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-767223
13.254307
8.662998
-7.701516
other
Li2V2Cr2P4O16F4
30
2
354.56
mp-772306
9.795965
3.63891
-8.189242
other
Na10Li2Fe4P4C4O28
52
2
616.11
mp-1202744
8.600858
1.74216
-4.638968
other
H36C12S8N8Cl4O16
84
2
1,081.61
mp-1202405
7.801219
0.204255
-4.530248
other
Si8Bi4As2H76C28Cl4
122
2
1,801.83
mp-1196706
8.310804
2.461713
-1.611929
other
Sb2H4C2S2O6F18
34
2
508.24
mp-766175
12.855886
5.379351
-6.19957
other
Rb2In2B2P4H2O18
30
2
372.51
mp-1194979
8.405134
1.779971
-4.636784
other
K4Nb6H22C10Cl12O16
70
2
1,162.43
mp-1199348
8.756617
1.552624
-4.397566
other
Cu1H44C12N8Cl2O10
77
2
744.26
mp-1177767
13.43739
7.848592
-6.90717
other
Li4V2Fe2P4H4O20
36
2
365.98
mp-558297
9.286541
3.588676
-7.617038
other
Na4Ce4Ti2Si2C4O24
40
2
499.3
mp-1200531
8.746355
1.512318
-4.370505
other
Mn1H44C12N8Cl2O10
77
2
751.45
mp-753446
14.235461
7.820864
-6.556196
other
Li4V2Cr2P4H4O20
36
2
363.03
mp-1177768
13.416068
7.845295
-6.876715
other
Li4V2Fe2P4H4O20
36
2
365.93
mp-1200075
8.412813
1.17597
-4.414954
other
H26Pt2C6N6Cl4O2
46
2
527.45
mp-1202992
9.012493
2.703779
-4.729311
other
Na1H12Au1C4S4O12
34
2
471.28
mp-1238563
8.0013
1.830977
-4.479364
other
H32Au2C24S4N6O8
76
2
860.88
mp-1210396
11.431123
5.726335
-4.708771
other
Na1Cu5Sb2As6H18O34
66
2
721.26
mp-729906
9.309578
2.305964
-4.507456
other
Pu2Co2H48C8N12O26
98
2
930.48
mp-559034
8.680391
1.798353
-4.521778
other
H36Pb2C12S8N4O18
80
2
902.27
mp-690848
8.79734
4.32263
-4.421904
other
Cd1H20C2S2N6O12
43
2
569.84
mp-776477
13.657112
8.523429
-7.952252
other
Li6Mn3V3P6O24F6
48
2
550.18
mp-759882
7.942811
2.034099
-4.305101
other
Ag2B2H16C8N16F8
52
2
563.94
mp-760191
11.5917
7.988137
-7.476304
other
Li2Mn2V2P4H4O20
34
2
359.41
mp-1201845
8.023962
3.631179
-3.661648
other
Li1Au1C4S4O12F12
34
2
501.72
mp-735041
10.680489
8.166584
-6.397646
other
Al2V2P4C2N2O18
30
2
481.2
mp-1233082
13.657596
6.517012
-5.47058
other
K2Mg1Zn4P4H2O16
29
2
425.27
mp-1182759
10.258818
4.68661
-4.18016
other
Na4Te1Mo6H40N2O40
93
2
996.28
mp-1202454
9.251393
6.97238
-3.576215
other
Rb4Fe8Cu1H6Se16O50
85
2
1,303.75
mp-1210347
8.404325
1.94047
-4.533977
other
P2H34C8S4N16O8
72
2
767.13
mp-1196516
7.926238
0.363899
-4.421076
other
P14H108Ir4C36Cl2F12
176
2
2,152.3
mp-776449
13.664916
8.534168
-7.925655
other
Li4Mn2V2P4O16F4
32
2
363.98
mp-553984
8.609385
1.22628
-4.644144
other
As2P6H36C12S12O12
80
2
1,164.6
mp-760822
13.444622
7.846866
-6.882273
other
Li4V2Fe2P4H4O20
36
2
365.77
mp-709031
11.244979
3.902635
-4.996262
other
Al8P8H22C6N2O36
82
2
951.99
mp-759013
12.738584
7.79865
-7.13362
other
Li2V2Cr2P4H4O20
34
2
356.31
mp-1194627
7.948874
0.890336
-4.467385
other
H20Pb2C12S4I2N2
42
2
653.17
mp-1201288
11.137541
4.227235
-4.665078
other
Cd4P4H20C2Cl4O22
56
2
654.39
mp-1176607
11.572696
7.999781
-7.477956
other
Li2Mn2V2P4H4O20
34
2
358.55
mp-1233328
13.067566
7.483361
-6.526236
other
K2Mg1Fe4P6O16F12
41
2
584.24
mp-772670
9.795579
3.639575
-8.190271
other
Na10Li2Fe4P4C4O28
52
2
617.24
mp-720340
12.601758
6.519625
-0.682495
other
Ca10Ti6Nb2Al2Si10O50
80
2
950.65
mp-772636
9.643516
3.713213
-8.34643
other
Na2Li10Fe4P4C4O28
52
2
564.96
mp-753660
14.226478
7.815072
-6.569412
other
Li2V1Cr1P2H2O10
18
2
181.63
mp-1209043
10.443512
7.420665
-5.965487
other
Sr2Al4Fe3P4H4O26
43
2
456.63
mp-766001
13.286565
8.655087
-7.685311
other
Li2V2Cr2P4O16F4
30
2
353.44
mp-1234834
13.986077
7.004168
-4.956159
other
Sr2Mg1Zn2Sn2P4O16
27
2
390.31
mp-746324
8.994919
2.755312
-4.995118
other
V4As6H34C8N16O34
102
2
1,143.64
mp-1233397
13.126146
7.548028
-6.271665
other
K2Mg1Fe4P6O16F12
41
2
600.15
mp-1180427
8.638345
1.593337
-4.418334
other
Ni1H44C12N8Cl2O10
77
2
752.1
mp-1199360
8.910897
2.24169
-4.656092
other
Sn2H14C6N2O10F2
36
2
380.15
mp-1196143
8.750182
3.41242
-6.104553
other
Na2U2Mn1H8C12O28
53
2
603.47
mp-1209137
8.346995
1.85099
-4.374213
other
Si1H14C4S2N8F6
35
2
411.86
mp-1190989
4.871217
3.98464
-4.115537
other
Cu1Au2C4N4Cl4O6
21
2
429.85
mp-776482
13.294255
7.824914
-7.251564
other
Li6Mn3V3P6H6O30
54
2
547.49
mp-1199897
12.033834
4.934838
-5.386473
other
Ca2Co2B2P4H10O22
42
2
423.53
mp-772652
9.582529
3.586963
-8.688085
other
Na2Li10Mn4P4C4O28
52
2
578.8
mp-758399
14.234927
7.820993
-6.564731
other
Li6V3Cr3P6H6O30
54
2
544.76
mp-1213451
8.663988
1.941341
-4.440899
other
Cu2Si3H24C8N20F18
75
2
733.36
mp-729296
7.760944
1.785204
-4.512084
other
Ni10Sb2H34C30N2O18
96
2
1,179.96
mp-560249
8.211557
0.989915
-4.446177
other
Si2H16C4N2Cl2O2
28
2
342.69
mp-756248
9.656237
3.663841
-8.363952
other
Na4Li8Fe4P4C4O28
52
2
582.17
mp-556278
8.102088
2.281488
-1.161956
other
Bi6As9Se4S10O20F65
114
2
1,931.67
mp-1192921
8.452174
1.374892
-4.410306
other
Sn2H14C4Se2Cl2O6
30
2
410.3
mp-560849
8.715024
1.222487
-4.344509
other
Fe2H28C8N2O2F8
50
2
468.25
mp-1393717
7.759525
5.215578
-1.859689
other
Li2Mn1V1P2O8F2
16
2
183.05
mp-1202335
8.472652
1.241589
-4.454595
other
Be2H32C8S4Cl4O8
58
2
684.98
mp-1205052
4.911286
2.89561
-3.624729
other
Mo4P8C28S2N2Cl8
52
2
1,456.92
mp-849445
13.247988
7.819758
-7.277537
other
Li4Mn2V2P4H4O20
36
2
363.7
mp-1193408
12.789412
5.393461
-6.109122
other
K2In2B2P4H2O18
30
2
360.09
mp-759884
11.567367
8.0077
-7.490471
other
Li2Mn2V2P4H4O20
34
2
361.3
mp-753686
14.366519
8.51139
-7.176222
other
Li4V2Cr2P4O16F4
32
2
361.69
mp-1199405
7.945745
1.809288
-4.459974
other
H32Au2C24S4N6O8
76
2
1,003.01
mp-1221113
11.256632
5.755845
-5.433823
other
Na2Lu2P4H4C2O14
28
2
368.06
mp-752709
11.796457
4.405442
-5.282851
other
In2B2P4H10N2O18
38
2
386.61
mp-1198806
8.486172
1.165196
-4.473076
other
Na2Mo6H58C16Br8O16
106
2
1,529.52
mp-1229285
11.842626
4.854614
-5.120964
other
Al4Fe2Cu1P4H16O26
53
2
482.22
mp-1200870
8.109701
2.18787
-1.103785
other
Te2As2H2Xe2N2F22
32
2
480.48
mp-1201346
8.768828
3.405451
-6.092176
other
Na2U2Fe1H8C12O28
53
2
610.31
mp-1351567
7.505172
4.596884
-2.260751
other
Cu1H44C12N8Cl2O10
77
2
744.26
mp-1208798
9.411648
2.700591
-4.613517
other
U2H20C2Se4N8O16
52
2
608.75
mp-1105376
8.974947
7.25088
-4.08352
other
Zr2P2C2N2O6F6
20
2
376.84
mp-1177777
13.426604
7.846743
-6.892902
other
Li4V2Fe2P4H4O20
36
2
365.66
mp-1210766
9.471889
4.620726
-5.962244
other
Rb10H2W6S8N4O28
58
2
1,146.87
mp-699447
10.011187
3.523771
-5.157827
other
Rb4Li4H16S8N8O24
64
2
807.75
mp-1226454
9.538016
1.896991
-4.025342
other
Co2Si2H30N12O4F12
62
2
565.88
mp-1202239
9.042446
3.027799
-4.860465
other
Ba2H12C4S2N2O10
32
2
433.42
mp-558613
8.407237
2.252087
-4.545528
other
V2H32C12N12O14F4
76
2
776.09
mp-1180606
10.762586
3.860986
-4.650192
other
Na4Cu1P6H22N6O22
61
2
673.1
mp-43094
12.624339
6.52147
-0.630653
other
Ca6Ti4Al2Si6O28F2
48
2
558.9
mp-1225274
7.118345
3.156282
-3.824999
other
Fe4P4H4C16O12F12
52
2
849.87
mp-1204218
8.435442
2.321408
-4.498413
other
Sb8H24C4S4Cl24O24
88
2
1,775.18
mp-698289
8.009398
0.717995
-4.266675
other
B2H22Au2C8I2N4
40
2
506.58
mp-861714
14.359817
8.512412
-7.203753
other
Li4V2Cr2P4O16F4
32
2
362.06
mp-776480
13.677457
8.538701
-7.893181
other
Li4Mn2V2P4O16F4
32
2
374.23
mp-1212583
8.372145
2.386934
-4.634495
other
H16Pd1C4S4N10O6
41
2
473.33
mp-1212425
13.709066
7.938196
-5.035555
other
K4P8Pt2W2Cl2O20
38
2
642.24
mp-776578
13.671375
8.521646
-7.942123
other
Li6Mn3V3P6O24F6
48
2
549.35
mp-1177877
13.713939
8.526983
-7.930077
other
Li4Mn2V2P4O16F4
32
2
367.15
mp-730258
-0.403961
2.536058
-3.294885
other
Cs4Hg2C4S2I8O2
22
2
935.94
mp-556725
8.573299
1.124721
-4.502736
other
Cu2H16C4Br6N2O2
32
2
442.74