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-1218870
7.949628
9.722123
1.37841
other
Sr8Ca2Y2Cu8Bi4Pb4O32
60
13
930.26
mp-1210325
13.169192
6.017475
-1.73839
other
Na8Zr4Ti2Mn2Si8O32F4
60
13
744.05
mp-1210416
13.228767
5.935987
-1.559505
other
Na8Ca2Zr4Ti2Si8O32F4
60
13
751.94
mp-1196726
8.214203
1.749209
-4.485267
other
Cu4H56C12S12N24Cl4O4
116
13
1,574.52
mp-1199124
10.385182
3.262744
-4.828667
other
Na4Al8H72S16N16Cl4O72
192
142
1,928.05
mp-1222063
8.821519
3.662542
-7.283442
other
Na15Y2C9S1Cl1O30F1
59
143
743.21
mp-1224548
10.211962
4.30773
-5.909539
other
K3Na7Mg2H12S6N2O36
68
146
859.52
mp-556173
6.575478
3.05512
-3.548543
other
Zn1As2C6S12N12O6F12
51
147
875.68
mp-1197034
7.611722
2.392686
-4.459957
other
Na2Mn2H12C6S6N6O6
40
147
611.72
mp-1203521
8.574288
2.522481
-4.602369
other
Cd2Re4H16C4S4N8O16
54
14
793.5
mp-706304
8.203784
1.098223
-4.556611
other
H72Ru4C24S12N12Cl4O12
140
14
1,515.38
mp-1204316
8.275845
1.07105
-4.552248
other
H48Ru4C16S8N4Cl12O12
104
14
1,526.99
mp-559704
8.496634
1.601351
-4.554115
other
P4H36C12S8N4Cl4O16
84
14
1,065.29
mp-1202667
8.268391
0.766183
-4.463907
other
Ni4P8H104C32S16N8O8
180
14
2,127.7
mp-1204443
8.150348
0.954225
-4.35634
other
P4H72Pt4C24S12Br4F24
144
14
1,896.76
mp-708964
10.62751
3.107009
-4.661412
other
Al8P8H32C8N4O32F4
96
14
984.42
mp-554761
8.266828
3.478368
-3.622985
other
Ba4H8C16S16N8O36F48
136
14
2,004.7
mp-1195523
8.670933
3.357658
-3.64704
other
Tb4H40C24S24N12O68F72
244
14
3,284.72
mp-1198363
8.4688
3.474095
-5.674957
other
K8U4H16C16S4N4O40
92
14
1,374.02
mp-1210421
13.205767
7.230536
-0.851567
other
Na4Ca4Zr4Fe4Si8O32F4
60
14
762.08
mp-1197294
8.010014
0.698442
-4.565073
other
Al8Si8P8H72C24N8Cl48
176
14
3,279.73
mp-1198405
9.871125
3.020413
-4.784534
other
Na4Cu4P4H32C8S4O32
88
14
907.25
mp-1199669
7.772764
0.219037
-4.497624
other
Zn4Si12Ge4H140C52Cl4O4
220
14
2,856.7
mp-1210293
13.083638
7.010698
-0.940734
other
Na4Ca4Ti4Mn4Si8O32F4
60
14
727.01
mp-1195359
8.678331
3.342755
-3.626359
other
Er4H40C24S24N12O68F72
244
14
3,299.95
mp-738597
8.327836
1.115881
-4.506748
other
H96Ru4C28S12N4Cl12O16
172
14
1,867.29
mp-1181934
8.657966
3.521388
-2.846
other
Mg2H32C8S8N4O32F24
110
14
1,774.67
mp-605461
8.650794
3.472766
-5.709524
other
K12U4H24C20S4N4O52
120
14
1,754.01
mp-1201707
10.983513
3.841587
-4.859887
other
Fe12P12H48C8N8O52F8
148
14
1,612.25
mp-1199092
9.461205
1.874323
-4.495424
other
Zn4P4H20C4N4Cl4O12
52
14
611.7
mp-1201024
7.417509
3.672958
-3.941838
other
Sb8H4C4S4Cl24O20F12
76
14
1,673.86
mp-1195164
8.139889
0.573909
-4.467443
other
Cu4B4P16H96C32S16F16
184
14
2,508.12
mp-1195290
7.989661
0.504805
-4.521817
other
Ga12Si20P40H144C48N16Cl44
324
14
5,703.95
mp-555067
6.507914
2.989661
-3.476127
other
As4C16S16N16Cl8O8F20
88
14
1,643.55
mp-1212071
8.15542
4.51206
-5.900341
other
K8U4C8Se4S4N4O32
64
14
1,250.1
mp-698381
8.415664
1.525515
-4.573553
other
H48Ru4C16S8N8Cl8O20
112
14
1,452.29
mp-651106
7.866621
2.38413
-1.982169
other
Fe4Sb8W4C32Se8O32F48
136
14
2,354.52
mp-698272
8.214552
2.01091
-4.66898
other
Mo12H32C16S4N8Cl24O28
124
14
2,130.53
mp-733747
8.359931
2.125696
-4.552957
other
Cd2Re4H32C8S8N16O16
86
14
1,090.39
mp-1199984
6.898314
0.648531
-3.660605
other
B44H44C16S4I40N4F4
156
14
3,402.65
mp-606304
8.770596
3.749977
-3.259238
other
Mg2H32C8S8N4O32F24
110
14
1,647.22
mp-1195729
11.378213
3.926226
-4.997926
other
Mn4B8P12H40N8Cl4O52
128
14
1,320.11
mp-1200682
8.216132
1.746304
-4.479981
other
Ag4H72C16S16Br4N32O4
148
14
1,935.19
mp-1196568
8.646298
3.362947
-3.631549
other
Sm4H40C24S24N12O68F72
244
14
3,343.63
mp-568259
7.916914
0.428134
-4.470728
other
Ta4Si8P4H72C24N8Cl24
144
14
2,157.99
mp-1182733
8.478051
3.563101
-2.47731
other
Mg2H32C8S8N4O32F24
110
14
1,744.94
mp-1221200
14.457464
7.593454
-6.022224
other
Na8Li8Mn2Fe6P8O32F8
72
14
832.92
mp-720928
8.141626
1.811607
-4.59568
other
Re4H48C8S8N16Cl20O12
116
14
1,612.91
mp-696056
5.034175
2.78759
-3.720135
other
K4H8Pt2C12S12N12O4
54
14
948.39
mp-1196358
7.879459
0.364858
-4.446752
other
P4H120Pt8C40I8N4Cl8
192
14
2,567.57
mp-555563
8.454726
1.961074
-4.589807
other
P8H48C16S16N8Cl16O32
144
14
2,149.68
mp-1202543
8.164934
0.978236
-4.524352
other
Na4H48Ru4C16S8Cl16O8
104
14
1,370.02
mp-560581
9.63767
1.743496
-3.753855
other
Li4Be4H32C4N4O4F16
68
14
621.5
mp-1202301
8.149702
0.947424
-4.354331
other
P4H72Pt4C24S12Cl4F24
144
14
1,881.24
mp-1200735
4.8181
2.385225
-3.604516
other
K4Hg2H8Pt2C12N12O4
44
14
810.42
mp-556621
8.408854
0.851781
-4.596064
other
Rb1Bi1As6H24C8S12N2
54
148
834.99
mp-24682
9.282064
2.657491
-4.276838
other
Cs1Cr1H18Br2N6Cl2O8
38
148
464.49
mp-1181575
10.10236
4.347166
-5.880142
other
K3Na8Fe1H12S6N2O36
68
148
888.85
mp-2714503
11.694674
4.043323
-8.051208
other
Na6Zn6Sn6P6S12O72
108
9
1,504.59
mp-2714343
13.130947
3.476354
-8.44225
other
Na18In6Si12Ge6S6O72
120
9
1,589.74
mp-2715233
13.650753
4.663235
-7.576364
other
Na18Al6Si6Ge6P12O72
120
9
1,392.01
mp-2712766
13.284766
3.337584
-8.647626
other
Na6La6Hf6Si6S12O72
108
9
1,784.35
mp-2715357
14.267499
4.314343
-7.519118
other
Na18La6Ti6Si6P12O72
120
9
1,711.16
mp-1221240
12.670866
6.306812
-0.427517
other
Na8Al4Ga2Si6Br2O24
46
9
743.2
mp-2714417
13.497765
4.581118
-7.528052
other
Na24Zn6Si6Ge6P12O72
126
9
1,502.03
mp-2712679
12.725713
4.200217
-7.690651
other
Na18Nb2Zn10P12S6O72
120
9
1,554.22
mp-2713304
12.939735
4.325525
-7.852723
other
Na12Ta4Zn8P12S6O72
114
9
1,521.64
mp-2715248
14.492399
3.975121
-7.762783
other
Na36Nb12Ga12Si24P12O144
240
9
3,064.36
mp-2715295
14.006656
4.417931
-7.611453
other
Na12Y4Si4Ge4P8O48
80
9
1,088.06
mp-2714363
13.780354
3.415751
-8.160014
other
Na24Mg8Nb4Si12S6O72
126
9
1,615.41
mp-2712802
12.806095
3.249198
-8.303778
other
Na18La6Mg6Si6S12O72
120
9
1,800
mp-2712796
14.307081
4.523502
-7.846464
other
Na12Ta6Ga6Si6P12O72
114
9
1,500.2
mp-2713160
11.784276
3.884614
-7.927699
other
Na12Ta2Zn10P6S12O72
114
9
1,530.54
mp-2715512
13.5745
4.580287
-7.690949
other
Na12Ga4Si4Ge4P8O48
80
9
951.88
mp-2714587
13.554163
4.47306
-7.598218
other
Na24Ca6Si6Ge6P12O72
126
9
1,600.37
mp-2715351
13.681974
4.649076
-7.557521
other
Na12Al4Si4Ge4P8O48
80
9
929.03
mp-2714464
12.626431
3.716902
-8.371973
other
Na6Ca6Zr6P6S12O72
108
9
1,689.67
mp-2715224
14.677032
4.264386
-7.553303
other
Na18Y6Hf6Si6P12O72
120
9
1,688.47
mp-2714453
13.872136
3.214845
-8.451593
other
Na18Ca6Nb6Si12S6O72
120
9
1,712.41
mp-2714534
14.212463
3.494994
-8.298273
other
Na18Hf6Al6Si12S6O72
120
9
1,535.4
mp-2712650
14.247327
4.508164
-7.785026
other
Na12Ta6In6Si6P12O72
114
9
1,580.33
mp-2712618
12.577975
4.947674
-8.105372
other
Na6Al6Ge6P12S6O72
108
9
1,309.2
mp-2712559
12.838136
3.625953
-8.681689
other
Na6Sc6Si6Sn6S12O72
108
9
1,572.17
mp-2715314
14.651373
4.136083
-7.571021
other
Na12La4Hf4Si4P8O48
80
9
1,179.35
mp-2713623
12.618108
3.512644
-8.474463
other
Na12Mg6Ti6Si6S12O72
114
9
1,507.37
mp-2715345
14.486698
4.457707
-7.505537
other
Na12Sc4Ti4Si4P8O48
80
9
1,023.35
mp-2712658
13.233495
4.37672
-8.012799
other
Na6Ca6Ta6P12S6O72
108
9
1,606.4
mp-2713587
13.326471
4.429938
-7.831525
other
Na12Mg8Ta4P12S6O72
114
9
1,516.32
mp-2716236
14.629888
4.01822
-7.517929
other
Na24Zr6Al6Si12P6O72
126
9
1,567.83
mp-2714350
12.529058
3.846592
-8.325086
other
Na6Mg6Zr6P6S12O72
108
9
1,552.18
mp-2715586
14.617693
3.742425
-7.517745
other
Na24La6Zr6Si12P6O72
126
9
1,801.18
mp-2712644
14.354215
4.410851
-7.718238
other
Na12Ca4Nb8Si6P12O72
114
9
1,620.28
mp-2715690
14.726985
4.040677
-7.553117
other
Na24Hf6Al6Si12P6O72
126
9
1,554.81
mp-2713588
11.997496
3.846665
-8.284154
other
Na12Zn6Si6Ge6S12O72
114
9
1,469.13
mp-2715732
13.905033
4.097266
-7.720629
other
Na24Ga6Si12Ge6P6O72
126
9
1,467.98
mp-2712741
13.212095
3.304775
-8.691517
other
Na6La6Zr6Si6S12O72
108
9
1,828.99
mp-2713456
12.251233
3.685177
-8.045268
other
Na12Y6Zn6P6S12O72
114
9
1,679.2
mp-2715530
11.821766
4.062681
-8.245833
other
Na6Ca6Ge6P6S12O72
108
9
1,528.62
mp-2712561
12.279149
3.516334
-8.21549
other
Na18Ta2Zn10Si6S12O72
120
9
1,591.26
mp-2714532
13.697881
3.296957
-8.176053
other
Na24Ca8Nb4Si12S6O72
126
9
1,772.22