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-1224132
9.870142
10.674479
0.178974
other
Ho2Mn3Sb3O14
22
12
273.8
mp-977368
-4.545504
-3.850756
-3.940487
other
K2Dy4Cu4Se9
19
12
459.53
mp-776618
11.654226
13.419821
-0.126365
other
Li4V1Cr3O8
16
12
148.83
mp-2225375
14.034608
8.367587
-2.461426
other
Mg1Co1H1O2
5
12
45.81
mp-1174508
3.381614
23.636452
-1.454192
other
Li14Mn4Co6O24
48
12
425.47
mp-560513
12.013988
6.879584
0.189807
other
Gd6Si4Cl10O12
32
12
654.42
mp-24231
10.178161
3.248074
-4.006725
other
Ni1H12Cl2O6
21
12
193.41
mp-1201235
12.994331
6.007957
-0.941771
other
K4Si8H4O20
36
12
520.33
mp-2228999
12.672101
11.491313
1.531477
other
Mg1Ti4Fe2O10
17
12
211.43
mp-8129
4.599672
2.769875
-3.745266
other
Ni1C2S2N2
7
12
121.12
mp-1228986
9.600776
1.642855
-3.962348
other
Al1H6N2F3
12
12
104.03
mp-1207601
11.659596
11.249399
-2.595912
other
Y2W2Cl2O8
14
12
254.12
mp-1189251
9.870896
4.582324
-5.604998
other
Rb4H4S4O8
20
12
363.46
mp-1103556
11.714857
11.315127
-2.661738
other
Er2W2Cl2O8
14
12
250.52
mp-1203564
9.601766
6.982773
-3.012496
other
Ca2Al4Si8O33
47
12
698.43
mp-756973
7.726043
14.86242
-0.778774
other
Li3Mn1Cu2O6
12
12
107.79
mp-754169
8.802764
13.607781
-0.808713
other
Li3Co4Sn1O8
16
12
156.6
mp-2228668
12.287654
9.07417
-0.098423
other
Mg1Ga4Cu2O8
15
12
161.52
mp-1025384
-4.653025
-1.472023
4.318743
other
Pr2Re2Si2C1
7
12
131.12
mp-757575
14.020884
7.92807
-6.75791
other
Li2V2P8O24
36
12
494.82
mp-1103802
11.686107
11.270773
-2.660472
other
Tb2W2Cl2O8
14
12
256.95
mp-2232156
7.878253
12.712239
-1.281591
other
Mg1Co4Cu2O8
15
12
155.63
mp-1227726
7.194703
11.700954
1.393967
other
Ca8Mn4Al4O22
38
12
432.15
mp-756944
10.243349
13.921562
-0.294636
other
Li4Mn1Cr3O8
16
12
148.55
mp-19030
13.272702
8.629022
-0.811521
other
La4V5Si4O22
35
12
431.26
mp-758018
14.76877
8.205782
-4.398917
other
Li3P2W1O8
14
12
149.27
mp-756351
8.896953
14.895577
-0.251471
other
Li3Mn4Ni1O8
16
12
154.16
mp-1228433
-4.726153
-5.367108
0.489085
other
Ba2Na1Sn6As6
15
12
440.66
mp-1222819
8.135578
13.57445
-0.896564
other
Li6Co2Ru2O10
20
12
187.76
mp-780295
13.355413
12.691936
-0.471563
other
Li4V2O4F2
12
12
111.14
mp-754136
8.855378
11.919722
-0.105152
other
Cs1Li7Ni2O6
16
12
193.94
mp-2230162
10.534754
9.766991
0.844734
other
Na8Mg1Ti2O8
19
12
316.75
mp-1302582
5.482584
20.034941
-1.081251
other
Li6Mn2Co4O12
24
12
221.44
mp-1100739
3.709353
23.361084
-1.384169
other
Li9Mn2Co5O16
32
12
289.33
mp-1236275
12.086189
8.855145
1.766752
other
Li1Pr1Nd1O2
5
12
79.93
mp-1228869
5.994811
8.584326
-0.835145
other
Ba10Bi2Pb8O30
50
12
829.71
mp-558403
8.186121
2.091576
-0.7378
other
P4Pb2Xe6F36
48
12
861.82
mp-772334
10.233409
12.746321
-0.501758
other
Li3Fe3Te1O8
15
12
163.66
mp-1228062
-6.290974
-3.530572
0.766618
other
Ca1Ce1Fe8Sb24
34
12
774.88
mp-634716
8.657034
0.991826
-4.187808
other
Cu1H12I4N4
21
12
340.17
mp-1019802
13.123092
6.201119
-6.902404
other
K2Al2P8O24
36
12
528.12
mp-2218518
8.530965
14.639115
-0.953842
other
Mg1Mn3Bi1O8
13
12
173.42
mp-1176308
4.047781
22.656132
-1.35715
other
Li9Mn2Co5O16
32
12
284.99
mp-2215935
6.851651
11.184834
0.412597
other
Ba2Mg1Ni2O6
11
12
155.28
mp-1218824
8.490885
10.344356
1.034958
other
Sr4Fe2Sb2O12
20
12
258.09
mp-2218741
11.762617
12.308004
-2.808735
other
Mg1V2Fe2O8
13
12
165.63
mp-1227847
-1.266245
1.81153
-2.180774
other
Cs2Zr36P6I84
128
12
4,723.26
mp-2228558
8.580638
14.618192
-0.95216
other
Mg1Mn3Cu2O8
14
12
157.33
mp-558441
8.943471
1.78059
1.418322
other
Na1Zr2V1F11
15
12
229.15
mp-2227254
8.705432
14.772639
-0.680177
other
Rb1Mg1Mn4O8
14
12
172.7
mp-560555
6.633944
10.609407
-1.33866
other
Li8Bi2Pd1O10
21
12
228.11
mp-863332
8.315327
14.988669
-0.809762
other
Li3Mn3Ni1O8
15
12
146.98
mp-758448
9.128854
12.408104
-0.029249
other
Li10Ni2O6F2
20
12
196.65
mp-1222212
10.905475
4.13123
-6.745366
other
Mg3H2S2O10
17
12
186.09
mp-1226285
-5.63023
-1.520373
-3.767272
other
Cr10Co4Cu1Se20
35
12
648.49
mp-1174059
3.420719
22.190016
-1.555627
other
Li5Mn1Co2O8
16
12
141.72
mp-754088
8.735958
14.117134
-0.718327
other
Li4Cr1Fe3O8
16
12
150.97
mp-570268
-4.511245
-2.339799
-3.899627
other
Mn2Sb2Se4I2
10
12
278.86
mp-21545
8.529241
8.229479
-2.740817
other
Yb2Fe2Ge4O14
22
12
277.96
mp-1280544
12.440519
12.761621
-0.954928
other
Mn4V6Ni2O16
28
12
302.66
mp-16891
13.299401
8.649432
-0.817893
other
Nd4V5Si4O22
35
12
422.31
mp-1174099
4.347035
22.70344
-1.093277
other
Li6Mn2Co2O10
20
12
179.02
mp-11705
-5.497606
-1.576135
5.536693
other
Dy2Fe2Si2C1
7
12
107.42
mp-552056
8.37125
3.838192
-6.172472
other
Pb2C2Cl2O4
10
12
170.78
mp-756959
6.350376
12.947087
-1.406545
other
Li3Fe3Cu1O8
15
12
137.77
mp-1174556
4.172762
22.601019
-1.277423
other
Li8Mn2Co4O14
28
12
246.61
mp-2218924
8.057627
14.479884
-1.323997
other
Mg1Mn3Co1O8
13
12
146.34
mp-757499
6.038407
13.001246
-1.741146
other
Li2Fe3Co1O8
14
12
148.76
mp-571169
-4.582091
-2.672183
-3.685336
other
In2Bi4Se8Br2
16
12
478.74
mp-1103918
7.545928
7.531232
-3.990486
other
Cu2Se2N1O10
15
12
210.51
mp-867783
7.422966
13.762335
-1.008684
other
Li6Fe5Cu1O12
24
12
235.09
mp-1211883
-4.775492
-4.952315
0.182589
other
K5In4Ge6As14
29
12
853.17
mp-1302702
11.464106
13.478718
-1.875013
other
Na1Mn3V4O12
20
12
210.33
mp-2230142
11.232927
9.777682
0.854984
other
Mg1Ti3Bi4O12
20
12
285.16
mp-558997
11.58842
11.303792
-3.907969
other
Sm2Mo2Cl2O8
14
12
262.48
mp-759120
10.661854
1.179027
1.84199
other
Li2Mn4O2F6
14
12
176.97
mp-555331
8.326062
9.78386
1.421088
other
K2Gd2Pd2O6
12
12
189.75
mp-755577
8.872313
14.987983
-0.230313
other
Li3Mn4Co1O8
16
12
157.53
mp-556541
-3.618392
-1.250473
-5.349488
other
In2Sb4S8Cl2
16
12
408.72
mp-1314550
7.09944
14.42101
-1.556845
other
Li6Cr2Co6O16
30
12
290.52
mp-761831
7.886558
14.544602
-1.097158
other
Li6Cr2Co4O12
24
12
218.88
mp-1223008
8.717812
9.966101
2.266024
other
La8Cu2Ni2O16
28
12
386.81
mp-1176324
3.907912
22.944565
-1.371533
other
Li9Mn2Co5O16
32
12
287.22
mp-760697
9.908362
1.925608
-3.701978
other
Ga2H14N4F8
28
12
242.88
mp-1195380
8.842535
8.607489
-4.108925
other
U6W4O34F4
48
12
976.11
mp-755092
9.908876
14.552134
-0.472789
other
Li6Mn4V2O12
24
12
232.14
mp-1299391
10.98417
13.651171
-1.595331
other
Li2Al2V2O8
14
12
140.19
mp-752830
10.72322
0.745129
0.774579
other
Li4Fe2O2F6
14
12
151.56
mp-554034
10.162106
9.597543
3.121426
other
K2La4Nb2O12
20
12
322.82
mp-1025320
-4.859045
-1.547668
4.384546
other
Ho2Re2Si2C1
7
12
119.37
mp-560569
8.208123
9.898883
1.510247
other
K2Pr2Pd2O6
12
12
196.53
mp-1299481
6.057633
11.471068
0.638309
other
Sr2La4Co6O18
30
12
350.12
mp-1644852
6.73386
14.502485
-1.680452
other
Li8Co10Sn2O24
44
12
446.08
mp-755504
10.459196
1.147359
1.647502
other
Li6Mn2O2F6
16
12
156.95
mp-2224801
6.210135
13.39755
-2.114941
other
Mg1Fe1Co3O8
13
12
144.67
mp-1977502
6.936805
14.291471
-1.653196
other
Li8Co10Sn2O24
44
12
435
mp-1210213
-4.669306
-3.350721
-3.726362
other
Na3Sm2Si2Se6
13
12
339.67
mp-684082
13.654299
6.923259
-6.092661
other
Li2Sb2P8O24
36
12
575.45
mp-1025285
-4.819379
-1.322732
4.123886
other
Ce2Re2Si2C1
7
12
127.75
mp-1174588
3.460051
23.766397
-1.386708
other
Li8Mn2Co4O14
28
12
257.23