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-1227580
7.297266
8.627329
-1.25743
other
Ba2Sr2Yb8O16
28
26
424.98
mp-1195589
-3.382467
-1.633383
-5.61097
other
Ba4Nd4Sn8S24
40
26
990.4
mp-1191621
1.773282
2.490333
-3.507933
other
Cd4I12N4O4
24
26
1,024.31
mp-1210126
8.740451
3.605822
-7.119861
other
Na2Sm2C4O12
20
26
232.04
mp-1238868
-5.06869
-0.084576
-5.629424
other
Ti4Cr4Ag4S16
28
26
502.93
mp-556340
11.375433
10.349513
3.585218
other
Ca4Ta4N4O8
20
26
251.34
mp-1221366
11.227191
7.19235
-3.001631
other
Mn2Ni10B4O20
36
26
344.57
mp-1227774
9.812431
8.336483
3.277216
other
Ba2Sr2Er8O16
28
26
423.81
mp-753871
14.964604
8.76732
-4.70425
other
Li2V4P4O16
26
26
288.35
mp-1222024
14.257091
7.256171
-1.606521
other
Mg4Ti4B4O16
28
26
281.23
mp-773901
9.961248
7.416585
-5.940195
other
K4Zn4P8O28
44
26
684.42
mp-1226896
-7.816657
-3.532547
4.5584
other
Ce4Ge4Ir2Rh2
12
26
237.47
mp-1223615
10.921321
11.691676
3.134736
other
K2Ta10Pb4O30
46
26
645.27
mp-1227771
9.687394
8.343558
3.220327
other
Ba2Sr2Dy8O16
28
26
432.84
mp-757248
13.423812
7.642572
-7.208785
other
Li8Fe4P4O20
36
26
376.77
mp-1201125
-3.405581
-1.727841
-5.632172
other
Eu8Lu2Sn6S24
40
26
930.51
mp-1239229
-5.510281
-0.142846
-5.646174
other
Ta2Cr6Cu4S16
28
26
468.82
mp-1197404
-3.613009
-1.579967
-5.722502
other
Y4Sn6Pb6S24
40
26
940.53
mp-1210138
8.731561
3.543843
-7.078206
other
Na2Nd2C4O12
20
26
237.03
mp-555976
14.103772
5.165417
-4.900595
other
Na8Ti4Si4O20
36
26
425.84
mp-1227144
7.199728
12.141537
1.765122
other
Ca2Nd2Mn4O12
20
26
231.5
mp-753603
10.792789
0.167382
0.519654
other
Li8Mn4O4F12
28
26
297.77
mp-1210183
-3.588362
-1.610295
-5.707586
other
Pr4Sn6Pb6S24
40
26
970.32
mp-1219308
13.753977
5.229666
-2.214951
other
Sc4Ni4B4O16
28
26
291.6
mp-1209172
-3.588293
-1.592538
-5.726228
other
Tb4Sn6Pb6S24
40
26
950.41
mp-1222168
13.702225
5.155168
-2.117862
other
Mg10Ti2B4O20
36
26
356.75
mp-680219
9.073032
6.821516
-3.696714
other
U4Pb4Se8O32
48
26
824.06
mp-755539
11.796235
0.811295
0.766032
other
Li2Fe4O4F6
16
26
216.03
mp-559868
8.777387
3.568281
-7.115311
other
Na2La2C4O12
20
26
247.1
mp-1218505
7.923106
10.883709
0.945238
other
Sr2Ca2Ru4O12
20
26
243.57
mp-1239168
-5.404037
-0.105545
-5.742947
other
Ta2Cr6Ag4S16
28
26
506.75
mp-1222975
7.931861
11.778004
2.165519
other
La2Pr2Mn4O12
20
26
250.69
mp-1216032
7.991664
11.363895
1.492844
other
Y2Er2Fe4O12
20
26
231.24
mp-1219801
13.402016
6.754161
-0.973461
other
Rb4V4Si16O42
66
26
1,040.86
mp-1222241
13.632007
4.903653
-2.150826
other
Mg6Ti2B4O16
28
26
279.11
mp-1239187
-5.216022
-0.132604
-5.630929
other
Ti4Cr4Cu4S16
28
26
471.6
mp-1182674
11.915706
5.741728
-3.308019
other
Ca8Mn8B16O52
84
26
955.94
mp-1239129
-5.564899
-0.150166
-5.713039
other
Nb2Cr6Cu4S16
28
26
470.16
mp-1221965
13.682106
4.799932
-1.571836
other
Mg4Sc4B4O16
28
26
296.57
mp-1222876
11.965828
9.821621
2.314707
other
La2Y2Ti4O12
20
26
244.77
mp-1224629
8.938204
11.176876
0.482836
other
Gd2Fe4Bi2O12
20
26
228.9
mp-1662153
10.612289
13.095766
1.12495
other
Li8Ti12Co4O32
56
26
598.1
mp-1222202
13.157272
8.399769
-1.181325
other
Mg2Fe2Si4O8
16
26
244.02
mp-1238857
-4.725391
-0.112534
-5.414303
other
Ti4Cr4Ag4S16
28
26
632.44
mp-1208404
-3.575466
-1.621374
-5.711284
other
Tm4Sn6Pb6S24
40
26
929.92
mp-557711
13.940075
5.243566
-3.564797
other
K12Nb12B8O48
80
26
1,073.28
mp-1102129
-5.424213
-5.896562
0.693868
other
Na4Yb2Cd2Sb4
12
26
340.44
mp-1105497
10.031872
11.161534
3.168605
other
Li2Nd2Ti4O12
20
26
231.63
mp-1227531
9.463932
8.320617
2.955127
other
Ba2Sr2Nd8O16
28
26
475.46
mp-758787
9.272898
8.138436
-3.060308
other
Li8Fe4Si4O20
36
26
377.97
mp-1226826
-8.136408
-4.617476
4.054626
other
Ce4Al4Pd2Pt2
12
26
252.78
mp-1218467
11.16425
11.955821
0.011364
other
Sr2Ca2V4O12
20
26
233.72
mp-542302
-3.867563
-1.925707
-5.336348
other
Cu2Bi6Pb2S12
22
26
532.58
mp-1020630
6.28628
4.948707
-4.502151
other
Rb4Na2N6O18
30
26
488.14
mp-1222347
11.154346
13.310934
0.280704
other
Li4Ti4Cr4O16
28
26
291.24
mp-1246605
-4.864833
-0.47109
-5.676635
other
Hf4Cr4Ag4S16
28
26
534.74
mp-554929
10.787127
10.868625
3.123922
other
Cs2Nd2Nb4O14
22
26
351.2
mp-1211741
10.088453
10.546768
3.381066
other
La6Ta2Ti4O22
34
26
454.54
mp-1213540
-3.564034
-1.611084
-5.717174
other
Dy4Sn6Pb6S24
40
26
937.1
mp-1209458
-3.604039
-1.60886
-5.702694
other
Sm4Sn6Pb6S24
40
26
958.36
mp-1221860
-7.27073
-1.341769
2.928664
other
Mn4Si2Ni4Ge2
12
26
149.57
mp-774904
6.4568
13.844642
-1.979763
other
Li8Ti2Co16O36
62
26
600.28
mp-1518764
7.623693
8.26482
0.575688
other
Ba2Tb4Sm2O12
20
26
321.35
mp-769509
8.548662
14.6895
-0.934549
other
Li8Ti2Mn16O36
62
26
664.91
mp-1220936
10.153678
9.25526
1.767317
other
Na4Sc4Sn4O16
28
26
346.35
mp-1222928
7.894453
11.81149
2.176861
other
La2Nd2Mn4O12
20
26
249.73
mp-697087
8.083753
2.511679
-1.703217
other
Sb2H4N6F12
24
26
362.21
mp-1220232
11.9063
7.274658
-2.708467
other
Ni10Ge2B4O20
36
26
345.21
mp-780114
10.675594
8.602551
-3.859906
other
Li4V4Si4O20
32
26
377.03
mp-1227501
9.5997
8.326495
3.073635
other
Ba2Sr2Sm8O16
28
26
459.87
mp-1194618
6.292262
10.067715
0.495791
other
Ba8Y4Fe4O22
38
26
623.01
mp-1216406
11.978465
7.522458
-3.000905
other
V2Ni10B4O20
36
26
345.62
mp-1221058
8.349129
13.08985
-0.788808
other
Na4Fe4Sn4O16
28
26
329.18
mp-1227979
7.430756
8.900701
0.431957
other
Ba2Sr2Eu8O16
28
26
470.53
mp-1218393
6.508842
12.140848
1.133425
other
Sr2Ca2Mn4O12
20
26
228.09
mp-1223659
-5.232761
-2.406873
-3.435451
other
K2Ba2Fe8Se12
24
26
613.29
mp-1222893
8.037279
11.331266
1.319207
other
La2Mn4Bi2O12
20
26
253.51
mp-1215985
11.0245
8.240275
2.262096
other
Y2Er2Al4O12
20
26
206.86
mp-770154
14.263166
8.016095
-3.103684
other
Li6V6B4O20
36
26
346.21
mp-1101327
11.388089
10.310482
3.786221
other
Sr2Ta2N2O4
10
26
135.93
mp-1222201
13.379969
7.637125
-0.66461
other
Mg6Fe2Si4O16
28
26
305.49
mp-1227878
10.460111
4.505147
-6.729478
other
Ba2Pb2S4O16
24
26
346.22
mp-757984
12.472964
10.96788
-1.569569
other
Li4P4W16O52
76
26
1,072.18
mp-1265172
13.505998
6.970558
-0.864363
other
Li12V4Si24O60
100
26
1,192.07
mp-559653
8.685786
3.566609
-7.036484
other
Sr2Ca2C4O12
20
26
255.95
mp-721896
8.207377
1.755732
-4.47659
other
H16C4S4N8
32
26
354.52
mp-1227529
9.660124
8.452119
3.189004
other
Ba2Sr2Y8O16
28
26
435.22
mp-1221855
12.078924
6.953184
-3.44139
other
Mn2Co10B4O20
36
26
357
mp-983327
10.173265
2.588242
-2.914805
other
K2H8O4F2
16
26
189.8
mp-764401
10.7331
8.254242
-7.552228
other
Mn2Fe2P4O16
24
26
289.81
mp-1239256
-5.066138
-0.508309
-5.591877
other
Zr4Cr4Cu4S16
28
26
508.67
mp-1220851
12.558594
7.068661
-0.684462
other
Na4Al4Si4O16
28
26
248.14
mp-1216885
-7.461904
-3.597902
3.783805
other
U4Ni2Ge4Pd2
12
26
223.2
mp-1516642
12.361088
10.474113
0.327995
other
Sr2Eu2W4O12
20
26
271.82
mp-558481
2.330868
2.382021
1.43501
other
Zn2Ga2N2O2
8
26
97.55
mp-769491
12.588893
13.190879
-0.848275
other
Li8Ti4V14O36
62
26
679.41
mp-1215311
12.050433
7.156714
-2.926411
other
Zr2Ni10B4O20
36
26
367.49
mp-1194578
-3.354214
-1.63455
-5.595524
other
Ba4Pr4Sn8S24
40
26
996.1
mp-1227160
7.308733
12.221891
1.723115
other
Ca2Tm2Mn4O12
20
26
222.69
mp-1239130
-5.526272
-0.236136
-5.719819
other
Nb2Cr6Cu4S16
28
26
489.63