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-646878
-3.965943
-1.375351
-5.704269
other
In32Sn8S32
72
205
1,968.07
mp-22524
13.599895
5.556662
-6.736394
other
Ce4P8O28
40
205
688.39
mp-559835
8.723491
1.568199
0.932088
other
Ba8Ta8F56
72
205
974.18
mp-1029568
0.844836
2.653552
1.774706
other
Ba12Cr24N48
84
205
1,275.23
mp-1029918
0.801361
2.457215
1.788596
other
Ba12V24N48
84
205
1,307.93
mp-1105641
11.188942
4.655516
-4.381299
other
In4H4O8
16
205
156.9
mp-1246716
0.712881
2.437101
1.80531
other
Sr12V24N48
84
205
1,180.66
mp-1198726
6.378811
0.350522
-3.538868
other
Li8B48H48
104
205
895.75
mp-23476
0.894958
1.865621
-5.02667
other
Cd28P16Cl24
68
205
1,729.45
mp-1200136
13.599143
5.970573
-7.626125
other
Ti4P8O28
40
205
537.9
mp-1029502
1.413573
2.097172
2.010039
other
Ba12Nb24N48
84
205
1,426.04
mp-1246562
0.738646
2.640581
1.81239
other
Ca12Cr24N48
84
205
1,069.59
mp-1198802
6.732904
7.227828
-3.500828
other
Zn4Br8O48
60
205
879.14
mp-554326
10.73424
12.198438
-3.846563
other
Zr4V8O28
40
205
714.22
mp-628768
-4.642134
-2.633417
-4.010057
other
In32Sn8Se32
72
205
2,203.49
mp-770092
14.513162
5.383082
-7.778891
other
Hf4P8O28
40
205
590.21
mp-1208592
14.57533
7.73882
-5.065416
other
Ta4P8O28
40
205
590.38
mp-556528
-4.028648
-1.352587
-5.678259
other
In32Ge8S32
72
205
1,862.66
mp-567334
5.132108
2.536935
-3.590115
other
Ag8B48Cl48
104
205
1,920.52
mp-1200829
8.320645
1.860556
-0.24062
other
Na4Sb4F24
32
205
583.24
mp-14246
-3.529651
-1.627581
-5.823498
other
Ba12Al24S48
84
205
2,063.94
mp-1214272
1.125149
2.285687
-5.28006
other
Cd32As16Cl24
72
205
1,968.16
mp-1246989
0.820177
2.390281
1.755109
other
Ba12Ru24N48
84
205
1,391.68
mp-28585
1.074911
2.164439
-3.773454
other
Nb24I8Cl48
80
205
2,074.86
mp-1196434
-5.820318
-3.449779
-1.926619
other
K60Fe24Te60
144
205
5,114.33
mp-13827
13.82233
4.326774
-2.193963
other
Ca12B24O48
84
205
750.7
mp-1214071
6.737241
7.479154
-3.47701
other
Co4Br8O48
60
205
904.81
mp-17887
13.216313
5.953031
-7.210057
other
Sn4P8O28
40
205
582.25
mp-1245948
0.423459
2.44227
2.006153
other
Ca12Mn48N48
108
205
1,201.25
mp-1202504
-3.704867
-5.52838
5.356705
other
Rb28Na4Si32
64
205
2,231.78
mp-5024
14.205434
5.433486
-7.63781
other
Zr4P8O28
40
205
604.87
mp-505679
10.672998
12.29837
-3.905155
other
Hf4V8O28
40
205
697.23
mp-540850
8.600126
1.964405
-0.655589
other
Tl4P4F24
32
205
463.24
mp-768489
10.646533
11.395819
-0.845275
other
Mg24W8O48
80
205
988.21
mp-836407
5.621391
3.625772
-4.492847
other
Ni8C32O32
72
205
1,339.56
mp-30958
-2.895625
-1.078997
-5.486236
other
Ca12B24S48
84
205
1,423.62
mp-13673
-7.952676
-6.093081
2.391561
other
Na8Si8Au24
40
205
721.5
mp-556672
9.146941
7.065538
-3.517859
other
Sn4Se8O24
36
205
558.29
mp-1194990
-7.521614
-3.38075
2.099962
other
Sr4P8Pt24
36
205
618.34
mp-1201505
-2.294626
1.222886
-4.177923
other
Re24Se32O24
80
205
2,104.28
mp-21946
-3.639406
-1.666795
-5.407556
other
K36Co8S28
72
205
2,109.08
mp-1029505
0.558936
2.407062
1.941469
other
Ba12Mo24N48
84
205
1,406.48
mp-1200750
8.783241
1.300548
-4.297136
other
H24N8Cl8
40
205
495.14
mp-1209862
8.293721
2.245321
-1.047902
other
P4N4F24
32
205
451.34
mp-530545
-4.730546
-2.706893
-4.003712
other
In32Ge8Se32
72
205
2,120.2
mp-3142
6.268668
4.934274
-4.477217
other
Ca4N8O24
36
205
423.78
mp-531297
-3.959631
-1.34897
-5.918897
other
Ga32Ge8S32
72
205
1,575.94
mp-28590
-0.667626
1.963465
-3.726664
other
Hg32As16I24
72
205
2,403.77
mp-2646940
5.365078
-0.476234
-2.945166
other
Lu8B24H96
128
205
1,197.68
mp-14216
11.124156
7.777001
-1.078854
other
Ga32Pb36O84
152
205
2,558.39
mp-1199908
-3.722367
-5.662297
5.125608
other
Cs28Na4Si32
64
205
2,523.52
mp-28936
8.918747
2.195632
0.240713
other
Cs8Mo8F56
72
205
1,177.19
mp-1245356
0.815551
2.807248
1.697741
other
Cr24Pb12N48
84
205
1,190.99
mp-1201141
6.357218
5.043875
-4.62639
other
Be32N48O152
232
205
2,730.85
mp-2646929
5.419981
-0.412553
-3.04984
other
Ce8B24H96
128
205
1,464.44
mp-542070
6.303067
5.01562
-4.601727
other
Mn4N8O24
36
205
447.15
mp-1246824
2.10293
2.148301
1.193137
other
Ba12Sb24N48
84
205
1,528.94
mp-561687
9.025997
2.174962
0.554525
other
Cs8W8F56
72
205
1,180.42
mp-1245353
1.880423
2.210752
1.039504
other
K56V8N32
96
205
2,115.98
mp-1245361
1.791137
2.188585
1.311906
other
Li56Ir8N32
96
205
937.28
mp-1246211
0.635925
2.47078
1.827219
other
Ca12V24N48
84
205
1,055.57
mp-3393
10.976789
7.931706
2.227677
other
Sr72Al48O144
264
205
4,095.93
mp-1211084
6.727398
7.15411
-3.581128
other
Mg4Br8O48
60
205
932.2
mp-13875
11.905931
7.574063
-0.029458
other
Al32Pb36O84
152
205
2,444.18
mp-978526
7.957769
0.269097
-4.443369
other
Si8H96C32
136
205
1,173.9
mp-571369
5.373865
-0.478992
-2.981142
other
Y8B24H96
128
205
1,269.83
mp-770542
10.166601
8.153161
-6.885098
other
Mn4P8O28
40
205
509.16
mp-1246067
0.737373
2.382409
1.742375
other
Ba12Os24N48
84
205
1,401.86
mp-1209600
-4.42864
-7.227086
2.831657
other
Rb4Na8C4
16
205
502.26
mp-1201899
10.667924
9.516706
-1.916778
other
U8Te24O64
96
205
1,488.15
mp-4157
6.30346
4.992284
-4.43451
other
Sr4N8O24
36
205
466.47
mp-1245805
1.651353
2.27678
1.557212
other
Li56Mo8N32
96
205
942.59
mp-29043
-0.851294
1.972284
-3.721744
other
Hg32Sb16I24
72
205
2,691.84
mp-30951
-1.3061
2.221984
-2.535886
other
Cs4Ti8I28
40
205
2,012.15
mp-8878
13.71999
4.213008
-2.200505
other
Sr12B24O48
84
205
783.72
mp-28914
-0.104592
1.523479
-4.040977
other
Cd32P16Br24
72
205
1,951.36
mp-560273
9.894393
11.566163
-2.334307
other
Cu24W8O48
80
205
975.73
mp-4446
10.363099
8.100655
1.434107
other
Sr72Ga48O144
264
205
4,334.55
mp-1200271
-6.894651
-3.719633
0.235116
other
Ag8Pd24Se8
40
205
675.81
mp-4396
6.275922
4.987644
-4.507961
other
Ba4N8O24
36
205
541.97
mp-1247099
0.812463
2.626159
1.789974
other
Sr12Cr24N48
84
205
1,168.11
mp-4604
1.660115
2.373789
1.592064
other
Li56V8N32
96
205
857.22
mp-29078
-0.440809
1.314737
-4.333932
other
Hg32As16Br24
72
205
2,211.68
mp-33528
14.602226
7.704401
-5.074538
other
Nb4P8O28
40
205
605.01
mp-1029619
0.712795
2.248281
1.836737
other
Ba12Re24N48
84
205
1,371.95
mp-1213509
6.687284
7.156085
-3.494483
other
Cu4Br8O48
60
205
900.41
mp-772617
6.213305
5.066162
-4.508356
other
Zn4N8O24
36
205
419.13
mp-760361
8.63139
1.526062
-4.265102
other
H24N8Cl8
40
205
632.47
mp-1245357
0.831128
2.57144
1.607323
other
Ba12Mn24N48
84
205
1,236.98
mp-13674
-8.492184
-6.18921
2.245686
other
Na8Ge8Au24
40
205
750.05
mp-27528
-1.033605
2.529079
-2.983734
other
Cd32As16I24
72
205
2,357.18
mp-773455
10.536644
11.96856
-3.918388
other
V8Sn4O28
40
205
679.78
mp-2646967
5.472568
-0.432564
-3.087334
other
La8B24H96
128
205
1,511.42
mp-4759
10.529904
9.356565
-1.930382
other
Zr4Te12O32
48
206
730.98
mp-752450
-1.283412
1.936148
-1.602685
other
Ba8Sr4I24
36
206
1,873.21
mp-1200706
8.486965
2.365339
-0.889799
other
Sb4O4F24
32
206
452.58
mp-13944
2.326977
2.195887
1.552817
other
Li24Al8N16
48
206
418.01
mp-766506
-4.385498
-1.520776
-5.846539
other
Li24Cu8S16
48
206
713.39
mp-1245736
1.097123
2.264518
2.036196
other
Li24Mo8N16
48
206
474.31
mp-1246635
1.539495
2.27206
1.589202
other
Li24Mn8N16
48
206
428.02