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-1203004
13.013978
6.520766
-7.050213
other
Li18Mg6P8O32F6
70
173
714.9
mp-1213052
9.705923
10.158054
-3.818609
other
Na6Mo18P2H20O68
114
173
1,909.86
mp-1207969
4.814726
3.542135
-3.820287
other
Y2Co2C12N12O10
38
176
638.2
mp-19054
9.019567
3.540701
-7.45027
other
Ba2Mn2C2O6F4
16
176
217.87
mp-1195006
11.361459
12.270943
-2.932382
other
K4Mn6V4C2O22
38
176
549.39
mp-1208956
4.770517
3.513512
-3.788522
other
Sm2Co2C12N12O10
38
176
658.83
mp-1214567
11.833056
7.066674
-3.653074
other
Ba6Sr4As6Cl2O24
42
176
745.32
mp-698392
8.114228
0.710644
-4.537559
other
Cd2H18C6N2Cl6
34
176
511.02
mp-1208072
4.825119
3.6891
-3.892337
other
Yb2Co2C12N12O10
38
176
666.42
mp-1214802
12.08959
6.776866
0.325367
other
Ba4Sm6Si6Se2O24
42
176
636.58
mp-707787
11.246199
5.58472
-5.47257
other
Na12Te2P12H24O60
110
176
1,428.12
mp-10509
13.403511
5.104587
-2.170074
other
Ba2Ga2B2O6F4
16
176
209.18
mp-1193278
10.45854
9.869102
1.64346
other
La6Ni2W2S6O12
28
176
431.35
mp-1204736
9.225544
6.974873
-3.553726
other
Ca4Fe12Se18Cl8O54
96
176
1,705.06
mp-559642
12.481055
7.296168
0.499909
other
Ca2Zr2Al18B2O36
60
176
575.31
mp-1211028
11.735953
4.842583
-4.968226
other
Na12Te2P12H36O60
122
176
1,461.4
mp-1194532
9.449752
11.523408
-1.387656
other
Cd4Ni12Te6Pb2O36
60
176
678.02
mp-1195160
1.179947
2.212483
-5.570361
other
Al4Cu4Bi4S6Cl16
34
176
886.28
mp-866694
10.593682
9.508459
1.830511
other
La6Mn2W2S6O12
28
176
442.04
mp-1193798
10.419128
9.639989
1.641406
other
La6Fe2W2S6O12
28
176
441.4
mp-557961
3.962604
2.978397
-4.14889
other
Sb6C6N6Cl24O6
48
176
1,326.55
mp-1211666
7.137685
5.464331
-4.494738
other
Nd2C6S6O36F18
68
176
1,416.6
mp-1201950
11.402026
7.670766
-4.948136
other
Na6Sm2Mn6As6O30
50
176
674.57
mp-1214153
12.694423
6.213063
-5.21806
other
Ca4P6Pb6Cl2O24
42
176
594.98
mp-568707
-0.202955
0.728021
-3.505533
other
Cs2Pr18Nb2Br30N12
64
176
1,811.02
mp-1212475
7.643737
6.605788
-4.617859
other
Ho2C6S6O36F18
68
176
1,292.48
mp-769201
8.760692
3.727281
-6.680368
other
Li6Cu6H6C6O24
48
176
586.48
mp-1192676
10.937606
9.642242
1.547328
other
La6Co2W2S6O12
28
176
430.85
mp-866693
10.955249
9.697139
1.663921
other
La6Cr2W2S6O12
28
176
439.88
mp-11166
8.639773
3.586939
-6.934261
other
Ba2Zn2C2O6F4
16
176
212.45
mp-559971
8.995991
3.91023
-5.490752
other
Li6S12N6O24F12
60
176
857.41
mp-1213524
5.034995
3.730859
-4.039863
other
Er2Fe2C12N12O10
38
176
644.46
mp-1203724
11.316264
7.624912
-4.852509
other
Na6La2Mn6As6O30
50
176
691.79
mp-10510
13.484358
4.984968
-1.868267
other
Ba2Al2B2O6F4
16
176
193.31
mp-733590
8.798127
3.869613
-6.487339
other
Tl6Cu6H6C6O24
48
176
657.14
mp-557347
11.52819
7.163469
-3.669405
other
Ca4As6Pb6Cl2O24
42
176
672.25
mp-735488
10.708798
4.611322
-4.148518
other
Rb2Na6Mo4H36O34
82
176
1,007.08
mp-558268
12.192108
6.533298
-0.827072
other
Ca8Si12Pb12Cl4O42
78
176
1,229.09
mp-560090
9.54596
11.817704
-1.339865
other
Mn4Ni12Te6Pb2O36
60
176
656.27
mp-1211025
8.761535
7.616282
-4.71084
other
Na6Fe6B6P12O66
96
178
1,215.45
mp-1211194
8.698142
7.640129
-4.88658
other
Na6Ni6B6P12O66
96
178
1,180.55
mp-1213265
8.986647
6.405278
-5.683827
other
Na6Mg6B6P12O66
96
178
1,289.12
mp-1210507
10.280703
7.088511
-6.001647
other
Na6Zn6B6P12O54
84
178
1,204.76
mp-1211826
8.898033
6.366996
-5.562847
other
Na6Zn6B6P12O66
96
178
1,285.18
mp-554515
8.808318
3.414047
-6.189952
other
K3Sc3H12C12O30
60
180
806.89
mp-557853
9.004275
3.0187
-5.390183
other
Ti3H24C12N3O30
72
180
770.15
mp-1212421
7.714635
5.268861
-5.377531
other
Na6Zr3Cd3C24O72
108
180
1,561.13
mp-557319
9.012114
3.139541
-5.438509
other
In3H24C12N3O30
72
180
836.14
mp-557562
9.006251
3.020226
-5.392682
other
Ti3H24C12N3O30
72
181
768.25
mp-553901
8.454873
1.772306
-4.43503
other
H24Ru4N12Cl12O4
56
14
786
mp-1212280
9.866218
10.422903
-3.703517
other
Na8U4Mo8H12O44
76
14
1,271.76
mp-542813
9.798945
5.600593
-4.595632
other
K8Be4H16Se8O40
76
14
1,062.91
mp-1204430
8.036935
2.517243
-2.042664
other
As4C12S12N4F44
76
14
1,294.35
mp-1196754
10.836454
9.119686
-3.733573
other
Rb16Mo20H16Se8O92
152
14
2,511.77
mp-706303
12.13207
4.898582
-5.262469
other
K4Ca8P16H36O68
132
14
1,541.09
mp-706688
7.42549
1.498783
-4.310122
other
V4H32C40N12Cl16
104
14
1,459.21
mp-1199727
-4.154524
-2.493218
-3.434693
other
Rb8Ag8Sn4P12Se36
68
14
1,996.58
mp-1215088
10.393251
3.955215
-4.393634
other
Co2Cu2H56S4O44
108
14
972.32
mp-553890
9.996898
2.481199
-2.772855
other
Cu2Sb4H24O12F16
58
14
646.5
mp-707989
9.713712
4.384384
-4.517657
other
La4H48S8N4O48
112
14
1,591.61
mp-1200128
8.071984
1.315487
-4.495709
other
Zn4H48C16N20Cl12
100
14
1,277.25
mp-571526
4.050009
2.315108
-3.241197
other
Rb4Pt2C8Br4N8
26
14
623.23
mp-758284
11.395013
3.952909
-4.904291
other
Zn4P8H28N4O32
76
14
811.96
mp-653922
5.519064
3.384245
-4.583267
other
Co8Sn4C32Cl8O32
84
14
1,656.69
mp-1194731
-3.262037
-1.585993
-5.410444
other
Cs4Ba8Sn4S16Cl4
36
14
1,160.94
mp-1180586
10.927068
4.003811
-4.253114
other
Na12P4H48C4O44
112
14
1,147.64
mp-1201731
8.791412
1.551711
-4.422558
other
U2H32C8N4O12
58
14
541.64
mp-1198262
8.328947
0.793226
-4.527296
other
Bi4H64C16N8Cl20
112
14
1,582.86
mp-651154
8.01478
2.345644
-1.28186
other
Te16As8S20O8F48
100
14
2,153.68
mp-759552
11.85446
4.600015
-4.896208
other
Li4Cr2P8H32O40
86
14
834.19
mp-761185
12.030403
4.78612
-4.919694
other
K4P4H12O16F4
40
14
459.05
mp-698518
8.067048
0.613141
-4.485299
other
Hg8Te24H96C32N8
168
14
2,476.26
mp-1195900
8.631777
2.840227
-4.99147
other
Cd4H36C16N24O36
116
14
1,143.12
mp-1201933
8.523376
3.28167
-3.233942
other
H4C4S4O12F12
36
14
515.86
mp-1198080
9.816267
2.076883
-0.633728
other
Sr20V12H24O24F64
144
14
1,837.07
mp-759293
14.958235
7.861765
-5.553628
other
Li16Cr8P8O32F8
72
14
778.15
mp-721699
8.528598
2.663138
-4.724793
other
Ca2H32C8N20O20
82
14
847.46
mp-740758
5.674051
3.282904
-4.679791
other
H8Os16Pt4C60O60
148
14
2,479.1
mp-703545
7.77485
1.643661
-4.531757
other
Sb4H24C4N12Cl24
68
14
1,262.08
mp-510526
10.328327
4.233331
-5.174279
other
Na4Ni2H16S4O24
50
14
503.85
mp-505286
4.245138
2.319271
-3.241878
other
Rb4Na2Fe2C12N12
32
14
606.97
mp-558138
7.983845
2.297164
-1.227415
other
Te8As4C4N4F24
44
14
900.97
mp-1204393
9.382856
2.072245
-4.416223
other
Mg4H48C12S4O28
96
14
936.16
mp-24350
9.501372
3.505544
-5.612707
other
K4Co2H16C4O20
46
14
492.35
mp-1203963
6.966411
7.386746
-4.418415
other
Rb4U4Cr4N4O36
52
14
944.08
mp-722271
9.484282
2.224058
-4.403203
other
H28Ru2S4N8O12
54
14
479.88
mp-1204032
10.246661
4.580784
-5.628379
other
K4U4H12S4O32
56
14
745.31
mp-1212261
7.626129
3.090008
-1.658155
other
K4Be4Zn2O12F16
38
14
555.59
mp-542864
10.401728
4.157989
-4.89693
other
Na4Ni2H24S4O28
62
14
621.68
mp-1180715
10.125562
3.143911
-4.156926
other
Na12As4H64S16O32
128
14
1,526.71
mp-557900
8.267127
2.445992
-1.421454
other
Sb4C4S4Cl8F36
56
14
987.41
mp-1196367
7.925068
1.446739
-4.404397
other
U4As8H48C48O32
140
14
1,705.22
mp-1198533
8.927006
2.377757
-4.567364
other
Co4H48C4N20O24
100
14
995.31
mp-23716
11.959299
5.702954
-4.609622
other
Ca4Mn2As4H8O20
38
14
431.55
mp-1207713
8.616212
2.697851
-5.038465
other
Zn4H28C16N12O28
88
14
874.74
mp-1238312
8.463042
1.523071
-4.148278
other
P8H76S24N20O8
136
14
2,073.19
mp-1101667
8.443011
5.659987
-7.338907
other
Na4Mn4P4C4O28
44
14
600.13
mp-699647
5.729274
3.445638
-4.650054
other
Mn8Sn4C36Cl4O36
88
14
1,540.89
mp-1247815
12.282155
5.152448
-5.440369
other
Al4P8H16O32F4
64
14
651.07
mp-1214543
11.431034
3.89958
-5.073703
other
Ca8P16H40N8O56
128
14
1,396.29