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-11114
-4.749041
-2.327462
-3.497093
other
K2Cu2Pd2Se10
16
11
412.03
mp-774714
14.13651
7.33805
-6.049934
other
Li6Sb2P4O16
28
11
326.56
mp-9509
-2.673946
-0.682706
-5.334211
other
K4P2Au2S8
16
11
444.13
mp-1290236
9.445959
12.389008
1.294398
other
Mg8Ta4Mn4O24
40
11
431.2
mp-2646936
-1.296664
2.981167
-3.122206
other
Cs8Sb8S8I16
40
11
1,703.1
mp-1040459
9.806567
8.108462
-6.081101
other
Na2Fe6P6O26
40
11
500.1
mp-1346908
10.33077
9.852547
0.003054
other
Zn4Sn2Sb2O12
20
11
237.86
mp-1368098
12.208091
10.649689
-0.452438
other
Mg4Sb2W2O12
20
11
241.75
mp-1344346
8.61638
12.517934
-0.105718
other
Ta2Zn4Co2O12
20
11
205.54
mp-1013899
9.837863
8.178999
-6.146308
other
Li2Fe6P6O26
40
11
498.56
mp-1239175
-5.294421
0.005609
-5.666944
other
Ta2Cr6Ag4S16
28
11
556.37
mp-1094143
8.637621
7.939145
-5.00565
other
Li2Ni6P6O26
40
11
471.23
mp-684108
14.129094
7.157856
-6.107077
other
Li4Ti2P10O30
46
11
610.08
mp-1567267
13.823585
13.127569
-0.823798
other
Li6V4O8F4
22
11
229.38
mp-567373
4.899883
2.029721
-2.468711
other
La2C2N4Cl2
10
11
162.58
mp-17427
11.551219
9.251167
-5.079832
other
Ag2Mo6P4O28
40
11
548.45
mp-1192522
9.695897
7.387379
-5.509922
other
Ba4Cu2P4O18
28
11
414.07
mp-569810
1.906067
2.18342
1.276969
other
Sr8B4I4N8
24
11
592.33
mp-1204041
7.478854
4.840844
-5.418964
other
U4C8N2O30
44
11
901.71
mp-567722
2.124936
1.991312
1.559493
other
Ca14Nb2Si4N18
38
11
545.16
mp-643791
12.128263
4.929748
-5.194924
other
Rb2P2H4O8
16
11
218.53
mp-768715
13.786316
4.426504
-2.393514
other
Li6Bi2B8O18
34
11
354.19
mp-1197749
12.360774
6.469012
0.086726
other
Ba2Gd4Si6O20
32
11
445.11
mp-1207645
8.441378
1.928445
-0.015611
other
Y2Be2N2F12
18
11
268.35
mp-1013912
9.37689
8.35346
-6.350951
other
Li2Co6P6O26
40
11
457.39
mp-1224857
10.142554
6.913781
-2.464949
other
K2Ca4Si16O48
70
11
1,106.94
mp-1207549
2.521277
2.865712
-3.842897
other
Zn2Ru4Br14N12
32
11
857.18
mp-1178258
8.118843
5.620812
-6.018342
other
Fe2C2S2O14
20
11
291.4
mp-1041140
14.589743
8.125588
-4.058311
other
Mg2Ti6P6O26
40
11
500.73
mp-554177
8.430573
10.326493
1.404888
other
La8Cu6Mo2O24
40
11
607.14
mp-1346978
8.458143
11.522957
0.280182
other
Ta2Zn4Cu2O12
20
11
220.79
mp-1275484
8.835039
11.852334
-0.266441
other
Mg8Mn4Sb4O24
40
11
432.76
mp-23750
8.082266
0.652368
-4.453219
other
Si2H18C8F6
34
11
472.76
mp-1208909
10.523917
9.610856
3.038844
other
Sr4La6Ti4O20
34
11
475.99
mp-1189956
8.882813
1.255761
-0.637153
other
Ba2Mn2O2F10
16
11
266.75
mp-505375
8.185258
2.284084
-1.591453
other
Cs2B2C4F16
24
11
385.66
mp-1198043
12.809482
6.405219
0.051936
other
Sr2Sc8Si10O34
54
11
659.44
mp-1047869
13.537886
8.015182
-7.103154
other
Ca2Cr6P6O26
40
11
491.34
mp-1190173
8.428776
7.961111
-2.345566
other
Cu2Pb6Cl4O8
20
11
395.57
mp-1345721
10.519998
10.993867
2.724425
other
Ca8Ta4Cr4O24
40
11
478.39
mp-705356
12.320736
7.452371
-7.426392
other
Li4Fe2P10O30
46
11
602.06
mp-757947
13.614974
6.821501
-6.366455
other
Li4Sn2P10O30
46
11
654.04
mp-997571
8.421175
0.771801
-4.400858
other
H12C2I2N2
18
11
246.29
mp-775200
10.076223
8.236624
-7.103512
other
Mn2Ni2P4O16
24
11
271.19
mp-560845
-3.265152
-1.249174
-5.121888
other
Cu4As8S6Cl4
22
11
518.74
mp-1210830
10.285927
7.801742
-2.184797
other
Mn4Al6Si6O28
44
11
465.69
mp-1209059
12.02711
7.259432
-4.797072
other
U6P4Pb4O32
46
11
787.46
mp-10556
1.289739
2.008868
1.535671
other
Sr4Li2Re2N8
16
11
244.26
mp-7719
11.253138
3.979428
-7.519536
other
Na2Tm2S4O16
24
11
320.12
mp-1344636
8.321963
12.089642
-0.828909
other
Mg4Co2Sb2O12
20
11
211.33
mp-759146
10.197751
7.879025
-6.55847
other
Li4Ni2P6O20
32
11
367.05
mp-861612
11.918117
8.113182
-7.756233
other
Cr2Fe2P4O16
24
11
281.88
mp-757476
13.909735
8.638847
-5.299104
other
Co2P4W2O16
24
11
301.56
mp-1102736
5.263257
4.447012
-3.86597
other
Sn2Br6N2O2
12
11
381.29
mp-1197743
9.481953
7.697357
-4.011146
other
Tb4V4Se8O32
48
11
649.59
mp-1372315
8.440241
12.216445
0.125391
other
Ta2Zn4Ni2O12
20
11
211.57
mp-1194373
13.39684
5.184342
-6.948445
other
Na6In2P4O16
28
11
346.34
mp-1275082
9.898262
10.191774
1.199539
other
Ca4Cr2Sb2O12
20
11
239.46
mp-555219
10.854951
11.255138
-3.238051
other
Cu2W2O6F4
14
11
188.9
mp-1218866
10.122385
6.976334
-2.664977
other
Sr2Al4Si12O42
60
11
945.98
mp-1344994
10.097876
9.582952
0.757062
other
Ca4Sn2Sb2O12
20
11
265.36
mp-754252
14.688365
8.048456
-5.199579
other
Mn4Nb4P8O32
48
11
632.93
mp-1198609
8.868853
8.001886
-4.142177
other
Eu4V4Se8O32
48
11
676.96
mp-761044
12.364893
7.360113
-7.216337
other
Na2Ni4P6O20
32
11
358.7
mp-684477
13.645601
6.916412
-6.227325
other
Li4Sb2P10O30
46
11
683.16
mp-571135
-0.026982
0.848418
-2.840537
other
La6B2C2Cl6
16
11
351.99
mp-1199870
11.444934
6.876531
-0.11823
other
Ca4Y6Si6O26
42
11
534.84
mp-759584
13.456175
6.824797
-0.84736
other
Li8Fe4Si16O40
68
11
902.44
mp-1347039
12.163191
10.662529
-0.474025
other
Zn4Sb2W2O12
20
11
244.33
mp-755953
14.394094
8.515145
-5.749208
other
V2Sb2P4O16
24
11
328.16
mp-570803
-5.226087
-3.783329
-2.107185
other
Ba4Ge2Te4Se4
14
11
496.41
mp-1193926
13.173861
5.526348
-6.004157
other
K6Lu2P4O16
28
11
397.37
mp-1376543
7.605255
10.147847
-0.607423
other
Mg4Ta2Ag2O12
20
11
233.47
mp-1239207
-5.498891
-0.213299
-5.662416
other
Ta2Cr6Cu4S16
28
11
483.26
mp-775019
12.786043
7.753153
-6.583946
other
Co4Sb4P8O32
48
11
625.91
mp-1047813
14.642558
8.890923
-5.539682
other
V6Zn2P6O26
40
11
502.88
mp-861596
12.535391
7.834367
-7.12188
other
Fe4Sb4P8O32
48
11
638.61
mp-1367618
10.903613
10.055702
1.659801
other
Mg4Ta2Bi2O12
20
11
249.82
mp-1226012
-7.026058
1.494706
-4.199175
other
K4In2Mo30Se38
74
11
1,718.12
mp-26635
14.766545
8.457305
-4.319834
other
Li2V4P6O20
32
11
366.13
mp-555829
0.914525
1.45935
-4.644253
other
Na4Pr8Cl18O4
34
11
863.65
mp-1202152
11.781174
7.3372
-6.574995
other
Cu6Ge2P4O20
32
11
369.67
mp-1539853
10.240166
12.613221
-4.401052
other
Li2V2O4F4
12
11
130.61
mp-559296
6.958892
3.022014
-2.849235
other
As2S8N8F10
28
11
493.91
mp-1192654
12.540873
6.796885
-0.950203
other
Y6V2H6O16
30
11
338.1
mp-754558
9.566072
8.199025
-6.205546
other
Fe2Ni2P4O16
24
11
280.38
mp-863414
11.509887
7.769391
-7.686598
other
Li4Mn2P6O20
32
11
373.3
mp-1323661
11.174461
11.905464
1.903059
other
Mg8Ta4Cr4O24
40
11
423.52
mp-1192804
8.416997
6.354767
-5.747831
other
K2Fe2S4O18
26
11
380.66
mp-1178896
8.622119
7.976457
-4.880563
other
V4Cu2P4O28
38
11
552.9
mp-1193595
8.355155
0.709372
-4.447693
other
H20C6Br2N2
30
11
337.81
mp-562394
12.594562
6.463598
-0.72013
other
Cs16Li8Si24O60
108
11
1,853.64
mp-1048591
9.148291
7.03875
-3.830693
other
Cr6Se4Cl2O16
28
11
510.89
mp-23098
8.115845
2.341388
-0.883804
other
Re2N2Cl2F10
16
11
285.7
mp-1369089
12.512467
10.651653
0.476765
other
Ta2Zn4W2O12
20
11
229.49
mp-1178211
13.710579
7.816675
-6.602839
other
Fe2Sn2P4O16
24
11
307.78
mp-27007
14.576213
7.731369
-5.802475
other
Li2Fe4P6O20
32
11
370.01
mp-560339
12.909955
6.24679
-0.567032
other
Ca4Zr2Si8O24
38
11
512.95
mp-775299
10.040534
8.324496
-6.814907
other
Fe2Co2P4O16
24
11
279.26
mp-1101793
9.727501
6.94957
-3.32889
other
Y2Se2O6F2
12
11
199.98