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-759312
10.137681
2.393031
-2.790098
other
Mg2Si2H24O12F12
52
14
523.8
mp-1200964
8.114135
4.991222
-5.03761
other
Pr4H8C8Cl8O36
64
14
879.73
mp-1204636
8.456828
2.370595
-4.654572
other
H32C4N20Cl4O12
72
14
659.29
mp-1201910
7.055668
6.021104
-4.154142
other
Ni2P4N4O24F4
38
14
582.43
mp-1210269
8.71792
3.444363
-6.343093
other
Na4Mn4H8C12O28
56
14
707.98
mp-1210468
11.452312
5.564439
-2.757818
other
Sr4Ca4B56H20O104
188
14
2,367.87
mp-572986
8.863919
1.667713
1.805689
other
Cs8Np8P4O16F28
64
14
1,084.28
mp-1196469
10.532753
4.092018
-4.969491
other
Rb4Mn2H24S4O28
62
14
706.09
mp-769159
11.866665
5.36057
-5.599223
other
Li4Cu4P4H8O20
40
14
420.98
mp-697926
9.626151
6.84965
-3.512523
other
Li4Cd8H4Se8O28
52
14
724.56
mp-1204029
10.500962
4.079505
-5.079622
other
Na8Mg4H40S8O52
112
14
1,157.77
mp-1197635
11.339805
5.829389
-5.89459
other
Na4Fe8P8H20O44
84
14
913.02
mp-704608
2.887523
2.837037
-4.393534
other
Mo16C24S16Cl80O16
152
14
3,942.02
mp-694982
9.754941
10.557552
3.390068
other
Sr4La4Mg2Ti6O24
40
14
496.56
mp-1200546
10.335066
3.637932
-4.289489
other
K4Na4H48C4O36
96
14
967.25
mp-510018
10.198563
4.644286
-4.523695
other
Rb4Cu2H24Se4O28
62
14
753
mp-1201798
7.357336
3.982148
-4.352337
other
H4S8N4Cl8O16
40
14
724.92
mp-1179291
5.085376
2.854474
-3.649856
other
Te4P8C24N8Cl8
52
14
1,254.63
mp-770237
8.397862
5.711034
-7.394693
other
Li4Mn4P4C4O28
44
14
532.43
mp-559162
7.813064
1.114554
-2.575052
other
Si4B44H40C16F44
148
14
1,746.95
mp-695906
10.508623
4.180041
-5.356167
other
Rb4Sm4H32S8O48
96
14
1,106.26
mp-1204851
9.902608
4.483667
-6.250471
other
K8H4S8N4O28
52
14
818.3
mp-1182523
8.826993
2.577126
-4.676104
other
Cu2H28C8N8O16
62
14
697
mp-561529
13.164979
6.565079
-0.561378
other
K4Eu8Si16O40F4
72
14
1,080.37
mp-562127
11.797724
5.933013
-4.754045
other
Sr4Co8As8H16O40
76
14
835.87
mp-14854
13.630805
4.48696
-2.081374
other
Sr8Li4In4B16O40
72
14
849.66
mp-1214968
8.03689
3.307276
-1.742604
other
Be4Ni2N4O12F16
38
14
603.45
mp-662588
5.095606
3.158587
-4.222982
other
Sb4Ru8C24Cl28O24
88
14
1,914.1
mp-1173174
10.850541
12.540401
1.990589
other
Sr4Li4Ti16Cr4O44
72
14
818.59
mp-1229147
13.261602
5.121121
-2.638977
other
Al2Fe2B4Pb4O16
28
14
352.06
mp-1203285
8.056815
0.665205
-4.500625
other
Sn2H24C8S4Cl8
46
14
756.31
mp-1229309
9.478542
7.189738
-2.464655
other
Ba8Na8Zr8Si24O92
140
14
2,161.28
mp-721924
13.626349
7.823056
-1.420505
other
Ca4Fe12Si8H4O36
64
14
697.07
mp-1204268
7.330696
0.357205
-4.041899
other
Co4B40H124C72O4
244
14
2,423.83
mp-1214769
8.954041
2.173535
-2.100543
other
Be4Co2H12N4F16
38
14
383.02
mp-561001
7.710185
3.367571
-3.517977
other
S8I8N8O8F16
48
14
1,064.44
mp-722963
10.162655
3.885223
-4.567009
other
Cu2H40S4N4O28
78
14
728
mp-554157
13.105269
5.471347
-6.413841
other
K4Na4Zn4P8O28
48
14
710.66
mp-1195067
10.991838
12.208411
-3.348994
other
Na8Sr4V8Co4O32
56
14
749.96
mp-1197319
1.229255
2.20443
-5.133384
other
Al8Bi28Ru4Br8Cl32
80
14
2,643.35
mp-24228
9.292617
3.536494
-5.742102
other
Na8Cu4H24C8O36
80
14
788.98
mp-557600
7.902014
2.494568
-1.789734
other
Sb4C8N4O8F24
48
14
772.54
mp-556431
9.309987
1.764435
-4.462977
other
P4H40C8N4O16
72
14
628.23
mp-706281
9.626081
2.961887
-4.159461
other
Na4H16C4N4O8
36
14
416.12
mp-542146
10.537682
4.242642
-5.33748
other
K8Fe4H32S8O48
100
14
1,156.38
mp-1204276
8.299604
3.289006
-5.671724
other
Zn12H24C24I8O48
116
14
1,795.48
mp-733998
10.570764
3.902442
-4.830672
other
Tb4H48S8N4O48
112
14
1,084.69
mp-768061
8.462737
5.688849
-7.318586
other
Na4Mn4P4C4O28
44
14
590.27
mp-1195088
8.292851
2.796801
-4.767959
other
Ni2H16C8N4O12
42
14
655.43
mp-556232
13.604475
5.212561
-6.633491
other
Na8Ca4Mg4P8O32
56
14
654.31
mp-1211852
9.703795
5.94092
-4.536232
other
Rb8U8Cr12H48O88
164
14
2,273.41
mp-1199620
8.814345
2.675814
-3.302509
other
Li8H40C32O28F72
180
14
2,106.67
mp-604273
11.481357
4.636091
-4.929538
other
Cu4Ge2P4H20O28
58
14
559.74
mp-655078
9.148038
4.740477
-4.032969
other
K4Zn2H24S4O28
62
14
812.06
mp-562548
7.565791
2.565665
-2.521716
other
Co4B4C32O20F40
100
14
1,523.11
mp-1238037
8.59504
2.131978
-1.65415
other
Be4Co2H12N4F16
38
14
499.03
mp-1198901
10.011592
5.059706
-4.597567
other
Cs4Cu2H16Se4O24
50
14
695.68
mp-783907
13.630891
7.074592
-6.815857
other
Li4Mn4P8H4O28
48
14
547.9
mp-766698
9.681657
3.780709
-8.537877
other
Li12Cr4P4C4O28
52
14
551.18
mp-720402
6.362765
0.519585
-3.466356
other
B40H52C4S4N4
104
14
1,130.71
mp-567451
8.382499
0.730954
-4.50911
other
Mn4H32C8N4Cl12
60
14
773.09
mp-1195381
12.117607
7.186891
-4.33224
other
Zn6Te4P4Pb4O28
46
14
667.5
mp-774684
8.436391
5.658712
-7.316988
other
Na4Mn4P4C4O28
44
14
601.37
mp-1182614
10.520025
4.57485
-5.13361
other
Fe4P4H20C4O32
64
14
864.09
mp-1211766
11.467719
4.444943
-4.897659
other
Mn4P12H24N4O28
72
14
1,069.47
mp-707876
12.186538
4.854545
-5.245279
other
Ca6Be4P8H20O40
78
14
798.4
mp-707517
11.413657
5.129324
-5.018172
other
Rb4U4P8H32O44
92
14
1,242.42
mp-1197849
13.04285
4.864195
-4.760217
other
Na12B8P4O20F16
60
14
713.75
mp-770248
8.39244
5.744961
-7.369641
other
Li4Mn4P4C4O28
44
14
537.59
mp-558377
8.67035
2.2892
-4.685639
other
B8H48C12N24O24
116
14
1,079.89
mp-721317
10.223751
4.327168
-5.66768
other
Na4Cu2H8S4O20
38
14
400.72
mp-732275
10.052691
2.997278
-3.777833
other
Mo12H36Br12Cl16O16
92
14
1,814.27
mp-555625
7.888196
3.584116
-3.587263
other
C16S8Cl8O32F24
88
14
1,502.77
mp-1195625
7.961064
0.476693
-4.453807
other
Sb8H48Pd4C16Cl16
92
14
1,440.32
mp-1203094
11.076809
3.989841
-4.386068
other
Mg2Zn4P4H48O40
98
14
892.14
mp-554335
10.174758
4.613469
-4.498875
other
K4Cu2H24Se4O28
62
14
718.94
mp-556926
8.171891
2.450179
-1.572781
other
Cu2As4S8O16F24
54
14
902.25
mp-1203689
10.905826
8.18695
-7.047225
other
Rb4Al4V4P8O40
60
14
899.62
mp-1196741
10.261011
4.618792
-5.681455
other
K4U4H12S4O32
56
14
790.37
mp-708066
3.405056
3.084265
-4.541572
other
Sb24H12C4Cl52O40
132
14
2,910.37
mp-1201331
8.043417
0.490478
-4.405022
other
Si8B8H148C48N20
232
14
2,641.43
mp-728768
6.4737
3.41689
-4.553874
other
K12Mn12H8C48O52
132
14
1,969.33
mp-1213618
10.484838
4.471108
-6.617754
other
Cs4La4H16S8O32
64
14
1,205.14
mp-1196478
4.658607
2.739981
-3.650235
other
Cs8Hg8C24S24N24
88
14
2,258.27
mp-1195977
12.847115
5.628977
-6.1145
other
Cs4Ca4P12H8O40
68
14
1,038.61
mp-41092
8.314708
2.380606
-1.417105
other
As4S4Cl4O4F32
48
14
758.05
mp-6899
13.074904
5.42994
-6.249751
other
Ca4Be4P4O16F4
32
14
366.66
mp-779055
13.833923
7.207472
-6.814231
other
Li8Mn6P8H4O32
58
14
658.6
mp-556946
11.622052
8.565037
-6.861104
other
Rb4V4Cu2P4O24
38
14
567.22
mp-770572
10.594373
4.194217
-4.866788
other
Li4Fe2H24S4O28
62
14
615.42
mp-1197675
9.0165
2.64363
-4.695979
other
H12Pd2C4S4O12
34
14
419.44
mp-758903
11.957673
4.65121
-4.890179
other
Li4V2P8H32O40
86
14
837.37
mp-1193396
4.138328
2.942646
-3.766606
other
Sn4C4S4N8Cl8
28
14
741.79
mp-568282
7.930454
1.349185
-4.419152
other
Tl4H48C16Br16N20
104
14
1,730.9
mp-1048301
13.517465
8.274076
-0.686218
other
Ca4Ti8Be12Si12O48
84
14
885.26
mp-1182816
10.17897
4.370648
-5.015557
other
Fe4H40S8N4O44
100
14
1,087.06
mp-818426
7.7259
3.426277
-1.996585
other
Be4Co2N4O12F16
38
14
635.9
mp-562004
10.294863
9.478159
-1.966758
other
Ca4Co8Te12Cl8O32
64
14
1,126.8
mp-557661
8.268268
2.342766
-1.115166
other
Sb16Pd4C16O16F88
140
14
2,327.88
mp-1204584
11.419768
7.364691
-6.582001
other
Na4Cu16P8Cl4O36
68
14
866.42