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-1211642
-0.097326
0.776565
-3.318027
other
K4Sm8Br20
32
14
967.09
mp-978278
6.396612
0.351226
-3.542236
other
Na4B24H24
52
14
506.79
mp-1221529
-4.935745
-0.871431
-5.138273
other
Mn2Zn2S8
12
14
187.92
mp-5152
11.602554
7.217061
0.825659
other
La8Si4O20
32
14
467.46
mp-756202
-1.269071
1.929791
-1.539986
other
Ba4Sr2I12
18
14
823.46
mp-540939
-3.491616
-1.50345
-5.585328
other
Ti4Tl16S16
36
14
1,053.02
mp-768472
8.917621
5.797434
-6.43607
other
Mn8S12O48
68
14
811.91
mp-776491
13.706907
5.580244
-6.938321
other
Lu8P16O52
76
14
1,103.65
mp-29067
4.889079
2.966272
-4.042037
other
S16N16Cl8
40
14
924.83
mp-1190427
9.833077
9.521968
1.104843
other
La4Sb4O16
24
14
353.9
mp-1042794
11.00191
9.164578
-3.642937
other
Mo4As8O28
40
14
654.44
mp-732005
6.094253
5.222933
-4.42205
other
Ag4N12O24
40
14
635.55
mp-757084
9.355424
8.547848
-0.06543
other
Rb12Sb4O12
28
14
715.13
mp-652366
10.210634
8.88976
-1.921552
other
Mo8Pb40O64
112
14
2,317.19
mp-778141
6.141098
8.595714
-1.000497
other
Sm8Pb8O28
44
14
679.12
mp-4917
11.876311
7.100766
-3.958608
other
La4As4O16
24
14
333.54
mp-1219521
-6.474698
-3.037842
0.644201
other
Sb4As4Ir4
12
14
245.16
mp-1182373
6.237288
5.344374
-4.424833
other
Cd4N8O32
44
14
659.23
mp-1210465
9.319263
0.516975
0.068821
other
Na6Co2F12
20
14
231.78
mp-1200015
6.349782
5.60486
-4.553178
other
Bi24N24O108
156
14
2,345.53
mp-1100986
9.235394
9.047531
2.682415
other
Tm4Cu2O8
14
14
171.96
mp-989622
0.766382
2.456167
1.824815
other
Ba4W4N12
20
14
340.15
mp-1201857
7.829035
0.101719
-4.530413
other
Si48H288C96
432
14
5,198.48
mp-1195914
7.720002
7.993532
-3.684602
other
K4Te8O36
48
14
786.08
mp-1104590
7.152264
6.288963
-3.227468
other
Mn2I4O8
14
14
276.22
mp-758768
8.135908
4.41932
-6.572996
other
Fe8C8O28
44
14
697.95
mp-771950
6.832201
9.859253
-2.118206
other
K8Mn4O16
28
14
515.55
mp-540093
9.443294
7.89286
-6.130055
other
Co4P4O16
24
14
364.17
mp-4727
-4.363666
-3.030634
-3.65324
other
Ba8Sb16Se32
56
14
1,739.42
mp-1201824
7.786109
9.662369
-3.71272
other
Tb8Cr8O40
56
14
797.82
mp-560276
10.887352
10.85074
-3.72958
other
Ag8Mo8O28
44
14
629.54
mp-1198487
7.755121
9.654882
-3.703697
other
Gd8Cr8O40
56
14
816.21
mp-28290
10.267144
9.292844
-1.963156
other
Cd8Te8O24
40
14
604.93
mp-28012
8.24282
2.325463
-0.882729
other
Re4N4F24
32
14
507.16
mp-1178864
6.796496
6.050634
-3.532296
other
V2Br6O12
20
14
342.49
mp-765467
9.574971
1.847669
0.137476
other
Li6V4F24
34
14
578.45
mp-1203703
6.261638
5.003156
-4.65182
other
Tm4N12O36
52
14
658.87
mp-756049
10.051702
2.509578
1.611409
other
Li4V4F16
24
14
294.63
mp-1212900
-5.056474
-2.194675
-3.4439
other
Cu4Pd6Se8
18
14
325.26
mp-1213391
7.789464
9.655119
-3.73331
other
Dy8Cr8O40
56
14
793.8
mp-1202366
8.442379
8.728125
-4.036363
other
Th4Mo8O44
56
14
892.49
mp-1203679
-2.820662
-2.400967
-5.777144
other
La8Si4S20
32
14
893.14
mp-1200503
9.176318
5.214785
-5.845736
other
Pd4S8O28
40
14
551.73
mp-1210103
10.10126
10.687139
-3.883363
other
Nd4Mo4O20
28
14
458.11
mp-1029569
1.480151
2.196558
0.919499
other
Na12Ir4N8
24
14
451.6
mp-7999
12.334838
6.534317
0.198274
other
Y4Si4O14
22
14
283.47
mp-770923
8.780307
12.331028
-0.143732
other
Li20Fe4O16
40
14
413.84
mp-27180
-2.359488
-2.133194
-5.508607
other
Nd4S4Br4
12
14
344.03
mp-645158
8.105051
11.923874
1.789518
other
La4Mn4O12
20
14
333.3
mp-1177072
-5.243812
-3.985126
-2.607688
other
Li40Sb8S8
56
14
1,090.02
mp-765585
7.15898
9.229329
-0.719916
other
Ca12Tl16O36
64
14
930.39
mp-1376405
9.326025
0.699683
-0.244538
other
Ca4Ni4F20
28
14
380.46
mp-29022
-4.581666
-2.843369
-3.639366
other
K8Ge4Se16
28
14
867.61
mp-770563
14.227915
7.771336
-6.846968
other
Mn12P8O32
52
14
655.25
mp-30997
8.727444
1.59777
1.347904
other
Zr4Tl4F20
28
14
418.15
mp-28442
-3.115263
-1.003495
-5.030386
other
Tl4As20S32
56
14
1,480.92
mp-628908
1.184661
2.693938
-5.364823
other
K8I8Cl16
32
14
1,092.6
mp-1020671
6.26712
5.028073
-4.634609
other
Y4N12O36
52
14
692.8
mp-768957
1.110396
1.785457
-5.263257
other
Ba12Y8Cl48
68
14
2,527.2
mp-556776
13.160976
6.08179
-6.414342
other
Sr4P8O24
36
14
510.22
mp-653554
9.946302
9.826961
-1.872393
other
Sb16Te16O72
104
14
1,601.93
mp-1246627
2.202025
2.338719
1.397213
other
Ga4Bi4N8
16
14
283.3
mp-1019783
9.556373
4.707057
-6.155934
other
K16S16O24
56
14
1,194.4
mp-752837
9.001694
0.75149
-0.155952
other
Li4Ag4F12
20
14
259.46
mp-1213843
7.212543
7.782794
-3.752598
other
Co4S4O32
40
14
562.3
mp-31271
7.940645
4.309788
-6.016312
other
Rb8C8O24
40
14
665.19
mp-1198307
7.589131
6.986548
-4.030125
other
Bi4Se4O24
32
14
574.9
mp-18224
10.267924
8.247892
-0.06808
other
Rb12Ge4O14
30
14
612.88
mp-1020024
13.723615
4.710592
-2.470031
other
Li24B16O36
76
14
743.42
mp-1202824
8.373174
0.975293
1.730924
other
Cs8Ce8F40
56
14
1,036.54
mp-4769
13.050875
6.227528
-6.728531
other
Si4P8O28
40
14
442.26
mp-756186
10.604501
7.912679
-5.165596
other
V4B4O16
24
14
272.39
mp-541380
-3.44181
-1.361044
-5.467074
other
Rb8Sn8S32
48
14
1,377.14
mp-1193569
8.531074
6.124455
-5.859884
other
La4S4O20
28
14
390.08
mp-31016
10.142247
10.679889
3.274367
other
Ca16Nb8O36
60
14
779.26
mp-764630
7.677581
9.936222
-3.810488
other
Cr12Cu8O48
68
14
948.03
mp-771127
9.874294
8.58577
0.154655
other
Rb16Ti4O16
36
14
774.84
mp-29215
10.87044
8.917953
-3.017864
other
Te16P8O52
76
14
1,055.82
mp-755887
10.341341
7.540287
2.922168
other
La8S8O4
20
14
454.61
mp-1020721
12.48873
6.603199
-0.87045
other
Zn8Si4O16
28
14
347.17
mp-754162
9.475527
8.685803
2.861276
other
Li4Gd4O8
16
14
217.29
mp-31483
-6.042487
-7.067185
2.510682
other
Na20Tl4Sn12
36
14
1,083.68
mp-20199
-2.448867
-0.553259
-5.307149
other
P4Pb4S12
20
14
476.69
mp-728004
6.147375
5.808008
-4.443266
other
Mn4N8O40
52
14
1,125.67
mp-639900
-4.531811
-2.898213
-3.595661
other
K8Ge16Se32
56
14
1,748.38
mp-1181105
6.158247
5.446584
-4.380515
other
Hg4N4O16
24
14
447.71
mp-1219512
-5.484148
-1.041922
-3.330183
other
Ru2Rh2S8
12
14
185.58
mp-567285
-8.871427
-0.317982
2.453492
other
Ho12Ni90B36
138
14
1,452.05
mp-728527
10.134274
5.262835
-4.292368
other
Mo16H64O80
160
14
1,605.91
mp-1101613
9.887656
5.157583
-5.598845
other
Tl8S4O12
24
14
504.71
mp-756122
8.573316
8.513215
-0.179558
other
Cs12Tl4O12
28
14
728.66
mp-851090
1.096773
1.6813
-5.157388
other
Sr8La8Cl40
56
14
1,552.74
mp-1202676
8.510899
7.902851
-4.365623
other
Mg8As8O36
52
14
735.58
mp-1180706
7.720609
9.068284
-0.087125
other
La4Ta4O18
26
14
388.63
mp-29694
-0.698944
1.182758
-4.362869
other
K4Au4Br16
24
14
795.87
mp-13627
8.478833
10.771327
1.671198
other
Y12Re4O32
48
14
580.67
mp-1196672
8.275298
7.931915
-4.756349
other
Co8As8O36
52
14
696.24
mp-775274
7.915956
10.028729
-3.769005
other
K8Cr4O16
28
14
516.03
mp-22098
14.191173
7.039742
-4.59802
other
Ce4P4O16
24
14
316.09
mp-738365
7.869809
7.066855
-4.621329
other
V4P4O28
36
14
616.36