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-1100501
7.088384
19.680998
-0.115426
other
Li9Mn7O16
32
2
296.67
mp-1192307
8.041583
6.458567
-5.10022
other
Na4S4O16
24
2
330.85
mp-752449
13.713902
4.325475
-1.819651
other
La4B8O18
30
2
308.98
mp-765581
10.28356
13.633725
-0.36635
other
Mn8Cr4O16
28
2
306.93
mp-567148
5.609598
-0.204523
-3.146492
other
Cr1B6H16
23
2
208.85
mp-17281
12.3697
7.281381
-6.465645
other
Cu8P4O16
28
2
323.75
mp-762387
5.880017
12.808718
-1.486764
other
Li2Ni5O10
17
2
180.59
mp-1220761
-4.592011
-1.179858
-2.541206
other
Nb12Zn1Se16
29
2
623.1
mp-1100555
7.162436
19.484743
-0.133054
other
Li9Mn7O16
32
2
296.9
mp-759512
7.475419
12.516011
-1.096255
other
Na2Ni6O8
16
2
155.32
mp-1246579
2.595042
2.320936
1.500334
other
Na6Si6N10
22
2
268.31
mp-1247446
1.862438
1.736041
2.094207
other
Sr6Zr6N10
22
2
405.99
mp-570039
-1.046165
0.928839
-1.547804
other
La12Fe2I17
31
2
1,255.63
mp-657985
0.976895
1.286287
-4.057196
other
Ce10C4Cl18
32
2
820.56
mp-1175521
4.318763
19.293547
-1.831562
other
Li9Co7O16
32
2
283.37
mp-1366160
1.816733
1.913132
1.125441
other
Ca40H15N20
75
2
1,311.72
mp-1246152
1.376897
2.342556
1.760179
other
Zn8Ir2N8
18
2
229.19
mp-31232
13.741827
6.952822
-5.541432
original
In4P2O10
16
2
200.61
mp-1100543
7.147557
19.584522
-0.122953
other
Li9Mn7O16
32
2
298.82
mp-1232104
-2.770544
-2.608256
-5.822731
other
Sm8Mg4S16
28
2
767.44
mp-1246954
1.816714
2.159775
1.812654
other
Ti2Zn8N8
18
2
223.41
mp-1046282
11.764928
11.595177
0.159835
other
Mg4Fe4O8
16
2
191.98
mp-560049
9.261187
7.328421
-3.547138
other
Cu6Se6O18
30
2
399.29
mp-756113
10.315434
1.763592
2.183902
other
Li4Fe4F12
20
2
245.39
mp-9798
-4.45703
-2.704498
-3.617373
other
Rb2Sb4Se8
14
2
439.12
mp-756526
9.935505
7.01558
-3.66651
other
Bi4B4O14
22
2
274.49
mp-1390005
11.065478
9.111315
0.659245
other
Mg4Sn4O8
16
2
248.88
mp-1176788
9.4295
8.732098
-0.352733
other
Li2Bi8O14
24
2
358.6
mp-1198415
-4.187918
-2.034618
-3.361742
other
Cs8B18Se18
44
2
1,278.91
mp-1041820
9.99841
10.925869
-3.102674
other
Bi1W2O8
11
2
167.35
mp-768059
6.615482
13.354698
-1.254664
other
Li7Ni9O16
32
2
274.1
mp-1232033
-2.774407
-2.562579
-5.898868
other
Y8Mg4S16
28
2
768.55
mp-1237325
9.542014
2.038522
1.57547
other
Mn1Zn3F6
10
2
149.57
mp-1369593
11.007893
9.267647
0.193164
other
Zn2Sn9O13
24
2
384.64
mp-770862
7.770452
10.077374
-3.947476
other
Li8Cr8O28
44
2
574.04
mp-800289
7.535155
4.715508
-1.535593
other
V8O12F4
24
2
265.6
mp-24818
3.402545
-0.658517
-2.277632
other
Li4Be4H12
20
2
175.24
mp-1210451
6.695033
6.172678
-3.978642
other
Ni1S2O12
15
2
407.2
mp-1248407
-2.113317
-8.431054
1.616271
other
Al2Ni1Pt1
4
2
984.49
mp-560261
10.698838
10.424336
1.822941
other
Ta4Bi4O16
24
2
324.78
mp-663506
10.6179
8.055684
-3.074811
other
Hg4Ge2O8
14
2
221.13
mp-19022
6.427522
10.759786
-1.063346
other
Na8Fe2O8
18
2
234.61
mp-1277660
6.604133
12.881349
-2.025118
other
Co4Cu3O12
19
2
184.77
mp-1174320
7.136926
19.484228
-0.159027
other
Li8Mn6O14
28
2
260.75
mp-1175467
4.457153
19.17798
-1.81318
other
Li9Co7O16
32
2
279.89
mp-666156
7.638924
5.257316
-2.173484
other
Na4Te8O18
30
2
497.15
mp-1395085
8.583382
11.322895
0.64092
other
Ca4Co4O8
16
2
211.52
mp-746730
13.936951
7.459305
-6.31046
other
Fe4P16O44
64
2
840.49
mp-755232
6.561243
11.777421
-1.28062
other
Li16Fe4O16
36
2
361.75
mp-1229162
-5.553614
-0.078681
-5.601811
other
Ba1Cr10S16
27
2
513.6
mp-2234110
9.942106
12.21382
-4.041155
other
V2Cu1O6
9
2
115.4
mp-1174005
4.017202
19.631226
-1.809013
other
Li6Co4O10
20
2
178.88
mp-1175334
6.995308
19.766193
-0.176958
other
Li7Mn5O12
24
2
219.53
mp-850788
14.026714
11.951319
-2.252468
other
V6O6F12
24
2
316.62
mp-778225
12.818982
0.86996
2.175921
other
Fe10O6F14
30
2
358.73
mp-1174763
6.69373
19.654333
-0.353836
other
Li5Mn3O8
16
2
143.33
mp-1173443
10.716393
11.507275
3.360489
other
Nd4Ta12O36
52
2
739.1
mp-759731
5.709591
11.336307
-1.690089
other
Na16Fe10O28
54
2
645.34
mp-1245428
1.90426
2.2444
1.151191
other
Ca6Bi6N10
22
2
400.3
mp-1175374
4.784186
18.799826
-1.756703
other
Li9Co7O16
32
2
272.91
mp-762282
10.116317
13.944466
-0.811916
original
Li3Cr5O10
18
2
184.96
mp-1174328
4.072624
19.60618
-1.804681
other
Li7Co5O12
24
2
213.18
mp-27150
10.261684
12.516489
-3.581188
other
Mg4V4O14
22
2
265.56
mp-771985
9.284354
8.066942
-5.927293
other
Ni7P6O24
37
2
415.85
mp-541348
8.51075
1.635308
-0.573416
other
Tb4Au10F42
56
2
905.02
mp-1247465
0.894058
2.374669
1.614102
other
Ba6Fe6N10
22
2
360.79
mp-779090
10.068871
12.279184
-4.595391
other
V6O12F6
24
2
294.89
mp-1245496
1.212296
2.449878
1.906977
other
Mg6Mo2N8
16
2
167.9
mp-704206
11.993463
8.018325
-7.300035
other
Fe9P8O32
49
2
642.7
mp-672972
13.459194
6.855273
-6.228446
other
Sn4P12O36
52
2
825.27
mp-667291
10.122411
10.272745
-3.217642
other
Re4Hg8O20
32
2
582.03
mp-1273178
6.50237
11.35099
0.677653
other
Y4Co4O12
20
2
226.94
mp-2492941
-3.669683
-0.717909
-5.103434
other
Li4Nb2S6
12
2
204.87
mp-1194021
8.374411
3.510963
-6.338888
other
Ba4C8O16
28
2
419.73
mp-504840
11.129264
10.723437
-1.218035
other
K24W6O30
60
2
1,070.45
mp-802343
7.878371
5.448044
-1.885578
other
Cr5Si4O14
23
2
291.67
mp-937728
-3.954159
-2.320402
-3.533883
other
Cr2Co1Se4
7
2
139.16
mp-1175451
4.572307
19.07235
-1.783773
other
Li9Co7O16
32
2
276.03
mp-541578
10.48676
10.820078
-3.739054
other
Li8Mo10O34
52
2
659.28
mp-1246009
0.009052
1.954604
2.394618
other
Ti2V8N8
18
2
181.88
mp-1224476
-7.929211
-1.703544
4.911837
other
Ho6Ni4Ru8
18
2
298.53
mp-540022
10.557294
8.294886
-7.648277
other
Mn2P2O8
12
2
153.64
mp-1180118
7.505107
8.334812
-3.361629
other
P4Pb2O16
22
2
324.14
mp-1045961
12.841617
10.306806
1.874955
other
Ti4Zn4O8
16
2
184.9
mp-1196259
-1.401337
2.134251
-4.637445
other
Sb4W20Br60
84
2
2,937.55
mp-1195420
7.339893
6.640812
-4.422879
other
Fe6P4O32
42
2
685.82
mp-753247
10.22996
0.352669
-0.179634
other
Li2Mn2F10
14
2
179.32
mp-685779
-5.808648
1.580395
-4.800084
other
Sn5Mo36S48
89
2
1,694.23
mp-1237916
7.864212
8.914336
-1.702175
other
Yb6Mo1O12
19
2
332.61
mp-675132
-3.58944
-4.759759
0.722682
other
K12In2P6
20
2
673.3
mp-26626
9.228561
7.915275
-5.530231
other
Fe2P4O14
20
2
273.65
mp-30097
-2.759561
-0.222726
-3.19582
other
Bi4Te14Cl16
34
2
1,081.43
mp-27788
2.185793
2.539647
-4.392359
other
Ta2P2Cl20
24
2
672.08
mp-1046046
12.094517
11.260628
0.523709
other
Mg4Cr4O8
16
2
211.36
mp-761200
14.021731
11.950046
-2.247075
other
V6O6F12
24
2
317.05
mp-1370181
11.540809
11.604905
-0.109933
other
Zn4Fe4O8
16
2
201.73
mp-1100509
7.067787
19.722076
-0.117833
other
Li9Mn7O16
32
2
298.18
mp-1245908
1.455781
1.889554
1.311412
other
Ba8Pt2N8
18
2
388.92
mp-530985
7.679613
11.775512
2.183612
other
La20Mn18O60
98
2
1,222.3
mp-1209115
8.281212
2.153651
-0.897798
other
Sb2H1F13
16
2
263.47