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-17954
-4.016142
-1.466326
-5.69063
other
Ba3Cu6Sn3S12
24
152
567.99
mp-1019615
13.7498
4.194345
-2.208302
other
Cs9Li12B21O42
84
152
1,163.07
mp-1191141
12.368507
6.917245
-0.435101
other
Sr3Li6Si3O12
24
152
281.31
mp-753118
13.633934
8.027287
-0.834637
other
Li12Fe6Si6O24
48
152
517.98
mp-1204118
0.852828
2.106398
-5.1582
other
Hg48Bi18As24Cl78
168
152
5,170.78
mp-17252
-4.948384
-3.010449
-4.011705
other
Ba3Cu6Ge3Se12
24
152
618.33
mp-1199045
12.778114
5.652577
-3.075285
other
Dy3Fe9B12O36
60
152
614.34
mp-561243
8.124833
9.025599
1.283923
other
Sr6Cu3Cl3O6
18
152
392.57
mp-1204325
7.88981
4.792081
-6.178319
other
K18Co6C36O84
144
152
2,288.25
mp-561251
6.280517
4.968124
-4.605331
other
Rb6Y3N15O45
69
152
1,098.16
mp-18979
12.911178
5.610612
-3.074313
other
Tb3Fe9B12O36
60
152
614.16
mp-1212382
2.691601
3.368683
-4.784912
other
K9Tc6Cl24O9
48
152
1,247.27
mp-1211548
8.636884
5.836311
-6.072401
other
K3La3S6O27
39
152
623.91
mp-1213590
7.665486
5.103336
-3.776588
other
Cu3H30Cl9O54
96
152
1,219.48
mp-14629
12.726208
7.315492
-0.459246
other
Li6Eu3Si3O12
24
152
275.9
mp-6267
13.407412
5.228361
-1.405669
other
La3Si3B3O15
24
152
281.05
mp-762111
14.013455
7.17587
-6.114126
other
Li6Cu3P3O12
24
152
256.78
mp-1203888
8.992196
5.57526
-6.521306
other
Na3Ce3S6O27
39
152
552.99
mp-780734
13.34099
7.631411
-0.839582
other
Li12Mn6Si6O24
48
152
521.28
mp-1209083
12.102693
8.327386
0.729722
other
Sr6Li3Si3O12
24
152
421.41
mp-1201100
8.898654
5.734129
-6.357859
other
Ce3Ag3S6O27
39
152
566.2
mp-560751
12.844386
5.566473
-3.050704
other
Gd3Fe9B12O36
60
152
620.22
mp-1202864
9.209583
7.267884
-4.525481
other
Mg6B6P6O36
54
152
632.48
mp-21266
12.575784
5.564792
-5.638761
other
B3P3Pb3O15
24
152
295.64
mp-6486
12.954196
5.014924
-5.846432
other
Sr3B3P3O15
24
152
287.82
mp-776421
10.736179
3.028622
1.842877
other
Li3V6O3F15
27
152
329.7
mp-1222846
7.391238
12.203845
1.378522
other
La1Mn2Cd1O6
10
155
111.19
mp-1211974
8.254778
6.419373
-5.410777
other
In1S2N1O8
12
155
180.2
mp-706629
12.079476
4.06006
-3.336043
other
Na6B12H30O36
84
155
788.55
mp-1214839
13.792823
4.656973
-2.219186
other
Al3Bi1B4O12
20
155
188.82
mp-1189650
12.833466
5.646489
-3.114428
other
Er1Fe3B4O12
20
155
204.16
mp-1208321
13.824478
4.598045
-1.974463
other
Tb1Al3B4O12
20
155
185.49
mp-1208640
13.838693
4.7705
-2.240358
other
Sm1Ga3B4O12
20
155
200.73
mp-1227024
6.561237
11.142349
0.917644
other
Ca6Sc1Co3O12
22
155
267.48
mp-1105604
14.293451
5.173198
-2.563277
other
Gd1Cr3B4O12
20
155
203.55
mp-18936
12.773748
5.641471
-3.048555
other
Nd1Fe3B4O12
20
155
209.34
mp-15939
13.799346
4.630257
-1.698197
other
Sr1Al2B2O7
12
155
171.94
mp-1212105
13.823945
4.564803
-1.932351
other
Ho1Al3B4O12
20
155
184.29
mp-1177439
12.823833
7.002278
-1.0186
other
Li30Cr6Si24O72
132
155
1,505.47
mp-1222969
8.317738
11.495033
2.044405
other
La1Ce1Mn2O6
10
155
125.97
mp-1133325
12.824973
6.205784
-0.544516
other
Na30Lu6Si24O72
132
155
1,816.89
mp-760001
10.929378
12.950658
0.9335
other
Li11Ti12Ni4O32
59
155
598
mp-755367
11.402138
11.629479
2.413135
other
Li1Ta2Cu1O6
10
155
111.66
mp-16097
13.628303
4.701789
-1.44687
other
Ce1Sc3B4O12
20
155
222.04
mp-1212083
12.847275
5.613012
-3.064696
other
Ho1Fe3B4O12
20
155
205.24
mp-12885
11.532136
7.767192
0.099377
other
Ba1Al2Sb2O7
12
155
214.96
mp-662810
12.825047
6.203543
-0.545477
other
Na30Lu6Si24O72
132
155
1,803.08
mp-1212375
13.830992
4.739581
-2.267928
other
Gd1Ga3B4O12
20
155
200.03
mp-556530
13.578485
4.632692
-1.404977
other
La1Sc3B4O12
20
155
227.74
mp-10348
13.507687
4.500564
-1.459427
other
La1Sc3B4O12
20
155
221.45
mp-554569
13.762164
6.632403
-7.153555
other
Ti8Fe2P12O48
70
155
913.46
mp-1212820
12.771073
5.658118
-3.080411
other
Dy1Fe3B4O12
20
155
205.05
mp-13516
13.802293
4.631377
-1.951529
other
Tm1Al3B4O12
20
155
183.21
mp-7337
13.794194
4.594973
-1.941721
other
Nd1Al3B4O12
20
155
189.01
mp-763059
8.733148
3.537404
-7.394554
other
Li1V1C2O6
10
155
102.39
mp-1211257
8.969294
5.726863
-6.176127
other
K1Tl1S2O8
12
155
186.54
mp-638598
13.112849
5.466198
-3.093092
other
Gd1Fe3B4O12
20
155
192.15
mp-559773
12.489215
6.25881
-0.594437
other
Na4Sr1Si3O9
17
155
231.48
mp-1212739
13.245985
5.066685
-2.582442
original
Eu1Ga3B4O12
20
155
202.53
mp-6524
8.574874
3.81166
-7.179712
other
Ca1Mg3C4O12
20
155
210.91
mp-720476
9.822813
7.571423
-6.167233
other
Ni1P3N1O9
14
155
220.44
mp-561187
13.808775
4.773546
-2.243799
original
Nd1Ga3B4O12
20
155
202.66
mp-558033
10.479152
10.743346
3.290667
other
Na2Ca3Ta2O9
16
155
229.44
mp-1208326
13.836804
4.793507
-2.26495
other
Tb1Ga3B4O12
20
155
198.89
mp-1208860
13.787565
4.614981
-1.967004
other
Sm1Al3B4O12
20
155
181.86
mp-553959
14.493972
5.870125
-6.412004
other
Na6Nb8P5O35
54
155
724.41
mp-1218468
7.958444
10.090363
1.258241
other
Sr7Ca1Ir2O12
22
155
330.01
mp-1225482
10.68843
8.725462
2.643121
other
La1Ce1Al2O6
10
155
110.63
mp-555808
13.188374
4.859298
-2.747869
other
Zn8B3H3O14
28
155
350.26
mp-6062
13.826825
4.587745
-1.93045
other
Y1Al3B4O12
20
155
185.1
mp-1227125
8.000183
10.502241
0.949595
other
Ca7Ni1Ir2O12
22
155
281.14
mp-1221080
10.568714
10.887794
3.116335
other
Na1Ce1Ti2O6
10
155
115.92
mp-1212835
13.819472
4.751704
-2.232774
other
Dy1Ga3B4O12
20
155
198.29
mp-1208022
7.979327
6.510671
-5.132652
other
Tl1S2N1O8
12
155
190.5
mp-1218237
5.881496
10.976937
0.087946
other
Sr1La1Fe2O6
10
155
121.71
mp-1207606
12.814012
5.648448
-3.050848
original
Y1Fe3B4O12
20
155
205.27
mp-1178130
6.988735
14.127927
-1.811687
other
Li8Cr4Co12O32
56
155
542.21
mp-19136
12.893573
5.615909
-3.080333
other
Tb1Fe3B4O12
20
155
205.59
mp-22252
12.801626
5.609482
-3.053662
other
La1Fe3B4O12
20
155
211.82
mp-9844
13.653603
4.664752
-1.653536
other
Ba1Al2B2O7
12
155
183.87
mp-1212827
13.792937
4.595841
-1.970066
other
Dy1Al3B4O12
20
155
184.93
mp-1227494
6.471856
11.668036
0.752552
other
Ca12Fe2Co6O24
44
155
508.65
mp-1203896
11.74897
7.059254
-2.966574
other
Sn21H14Cl16O20
71
155
1,359.04
mp-1212659
6.760097
7.134022
-3.703792
other
K6Na2Fe7O38
53
155
828.82
mp-556120
8.972248
5.678563
-6.211598
other
Rb1Tl1S2O8
12
155
178.72
mp-1195197
-0.459984
2.040765
-2.455956
other
Ca12B4I12N8
36
155
1,029.17
mp-1190829
13.868428
6.03794
-2.879433
other
Sm1Fe3B4O12
20
155
200.22
mp-1106277
13.823124
4.588463
-1.952364
other
Er1Al3B4O12
20
155
183.76
mp-1019731
13.168391
5.111775
-2.443271
other
Eu1Al3B4O12
20
155
188.08
mp-1180153
8.672298
7.251013
-5.847233
other
Na1V3S2O14
20
155
254.6
mp-11110
11.358538
6.192025
-2.712527
other
Yb1Al3B4O12
20
155
185.73
mp-1207603
13.848388
4.760873
-2.196088
other
Y1Ga3B4O12
20
155
198.46
mp-1210595
10.014958
7.404507
-6.036971
other
Mg1P3N1O9
14
155
230.85
mp-1222844
10.615334
8.685837
2.504684
other
La1Pr3Al4O12
20
155
218.99
mp-1176793
8.180227
14.508109
-1.167147
other
Li9Mn12Ni3O32
56
155
569.81
mp-1347394
6.502355
10.737616
-1.183843
other
Ca3Fe2Rh2O12
19
155
260.68
mp-15359
13.820475
4.574452
-1.990174
other
Gd1Al3B4O12
20
155
186.49
mp-1234776
11.309933
10.825681
0.22535
other
Sr6Mg1W4O18
29
155
430.35
mp-1197630
7.709471
7.13612
-4.51246
other
Nd2S6N6O24
38
155
700.31
mp-775306
11.136102
12.955359
1.050213
other
Li8Ti12Fe4O32
56
155
617.43