236903
0.789301
-4.430826
other
Co1Mo2S4
7
12
107.13