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-1255465
12.139297
7.005462
-1.403705
other
Zn2Cu2Si4O12
20
15
232.46
mp-1317623
9.945264
14.074934
-0.502985
other
Li8Cr6Co2O16
32
15
293.88
mp-680722
10.170511
7.924616
-1.872017
other
As4Pb28Cl8O34
74
15
1,504.34
mp-6809
12.350297
6.642593
-0.625284
other
Ca2Si2Sn2O10
16
15
203.49
mp-1046541
14.418596
8.041264
-3.735333
other
Mg2Ti2P2O10
16
15
181.3
mp-1260237
10.788792
7.261366
-2.021868
other
Mg6Si8Ag4O28
46
15
575.84
mp-697664
14.746582
8.114762
-5.058743
other
Li2Cr8P6O24
40
15
497.66
mp-560193
2.491607
2.922812
-4.361083
other
Sn2Se4Cl16O4
26
15
785.33
mp-1212775
10.297359
11.42916
-2.373327
other
Eu2Tl2W4O16
24
15
345.76
mp-31924
11.343622
8.014854
-7.999166
other
Li4Mn4P8O28
44
15
498.2
mp-1187813
9.028016
10.365602
-2.39794
other
Yb2Cr2Te2O12
18
15
229.19
mp-558480
13.112104
5.923578
-6.131752
other
K4P4O10F4
22
15
367.12
mp-1204523
-2.644492
-0.601498
-5.341893
other
Rb12In2P6S28
48
15
1,449.28
mp-1247735
10.052952
8.108475
-6.439789
other
Li2Cr4P6O24
36
15
440.63
mp-6217
13.509171
4.499512
-1.460917
other
La2Sc6B8O24
40
15
442.88
mp-1176577
14.06979
7.995816
-6.935807
other
Li2V2P8O24
36
15
434.57
mp-1200035
12.473302
7.1211
-6.34398
other
Cs2U4P8O32
46
15
681.87
mp-1213415
0.679793
1.748417
-5.052474
other
Cu6Hg18As12Cl18
54
15
1,469.66
mp-1180198
9.307631
3.37497
-5.713971
other
Mn2H8C4O12
26
15
253.72
mp-1046836
12.290279
11.393613
1.760079
other
Mg4Nb4V2O16
26
15
304.86
mp-1210631
10.907252
11.571073
2.481475
other
Mg2Ta4Zn4O16
26
15
301.96
mp-26904
12.291352
9.256243
-7.513986
other
Li2V4P6O24
36
15
435.03
mp-1213312
10.194861
11.320295
-2.228352
other
Cs2Eu2W4O16
24
15
340.66
mp-1209958
11.084907
11.334411
-2.049569
other
Nd2Tl2W4O16
24
15
348.19
mp-1198265
7.843465
3.372634
-1.50989
other
Zr2Cu4O24F16
46
15
572.62
mp-504476
11.311354
7.479874
-6.770265
other
Cu8P4O16F4
32
15
357.72
mp-1307944
8.325222
11.325665
2.360943
other
Ba8Ta4Mn4O24
40
15
557.12
mp-1182787
7.499411
5.001211
-5.374642
other
Na12Fe4C24O68
108
15
1,664.59
mp-759227
13.892078
7.223524
-6.003531
other
Li6Sb4P6O24
40
15
507.55
mp-752743
12.172903
7.710026
-7.95513
other
Li4Mn2P2O10
18
15
192.17
mp-755808
14.178418
7.319475
-6.841131
other
Li4Mn2P4O14
24
15
282.51
mp-26025
13.869116
7.616319
-6.906928
other
Li8Fe4P8O28
48
15
634.85
mp-1046661
8.24115
8.358406
-3.053061
other
Zn2Si2Ni2O10
16
15
170.38
mp-621943
5.557498
3.305834
-4.818068
other
Re8C12I16O12
48
15
1,278.27
mp-505647
10.85295
11.363211
-1.990005
other
K2Gd2W4O16
24
15
336.45
mp-1305992
8.562084
13.049612
-0.712833
other
Li8Ni6Sb2O16
32
15
303.36
mp-1204806
11.122778
11.190231
-2.055068
other
Ce4Bi4W8O36
52
15
706.85
mp-1194619
11.417957
11.022659
-3.789024
other
Rb8Th2Mo8O32
50
15
942.16
mp-705437
8.980455
7.910301
-5.122857
other
Li6Fe6P16O58
86
15
1,224.82
mp-707040
8.559112
1.185286
-3.757596
other
Ca2Al4H32N18
56
15
627.11
mp-857347
12.153856
7.541576
-7.160372
other
Li2Ni4P6O20
32
15
433.34
mp-778864
13.007187
7.86501
-8.072021
other
Li4Mn6P6O24
40
15
452.45
mp-1173929
7.707782
15.783889
-0.83495
other
Li4Mn2Co2O8
16
15
135.83
mp-1195277
10.514959
9.036775
-3.546519
other
Na4Mo4Se4O22
34
15
488.33
mp-1043165
11.774593
7.565016
-1.179056
other
Ca4Ni4Ge8O24
40
15
489.03
mp-643346
12.528438
5.923611
-1.866467
other
Al4Ge2H4O12
22
15
201.85
mp-1201539
11.374466
7.384062
-2.466017
other
Zn16Bi64P32O192
304
15
4,451.31
mp-1201213
13.832528
4.231857
-2.373239
other
Cs4Cd6B32O56
98
15
1,160.64
mp-1192169
7.364109
4.200121
-5.763117
other
K2Cd2C6O12
22
15
385.39
mp-753129
13.627414
7.585229
-0.747965
other
Li4Cr2Si4O12
22
15
276.74
mp-632758
10.143119
5.981137
-4.938291
other
Ca2P2H8O12
24
15
257.14
mp-721017
10.771823
4.104246
-4.045392
other
Na8Te4H40O32
84
15
894.89
mp-1198416
7.396161
6.812715
-4.477304
other
Na2Fe2S4O28
36
15
546.12
mp-542222
10.492173
4.073288
-4.977153
other
Tb4H32S6O40
82
15
821.35
mp-1210205
-2.901193
-0.188333
-4.825268
other
Nb8P4Au2S40
54
15
1,318.23
mp-26211
9.782183
7.968925
-6.233904
other
Li4Ni4P8O28
44
15
502.6
mp-1193677
11.049582
7.750421
-3.740605
other
Hg6As4H4O16
30
15
452.98
mp-1045459
9.180555
0.604361
0.258093
other
Ba4Ca2Cu6F28
40
15
556.22
mp-1214032
9.229637
5.431636
-5.520372
other
Cd6H16S6O24
52
15
890.55
mp-557230
9.6123
0.765761
0.973303
other
Na16Cr8Co8F56
88
15
1,163.83
mp-557936
9.377243
11.111056
-1.580657
other
Zn8Cu10Te6O36
60
15
701.71
mp-1043513
12.963161
8.095149
-1.004417
other
Ca4Fe4Ge8O24
40
15
506.72
mp-1211396
11.061558
11.019935
-3.663253
other
K2Nd2Mo4O16
24
15
346.73
mp-1226272
13.246414
8.140407
-6.385336
other
Cr2Ni2P2O10
16
15
169.77
mp-1046140
11.034927
11.810204
2.234838
other
Ta8Zn8Ni4O32
52
15
600.02
mp-1046556
11.243814
11.942574
-0.456826
other
Zn8Cr10Te6O36
60
15
715.94
mp-1203147
13.606812
4.91137
-6.626259
other
Na18Gd6P12O48
84
15
1,052.32
mp-758357
14.641267
7.94141
-4.538152
other
Li6Ti6P8O32
52
15
667.21
mp-1208886
13.81009
4.59795
-1.9495
other
Sm2Al6B8O24
40
15
374.86
mp-1290526
12.742406
12.76096
-0.656796
other
Li4V6Te2O16
28
15
326.89
mp-1309047
12.834162
12.481948
-0.550809
other
Li4V6W2O16
28
15
318.95
mp-558259
-2.808401
-2.299397
-5.911476
other
Pr6Si4S16I2
28
15
689.96
mp-642648
11.80675
4.896513
-5.062186
other
K2P2H4O4
12
15
182.11
mp-1197075
9.119411
8.078981
-4.295888
other
Zn6Ag2As6O24
38
15
485.98
mp-1227927
10.294034
7.074926
-2.08038
other
Ca4Al8Si16O56
84
15
1,327.26
mp-541677
11.263804
7.548458
-3.993138
other
Cd8As4O16F4
32
15
479.72
mp-554783
6.25355
5.014925
-4.591095
other
K2U2N6O22
32
15
493.84
mp-705527
5.751641
3.305259
-4.550239
other
Re8H8C32O32
80
15
1,266.1
mp-9804
8.742589
3.541233
-7.071186
other
K2Ho2C4O12
20
15
255.88
mp-18041
11.086933
11.349342
-2.084627
other
Sm2Tl2W4O16
24
15
345.14
mp-1227228
0.611785
1.832773
-2.027176
other
Ca10B2C8Cl6
26
15
510.44
mp-1290806
7.475424
13.477194
-1.141589
other
Li2Ti2Ni2O8
14
15
145.6
mp-581171
10.114179
9.626964
-2.038296
other
Co10Te8Br4O24
46
15
757.83
mp-569889
4.559333
2.756596
-3.538689
other
Cs2C6Se6N6
20
15
525.49
mp-1191297
5.876617
4.309341
-4.336336
other
Co2N12Cl4O4
22
15
382.75
mp-1238443
10.099607
4.313202
-4.904453
other
Lu4H32S6O40
82
15
860.52
mp-573677
1.837528
1.982872
1.476762
other
Ba4Li6Ta2N8
20
15
316.9
mp-753527
13.469728
7.226202
-0.784783
other
Li4Mn2Si4O12
22
15
274.64
mp-1199137
8.348977
0.824739
-4.468764
other
P4H24C8O6
42
15
539.25
mp-1213911
12.872355
7.162055
-6.846859
other
Cd2Co2P8O24
36
15
472.27
mp-1211127
9.038645
8.111714
-5.957603
other
Mn4Co6P8O40
58
15
700.03
mp-1101916
8.431685
4.688308
-4.468348
other
Na2Fe2S4O4
12
15
220.24
mp-1250134
12.519978
6.657907
-1.100045
other
Ca2Cu2Si4O12
20
15
227.25
mp-1209558
10.155555
11.377599
-2.367457
other
Rb2Eu2W4O16
24
15
346.05
mp-560468
-2.87034
-2.294267
-5.910169
other
Pr6Si4S16Br2
28
15
676.64
mp-1263932
13.60535
8.435476
-0.767141
other
Ti2Zn2Si4O12
20
15
231.33
mp-556602
8.129151
10.527414
1.200623
other
Ba6Bi2Ru4O18
30
15
465.89
mp-26865
14.097324
7.976343
-6.804393
other
Li2V2P8O24
36
15
468.62
mp-1043162
11.742656
7.629038
-1.184127
other
Mg4Ni4Ge8O24
40
15
449.26
mp-1198978
11.571548
10.985114
-3.638092
other
Ho4Sb4Mo8O36
52
15
839.14