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-757329
10.796281
8.911206
-7.383244
other
Li6V6P16O58
86
15
1,172.64
mp-572921
11.520077
7.412816
-4.161221
other
Cs4Ga6As10O36
56
15
910.99
mp-1047015
13.90617
8.179441
-0.956759
other
Zn6Si8Mo4O28
46
15
575.64
mp-1201207
13.643537
4.363104
-2.277223
other
Tm4B8H4O20
36
15
364.71
mp-26711
14.679598
8.59139
-6.343826
other
Li6V4P6O24
40
15
456.31
mp-1200330
13.805891
4.118539
-2.233398
other
Cs4K4B20O34
62
15
859.97
mp-1211297
10.923589
11.065919
-3.653902
other
K2Tb2Mo4O16
24
15
331.01
mp-768712
8.010303
14.146381
-0.847855
other
Li8Mn2Cr2O12
24
15
209.74
mp-775979
8.579217
13.578513
-0.499871
other
Li8Fe4O8F4
24
15
226.42
mp-1267433
11.510935
7.343603
-1.927454
other
Mg6Si8Ni4O28
46
15
502.18
mp-757670
13.378062
7.432552
-0.8279
other
Li8Mn4Si6O20
38
15
431.64
mp-26927
14.11825
7.25308
-7.071745
other
Li2Mn4P6O20
32
15
469.2
mp-1046497
9.488088
12.113144
-1.326061
other
Mg8Co10Te6O36
60
15
701.55
mp-705380
12.611352
8.738098
-5.90306
other
Li2Mo4P6O26
38
15
549.91
mp-1224236
9.196865
2.575608
0.796226
other
K6W4O8F12
30
15
501.19
mp-1105277
11.231891
4.349531
-6.712066
other
Al2H2S2O10
16
15
160.67
mp-1199680
9.87566
2.051393
1.862879
other
Na16V8Fe8F56
88
15
1,204.28
mp-1282761
11.325858
13.73276
-1.354204
other
Li4V4Ga4O16
28
15
297.97
mp-1219612
6.295152
3.650631
-4.030783
other
S20N8O8F4
40
15
801.7
mp-643564
10.682243
4.411893
-5.753109
other
Fe4H8S4O20
36
15
383.66
mp-1236984
8.85834
5.706304
-6.524224
other
Na2Mg4S6O24
36
15
490.69
mp-573202
-3.680914
-1.060606
-5.301363
other
K6Ta4Ag6S16
32
15
940.79
mp-6194
8.607025
3.727671
-7.004576
other
K8U2C6O22
38
15
607.99
mp-1190668
4.218562
3.879448
-3.906056
other
Co2Br4N12O4
22
15
456.08
mp-559196
14.706287
7.855125
-5.327827
other
Ca4Cr8P8O32
52
15
670.13
mp-556581
14.375182
8.317544
-5.15847
other
Fe8P4Cl4O16
32
15
453.81
mp-556756
11.043877
8.212156
-2.751146
other
K4Sb8P4O32
48
15
655.17
mp-1379023
9.187493
0.947094
0.260075
other
Ba4Cr4Cu2F28
38
15
578.84
mp-1305455
7.824357
12.873636
-1.254709
other
Li4Ni6Te2O16
28
15
299.59
mp-1101551
11.402277
8.113312
-8.140418
other
Li6Mn6P8O32
52
15
667.53
mp-1228250
8.763592
10.079926
2.266844
other
Ba6Ho4Mo2O18
30
15
476.63
mp-561454
8.911041
5.56652
-5.840401
other
K2Au2S4O16
24
15
332.79
mp-721426
11.196388
4.07796
-4.359111
other
Na4P4H28O24
60
15
571.86
mp-758031
13.788256
6.977093
-6.305782
other
Li8Sn2P12O36
58
15
727.93
mp-756990
13.103064
7.477472
-7.510146
other
Li4Cr2P6O20
32
15
392.41
mp-582657
-5.679842
-2.385392
-1.953541
other
Ti8Te18I8O2
36
15
1,194.63
mp-1182035
9.644555
6.982049
-6.043735
other
Ca2Zn4P4O20
30
15
426.38
mp-759540
14.270315
7.598049
-7.066894
other
Li8Mn16P16O60
100
15
1,407.58
mp-558198
10.442573
4.228635
-7.197896
other
Na4Cd2S4O16
26
15
342.07
mp-1042953
12.509631
8.040109
-0.807288
other
Ca2Sn2Ge4O12
20
15
296.48
mp-1192591
12.383207
6.19627
-6.296783
other
Sn2P4H4O16
26
15
317.13
mp-1195538
-4.176967
-2.597605
-3.341491
other
K8Sc4P8Se28
48
15
1,478.16
mp-1199761
10.409845
4.058377
-4.917814
other
Lu4H32S6O40
82
15
821.15
mp-1211449
10.945477
11.06194
-3.635482
other
K2Ho2Mo4O16
24
15
326.27
mp-26869
13.442451
7.974854
-7.458002
other
Li6Cr4P6O24
40
15
418.12
mp-1203651
9.80841
8.166333
-4.903686
other
Co6Ag2As6O24
38
15
475.76
mp-556837
-1.560198
0.011686
-4.719907
other
Ag2As2S32F12
48
15
1,196.31
mp-654165
4.223725
2.198726
-3.230798
other
Tl16Mo4C32N32
84
15
1,601.73
mp-1307386
6.992147
15.830699
-1.10583
other
Li8Ti2Co6O16
32
15
293.66
mp-1281818
8.432981
11.547216
2.297879
other
Sr8Mn4Nb4O24
40
15
524.65
mp-759128
13.95064
7.214599
-5.801787
other
Li6Sb4P6O24
40
15
539.53
mp-1197562
13.594081
4.768486
-1.598597
other
Pr8B8O22F4
42
15
474.44
mp-1318887
10.533076
13.894887
-0.488272
other
Li4Ti2Cr6O16
28
15
297
mp-1191418
-5.526494
-3.552737
-2.262797
other
Rb8Sn2Te8O4
22
15
875.33
mp-1275240
8.37181
11.293265
2.345732
other
Ba8Mn4Nb4O24
40
15
560.86
mp-1190561
10.835016
11.438589
-2.096735
other
K2Tb2W4O16
24
15
318.2
mp-765286
13.175701
6.779786
-6.820411
other
Li2Sn2P8O24
36
15
457.92
mp-1203850
7.046082
8.238733
-3.024064
other
Ca6Al4S2O32
44
15
656.87
mp-758615
13.630075
7.811222
-0.793622
other
Li8Cr4Si6O20
38
15
427.54
mp-2714432
15.026124
3.769745
-7.715615
other
Na12Nb12Si18O72
114
15
1,594.14
mp-1045598
14.501277
7.76183
-4.826395
other
Mg2Ti2P8O24
36
15
453.88
mp-646967
13.474465
5.433904
-6.415816
other
Ca18Mg18P24O96
156
15
2,000.22
mp-567658
1.7613
1.935869
1.460951
other
Ba4Li6Nb2N8
20
15
317.05
mp-556540
11.35804
7.647454
-7.510971
other
Na6Fe6P8O32
52
15
688.77
mp-1195447
11.381163
10.951567
-3.623295
other
Rb16Th2Mo12O48
78
15
1,501.93
mp-10928
4.648586
2.670424
-3.532374
other
Ba2C4S4N4
14
15
320.91
mp-706709
13.026014
5.561038
-6.013276
other
Al8P6H6O30
50
15
491.43
mp-1224392
13.012751
5.600461
-6.292097
other
K12In4P8O32
56
15
904.51
mp-1194428
3.947745
3.908325
-4.222234
other
Sr2Sn4Cl12O10
28
15
801.48
mp-643898
12.571939
5.444993
-5.715154
other
Ca2P4H4O14
24
15
296.62
mp-759982
9.767591
7.94772
-6.264081
other
Li4Ni4P8O28
44
15
511.33
mp-554750
11.334476
10.99297
-3.527887
other
Rb12U2Mo8O36
58
15
1,183.95
mp-1197331
7.726248
0.203786
-4.461018
other
Ho2Al6H72C24
104
15
1,289.93
mp-1203766
9.395352
1.455341
1.734296
other
Ho10B4O12F18
44
15
507.91
mp-1105719
8.799173
1.284781
-0.311045
other
K4Cr2O2F10
18
15
311.02
mp-1194190
7.653253
10.399089
0.826678
other
Ba6Bi2Ir4O18
30
15
467.95
mp-1290397
11.280283
12.8427
0.431037
other
Li8Ti4Fe4O16
32
15
309.22
mp-1210907
13.055998
6.458423
-6.405944
other
Mg6Cu4P6O24
40
15
429.93
mp-735524
11.457395
4.752826
-5.058936
other
V2P4H12O12
30
15
323.76
mp-1211992
-2.545053
-0.663258
-5.382885
other
K18Nd2P8S32
60
15
1,624.82
mp-1213869
12.921281
8.191918
-1.654379
other
Ca4V4Si4O20
32
15
374.45
mp-1216023
9.495456
11.871382
-0.942827
other
Zn6Ni8Sb4O24
42
15
480.74
mp-1302799
9.764799
13.771929
-0.442367
other
Li6Mn6Te2O16
30
15
341.04
mp-1209114
10.861975
11.019567
-3.592439
other
Rb2Tm2Mo4O16
24
15
326.63
mp-1041035
14.581406
8.626726
-3.842538
other
V8Zn4P8O32
52
15
618.24
mp-23966
9.844603
5.586601
-4.54918
original
Mg2H4Se2O10
18
15
202.61
mp-24298
11.439717
4.89529
-5.400938
other
P4H8Pb2O8
22
15
294.23
mp-753293
12.009097
7.483162
-7.640556
other
Li4Ni2P4O14
24
15
282.2
mp-753441
10.880027
0.002475
0.182956
other
Li4Mn4O2F12
22
15
266.54
mp-1214468
7.760989
6.594566
-4.390024
other
Ca2Mg2B12O44
60
15
794.46
mp-1192689
9.121867
2.015949
-4.551209
other
H12C4S2O8
26
15
345.19
mp-21213
12.075965
7.899717
-1.083142
other
Na2Cr2Ge4O12
20
15
239.67
mp-760779
12.007324
8.879155
-7.89701
other
Li10V6P16O58
90
15
1,155.27
mp-772597
6.748843
13.345278
-1.338548
other
Li4Cu2Ni2O8
16
15
146.7
mp-1046115
11.708323
11.639762
2.064617
other
Ta8Zn8Fe4O32
52
15
616.12
mp-1207513
9.710658
11.074854
-2.71097
other
Yb2Tl2W4O16
24
15
335.57
mp-1199237
11.567903
11.011124
-3.628275
other
Pr4Sb4Mo8O36
52
15
906.12
mp-1210638
11.547924
11.069072
-3.458503
other
Na6Cu4Mo6O24
40
15
576.42
mp-727920
10.949641
7.905118
-7.200492
other
Sr4V2P6O24
36
15
493.01
mp-541917
10.38511
9.565593
-1.943105
other
Na4Te8W2O24
38
15
571.48