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-1239118
10.977959
4.466468
-3.849022
other
Cs2Li4H6O6
18
11
243.82
mp-1195911
8.477488
7.773322
-2.410809
other
Sr2Yb8Si10O34
54
11
749.31
mp-556292
9.015971
0.777303
0.916486
other
Ba4Ni4Cl2F14
24
11
387.87
mp-1041169
9.471082
7.783442
-5.939923
other
Mg2Cu6P6O26
40
11
460.55
mp-1239233
-5.008988
-0.493268
-5.402359
other
Hf2Cr2Cu2S8
14
11
250.76
mp-1344257
8.269636
11.247042
0.133577
other
Mg4Ta2Cu2O12
20
11
210.59
mp-1102075
11.114136
4.115919
-3.143471
other
Tb2H4Cl2O4
12
11
145.25
mp-1214659
10.140381
11.854793
-3.775084
other
Ba4V4Fe2O18
28
11
430.07
mp-772100
14.029788
7.529406
-6.285079
other
Cr4Sn4P8O32
48
11
630.61
mp-16799
11.017012
12.031567
-3.275959
other
K6Nd2V4O16
28
11
468.75
mp-863030
-2.547813
-0.350485
-4.637625
other
B2P8S6Br6
22
11
639.28
mp-1214281
10.762373
7.444185
-2.816764
other
Ca4Mn6Si6O28
44
11
523.31
mp-1340585
9.715665
12.67586
0.910121
other
Ta2Zn4Fe2O12
20
11
216.84
mp-1202393
12.901999
5.412019
-2.084018
other
U2Al8B6O28
44
11
537.27
mp-1190356
9.075134
7.710348
-5.204823
other
Ti2P4N2O16
24
11
374.73
mp-850438
10.640247
8.960366
-4.149962
other
Li2V2Ge2O10
16
11
201.97
mp-1041145
12.315721
6.518564
-5.734739
other
Mg2Bi6P6O26
40
11
648.25
mp-25247
10.95752
11.132584
-3.920811
other
Fe2Mo2Cl2O8
14
11
257.59
mp-1326240
11.269897
12.09015
1.614479
other
Ta2Zn4Cr2O12
20
11
213.84
mp-22042
12.850431
7.522355
-7.001308
other
Li2Co4P6O20
32
11
358.68
mp-1239258
-5.218134
-0.166332
-5.577126
other
Ta2Cr6Cu4S16
28
11
568.31
mp-1189974
4.806769
1.993401
-2.540805
other
Li2La2C4N8
16
11
207.55
mp-1188838
12.223306
5.000632
-5.209088
other
Cs2P2H4O8
16
11
249.58
mp-1378723
10.962612
10.277265
1.372146
other
Ta2Zn4Bi2O12
20
11
251.03
mp-1210232
11.573073
9.134638
-5.105891
other
Na2Mo6P4O28
40
11
562.53
mp-1106012
7.824084
6.624128
-4.876054
other
Na2Mg2S2O14
20
11
319.5
mp-1238858
-5.401151
-0.137548
-5.692137
other
Ta2Cr6Ag4S16
28
11
504.28
mp-1197531
7.336929
6.858188
-4.070585
other
Cd4Se6N4O30
44
11
736.06
mp-25955
11.393621
8.007414
-8.022826
other
Li4Mn4P8O28
44
11
499.72
mp-1221126
8.42847
11.693093
-0.836332
other
Na2Cd2Rh8O16
28
11
312.83
mp-773399
12.058674
7.463915
-7.868161
other
Li6Fe2P4O16
28
11
287.84
mp-1019806
13.284566
5.954317
-6.553839
other
K2Mg12P14O48
76
11
875.54
mp-757451
12.042146
7.555363
-7.744715
other
Li12Fe4P8O32
56
11
639.22
mp-1194422
7.407344
5.562582
-5.078192
other
Na6S2N2O16
26
11
363.55
mp-1198053
-3.515642
-1.431252
-5.315986
other
Cs6Ag4Sb6S16
32
11
1,017.98
mp-1047887
9.781154
8.244119
-6.668678
other
Mg2Co6P6O26
40
11
467.16
mp-1370970
8.938244
12.031552
-0.657308
other
Zn4Fe2Sb2O12
20
11
217.52
mp-726915
5.641742
3.273343
-4.718281
other
Os8C24S2O24
58
11
1,016.78
mp-1194659
10.895076
12.074502
-3.820212
other
Cs4Nb4V8O32
48
11
878.63
mp-17306
11.598471
9.118145
-5.144136
other
K2Mo6P4O28
40
11
587.97
mp-754649
8.348902
5.563429
-6.210129
other
Mn2C2S2O14
20
11
278.11
mp-775016
11.694034
8.299945
-7.991984
other
Mn2Cr2P4O16
24
11
280.78
mp-24007
0.566096
1.788278
-5.071319
other
Rb4H2Br2O2
10
11
263.38
mp-11170
-3.282563
-1.88993
-5.564102
other
K2Ce2Si2S8
14
11
367.3
mp-1198106
8.148215
2.535053
-1.652157
other
As2C8N4F34
48
11
667.67
mp-1372414
11.26729
10.36811
0.916967
other
Ca4V2Sb2O12
20
11
242.83
mp-1211778
12.013716
7.246293
-3.60406
other
K6Ce2As4O16
28
11
463.95
mp-1195504
5.387302
-0.408691
-3.016003
other
K8Gd4B20H80
112
11
1,265.65
mp-1213833
8.78842
5.789018
-6.020359
other
Ce2S4N2O16
24
11
337.69
mp-26531
12.136339
7.38063
-7.101374
other
Li2Cu4P6O20
32
11
355.7
mp-26977
13.977367
7.515487
-7.168486
other
Li2Mn4P6O20
32
11
377.26
mp-1372341
8.30282
10.817127
-0.362642
other
Mg4Cu2Sb2O12
20
11
216.73
mp-1019546
12.423831
6.516831
0.113717
other
Ba2Y8Si10O34
54
11
746.06
mp-570245
-5.016459
-6.27398
2.846586
other
Ba4Ga2Ge2N2
10
11
276.97
mp-867746
10.3883
8.125942
-6.942042
other
Cr2Cu2P4O16
24
11
295.24
mp-1188943
7.760979
8.173748
-3.097432
other
Na2Ho2B2O10
16
11
187.41
mp-775025
9.758207
8.075367
-6.513754
other
Mn2Cu2P4O16
24
11
314.52
mp-1041428
14.1308
8.9037
-4.106309
other
Zn2Mo6P6O26
40
11
549.73
mp-1229063
13.619604
6.636626
-5.987709
other
Cs2U2P4O16
24
11
398.65
mp-704688
6.231348
3.445436
-4.584877
other
Fe4C18O16F4
42
11
607.67
mp-756141
13.623723
7.780983
-5.681391
other
Fe4Te4P8O32
48
11
654.8
mp-26613
11.561217
7.689951
-7.610589
other
Li4Fe4P8O28
44
11
502.24
mp-768410
13.734672
4.470416
-2.575216
other
Li6Mn2B8O18
34
11
332.73
mp-768740
12.774952
5.792389
-2.409112
other
Li4Bi10B6O26
46
11
639.17
mp-1194392
8.620417
7.794575
-2.665198
other
Sr2Al4Si4O20
30
11
353.88
mp-617283
10.322292
8.084906
-4.75177
other
Cu4As2Cl2O8
16
11
226.98
mp-978099
13.149727
5.596278
-5.928128
other
K6Gd2P4O16
28
11
391.66
mp-559940
2.764011
2.739532
-4.327454
other
Al4S8N4Cl24
40
11
1,178.88
mp-1194026
6.957409
5.623171
-4.747392
other
Ir2S4Cl6O14
26
11
1,110.22
mp-557752
10.325372
4.348015
-6.370417
other
Cs2H2S2O8
14
11
239.33
mp-579536
0.355883
2.426363
-4.984187
other
Cs2Cu4I2Cl4
12
11
347.75
mp-1200603
7.892267
7.868933
-4.2245
other
Cs8Te2P6O36
52
11
1,134
mp-752823
12.614983
12.954927
-1.722817
other
Li8V4O8F8
28
11
296.63
mp-554842
10.794904
7.466256
-0.474851
other
Cs10Si6Ag2O18
36
11
770.96
mp-550553
9.550863
8.372244
-0.747329
other
Cd2Bi2Cl2O4
10
11
202.59
mp-755864
12.386434
7.315424
-7.224276
other
Ti2Cu2P4O16
24
11
290.46
mp-26005
14.036262
7.587773
-7.09693
other
Li2Mn12P14O48
76
11
938.71
mp-768885
14.496875
5.238299
-2.160103
other
Li6V2B8O18
34
11
334.03
mp-1239179
-5.503665
-0.139394
-5.647465
other
Ta2Cr6Cu4S16
28
11
470.09
mp-1101550
13.094569
7.277039
-7.123465
other
Li4Cr2P10O30
46
11
605.83
mp-9511
-3.291703
-1.147749
-5.212023
other
K4As2Au2S8
16
11
439.31
mp-1302599
10.014394
12.549733
0.221728
other
Li20Mn4O12F4
40
11
420.49
mp-1273426
13.36368
12.769699
-0.481027
other
Li8V4O8F4
24
11
221.49
mp-1211243
8.752914
1.024295
1.692064
other
K2Lu2Be2F12
18
11
236.02
mp-1196308
4.059895
2.928787
-3.737082
other
Bi4C6Br18N18
46
11
1,310.75
mp-1212242
8.575895
1.804448
0.526553
other
Ho2Be2N2F12
18
11
271.18
mp-775167
9.726645
8.029503
-6.339703
other
Fe2Cu2P4O16
24
11
300.78
mp-1238851
-5.022339
0.004101
-5.519422
other
Ti2Cr2Ag2S8
14
11
267.67
mp-1209839
9.2408
9.466672
2.065173
other
Nd8Cu4Sn4O24
40
11
521.08
mp-1370909
11.540041
10.089808
0.593197
other
Ca4Sb2Mo2O12
20
11
256.7
mp-1192628
11.69987
12.048027
-2.75887
other
Ba4V6H2O18
30
11
412.76
mp-1212472
10.966058
7.641009
-0.870181
other
K4Nd8Ge8O34
54
11
817.29
mp-1095437
9.745539
6.850957
-3.335713
other
Lu2Se2O6F2
12
11
193.59
mp-1102060
10.997782
4.003516
-3.243745
other
Tm2H4Cl2O4
12
11
140.46
mp-560784
11.207072
7.76977
-7.456505
other
Ca2Fe6P6O26
40
11
498.84
mp-1041246
8.696115
7.956746
-4.806126
other
Ca2Ag6P6O26
40
11
533.99
mp-18647
11.793529
9.960925
2.451283
other
Nd6Ti6Se4O16
32
11
488.24
mp-1331696
11.288843
10.21961
2.219061
other
Ca4Ta2Sn2O12
20
11
267.27
mp-14735
8.867539
9.536858
2.092656
other
La8Cu4Sn4O24
40
11
536.91
mp-1019793
13.180344
5.583256
-5.921768
other
K6La2P4O16
28
11
425.48