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-1041219
12.394298
6.511738
-5.622996
other
Ca2Bi6P6O26
40
11
661.12
mp-1377229
12.453172
11.061902
0.751647
other
Ta2Zn4Mo2O12
20
11
228.76
mp-1013898
14.169242
8.977102
-4.298554
other
Li2Mo6P6O26
40
11
553.65
mp-1642125
12.913251
7.764567
-6.553973
other
Co4Sb4P8O32
48
11
625.34
mp-1346992
7.249259
9.722187
0.141209
other
Ca4Ta2Ag2O12
20
11
266.36
mp-1211031
8.614343
1.79829
0.553761
other
Lu2Be2N2F12
18
11
260.96
mp-1370720
12.006472
10.682236
-0.713176
other
Zn4Sb2Mo2O12
20
11
234.76
mp-1101213
12.026194
8.916995
-7.339027
other
V2Ni2P4O16
24
11
277.77
mp-18082
11.763705
10.052047
2.497775
other
Sm6Ti6Se4O16
32
11
476.75
mp-1204192
11.166831
10.477582
-2.976371
other
Ba4V4Te4O22
34
11
580.77
mp-1346697
10.910237
10.351257
1.917018
other
Ca4Ti2Sb2O12
20
11
250.31
mp-1041149
13.805153
7.489075
-5.215586
other
Mg2Sb6P6O26
40
11
621.82
mp-1372141
8.673863
10.582254
0.822748
other
Ca4Fe2Sb2O12
20
11
242.73
mp-734012
12.131612
6.658943
-0.896861
other
K8Lu4Si16O44
72
11
1,105.56
mp-1368037
7.802849
9.628232
-3.167675
other
Mg2V2Bi2O12
18
11
322.09
mp-1181318
9.608582
6.510689
-5.919805
other
Ga2P2N2O10
16
11
239.29
mp-1222623
7.943968
10.930391
2.388312
other
Li2La6Mn2O14
24
11
307.32
mp-1203251
8.498528
1.215963
-4.258739
other
H18Rh2N6Cl6
32
11
388.06
mp-758370
14.23317
7.693487
-5.537388
other
Li4P10W2O30
46
11
638.33
mp-558360
-2.120435
-0.318115
-5.033632
other
Al2As6S10Cl8
26
11
782.77
mp-1331730
9.80162
9.302501
0.671582
other
Ca4Bi2Sb2O12
20
11
283.89
mp-1101811
10.87353
3.87514
-3.324536
other
Er2H4Cl2O4
12
11
142.97
mp-1209229
8.654635
0.966347
1.758851
other
Rb2Ho2Be2F12
18
11
253.66
mp-1372293
7.966147
10.380114
0.313934
other
Ca4Cu2Sb2O12
20
11
251.13
mp-6384
9.086842
4.966169
-5.467085
other
Rb2S2O4F2
10
11
207.59
mp-1225720
12.681248
6.853876
-0.956503
other
Dy6V2H6O16
30
11
339.96
mp-1194848
10.878531
12.120814
-3.801534
other
Cs4Ta4V8O32
48
11
870.22
mp-1211352
8.374483
1.274906
0.151638
other
K2Yb2Be2F12
18
11
256.49
mp-760008
12.069495
7.483293
-7.848871
other
Li12Fe4P8O32
56
11
573.47
mp-1200457
12.00556
7.686437
-4.447675
other
K2Mn12As14O48
76
11
1,043.73
mp-1377373
7.699619
11.240512
1.532032
other
Ca4Ta2Co2O12
20
11
239.36
mp-757268
14.625408
8.256655
-6.823327
other
Li12V4P8O32
56
11
649.62
mp-555910
8.616956
7.487503
-2.925588
other
Li4Yb10B6O26
46
11
561.62
mp-1347006
10.302867
11.536854
-0.34376
other
Zn4Cr2Sb2O12
20
11
214.71
mp-1212016
8.65399
5.83354
-6.036136
other
K4Ca2S4O18
28
11
432.68
mp-504371
12.264261
7.531921
-7.056108
other
Li2Ni12P14O48
76
11
846.69
mp-1013878
14.207232
9.042282
-6.574122
other
Li2V6P6O26
40
11
499.06
mp-26765
14.673531
8.651775
-3.966523
other
Li2V12P14O48
76
11
918.71
mp-557195
10.590199
11.283456
3.166831
other
K4Ca8Nb12O40
64
11
924.75
mp-1567479
13.818133
13.097659
-0.758416
other
Li6V4O8F4
22
11
241.15
mp-6075
13.753776
4.212192
-2.112288
other
Ba4Li2B10O20
36
11
436.54
mp-755844
12.658048
7.656454
-6.284885
other
Ni4Te4P8O32
48
11
615.4
mp-1192209
11.327065
7.716711
-2.80368
other
As6Pb4Br2O12
24
11
472.35
mp-556158
11.997874
7.671674
-4.432126
other
Rb2Mn12As14O48
76
11
1,049.5
mp-859103
12.530449
7.47776
-7.092303
other
Li2Ni4P10O30
46
11
558.37
mp-758130
14.457707
8.483054
-6.689618
other
Li4V4P8O28
44
11
502.66
mp-554896
8.300287
2.339984
-0.801503
other
Sb2Xe4O2F30
38
11
652.46
mp-26777
13.34967
7.716914
-7.299642
other
Li4Cr4P8O28
44
11
470.17
mp-696949
10.229233
9.479503
-1.538536
other
Li6Te2H2O8
18
11
223.73
mp-1342645
11.356514
10.648987
1.552367
other
Mg4Ti2Sb2O12
20
11
221.22
mp-1210908
13.393848
5.032399
-1.066244
other
Li4Lu10B6O26
46
11
515.51
mp-1211447
8.746566
1.038417
1.682972
other
K2Er2Be2F12
18
11
229.19
mp-6560
9.051384
5.027579
-5.348426
other
K2S2O4F2
10
11
185.9
mp-726219
2.823872
3.213015
-4.082988
other
Cs2La2Cl8O6
18
11
544.33
mp-1012791
14.192354
8.963692
-6.506619
other
Na2V6P6O26
40
11
503.16
mp-1345547
9.98617
12.300416
1.610569
other
Mg4Ta2Fe2O12
20
11
214.32
mp-755148
12.488269
7.493076
-6.708752
other
Cu2Sb2P4O16
24
11
312.38
mp-556007
9.120893
0.849318
1.102641
other
Ba4Co4Cl2F14
24
11
398.19
mp-754291
12.524659
7.539702
-6.638189
other
Ni2Sb2P4O16
24
11
308.2
mp-1040985
8.741835
7.931917
-4.944667
other
Mg2Ag6P6O26
40
11
541
mp-1211247
8.667295
1.034654
1.714314
other
K2Y2Be2F12
18
11
249.14
mp-1106311
11.038321
5.213406
-6.630527
other
Ga2P2N2O10
16
11
191.81
mp-1194557
12.510199
6.532645
0.027107
other
Ba2Lu4Si6O20
32
11
430.98
mp-755025
12.050935
8.958437
-7.35359
other
V2Cu2P4O16
24
11
281.24
mp-1195838
7.873764
7.201878
-4.12984
other
Cs2Ca2Se6O24
34
11
608.43
mp-9780
-5.904805
-3.436614
-1.816518
other
Rb2Hf2Ag2Te6
12
11
402.41
mp-1219526
9.80155
1.867191
-3.627994
other
Sb2H16N4F10
32
11
335.08
mp-721713
8.273764
1.041309
-4.280352
other
H24Pd2I16N8
50
11
1,087.63
mp-1212794
10.352875
7.929552
-4.306152
other
Fe2As4Pb4O18
28
11
404.39
mp-1376265
8.215326
11.909484
0.283513
other
Mg4Ta2Ni2O12
20
11
206.97
mp-1339909
8.145438
11.898781
-1.012711
other
Zn4Ni2Sb2O12
20
11
212.14
mp-1208069
8.499889
1.829584
0.203354
other
Tm2Be2N2F12
18
11
257.21
mp-24067
10.666913
7.367565
-4.975224
other
V6H8N2O16
32
11
350.15
mp-756522
12.629449
7.56541
-6.690353
other
Cu2Te2P4O16
24
11
318.13
mp-1209222
8.737943
0.955296
1.695054
other
Rb2Lu2Be2F12
18
11
243.95
mp-1182031
9.014415
7.611304
-2.844747
other
Ca2Al4Si4O20
30
11
331.89
mp-757317
13.386511
7.671843
-7.501489
other
Li6Cr2P4O16
28
11
304.06
mp-1190122
2.586094
3.187577
-4.312606
other
Cs2U2Cl8O6
18
11
505.67
mp-1013830
9.257519
8.141635
-5.980084
other
Na2Co6P6O26
40
11
483.69
mp-1353875
13.819911
6.884994
-5.650421
other
Ca2Sn6P6O26
40
11
586.1
mp-752800
12.988878
7.653969
-7.152321
other
Ti4Co4P8O32
48
11
587.79
mp-1208430
-5.054472
-2.239777
2.78648
other
Ta12Nb6Te4S6
28
11
535.82
mp-570706
-5.164856
-2.825762
-3.918458
other
Cs2Ti2Cu6Se8
18
11
456.54
mp-1372505
12.318171
10.503006
1.333267
other
Ca4Ta2W2O12
20
11
256.4
mp-554286
10.620024
7.826969
2.731418
other
La12Ti4S16O10
42
11
840.05
mp-1194079
13.248937
5.45619
-6.094205
other
K6Lu2P4O16
28
11
415.49
mp-550564
9.988244
9.85633
-2.14952
other
Co4Te2Cl4O6
16
11
280.71
mp-555013
8.399062
3.911862
-6.673598
other
Tl6C2O6F2
16
11
316.01
mp-505189
12.199674
9.08642
-5.256639
other
Sr2Mo6P4O28
40
11
556.72
mp-1370378
8.269064
12.067929
-1.0371
other
Zn4Co2Sb2O12
20
11
214.64
mp-1182713
9.30528
10.23163
-3.291036
other
K14As4W16O78
112
11
1,993.22
mp-1209085
1.593076
2.395588
-3.699822
other
Sn2H2Br6N2
12
11
385.61
mp-10382
-4.06787
-2.638527
-3.495343
other
K2Eu2P2Se8
14
11
417.61
mp-1369271
11.133305
10.667721
1.117858
other
Ti2Zn4Sb2O12
20
11
222.55
mp-1348043
11.975642
11.599476
0.815963
other
Mg4Ta2V2O12
20
11
214.83
mp-753543
14.567212
8.384452
-5.509044
other
V4Sn4P8O32
48
11
615.54
mp-1331701
11.631505
10.308499
1.770993
other
Mg4Ta2Sn2O12
20
11
236.15
mp-1209982
10.826453
10.893603
-3.996119
other
Na2Mo2O6F2
12
11
172.16
mp-1204561
10.090008
7.167913
-2.048853
other
Sr6Ti2Si8O30
46
11
659.05
mp-1194564
3.803813
3.254001
-3.900827
other
Co2Hg2N12Cl10
26
11
711.58