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-753228
8.387216
14.804448
-1.204634
other
Li1Mn3O6
10
12
113.59
mp-33705
12.787738
12.503753
-0.478453
other
Mg9V10O24
43
12
476.57
mp-1232327
-2.952471
-2.28866
-5.713304
other
La4Mg4S12
20
12
570.69
mp-753579
14.533359
8.79947
-3.500807
other
V4P4O14
22
12
257.99
mp-1025180
-5.593944
-1.723273
-3.876574
other
Mn1Cr2Se4
7
12
144.72
mp-685797
11.499242
12.720106
1.715176
other
Li24Ti36O80
140
12
1,516.09
mp-1362289
6.869738
10.055047
-2.390455
other
Al8Ni6O24
38
12
392.97
mp-1384482
0.874769
2.499476
1.893258
other
Zn4Cr2N4
10
12
121.96
mp-1227149
-7.742617
0.982871
4.989183
other
Ce2Fe17C1
20
12
266.7
mp-1025323
-3.101527
0.565731
2.638813
other
Dy2Cr2C3
7
12
93.58
mp-1080285
-4.633484
-2.950065
-3.43532
other
Ce2Sb4Se8
14
12
527.27
mp-1205884
-8.219337
-4.732514
5.164769
other
Pr3Ga2Ni4
9
12
162.99
mp-1222866
-7.022471
-4.366357
5.665906
other
Lu10Al4Ge11
25
12
516.17
mp-772159
7.336314
10.130322
0.927303
other
La6Cu6O17
29
12
414.41
mp-1208667
7.804183
4.775147
-5.966296
other
Sr2C4O10
16
12
249.68
mp-20806
-7.97068
-4.404659
4.400638
other
Gd1Cu2Ge2
5
12
86.93
mp-1209896
3.858233
0.129495
-2.610029
other
Ni1H6Cl2
9
12
126.32
mp-1213867
4.95284
1.914656
-2.378356
other
Ce2C3N6
11
12
159.53
mp-571404
-1.010265
1.918078
-3.921253
other
Hg12Se8I8
28
12
947.44
mp-541772
-6.785532
-4.95523
0.269957
other
Bi8Ru2Br4
14
12
470.75
mp-696867
-4.981664
0.218593
-4.589062
other
V4Ni1S8
13
12
219.67
mp-640054
-8.107027
-4.620301
3.518599
other
Nd6In22Pt13
41
12
904.17
mp-505031
8.7748
0.414294
0.634817
other
Cs4Cu3F10
17
12
308.4
mp-31294
-7.709344
-5.355784
3.799355
other
Sr2In3Rh2
7
12
171.03
mp-2224874
9.45704
13.522528
-0.809061
other
Mn2Fe4O8
14
12
157.28
mp-29987
-0.56152
0.945364
-1.509502
other
La6Al4I4
14
12
460.71
mp-1405520
12.678143
9.955768
1.758639
other
Ca4Ti4O8
16
12
235.09
mp-753267
12.208181
12.976443
-2.266993
other
Na2V6O13
21
12
247.72
mp-1210141
1.195827
2.349212
-4.230208
other
Nb6Ga4Cl18
28
12
721.73
mp-1079538
12.256486
8.274538
-4.489826
other
V2H2O5
9
12
90.94
mp-1227586
7.665057
11.552885
0.954074
other
Ca4Fe4O10
18
12
233.51
mp-1220449
11.065472
11.733863
2.642339
other
Nb2Al2O8
12
12
147.06
mp-1197619
-2.65415
-2.730079
-5.463907
other
La4Dy11S22
37
12
899.07
mp-757467
8.44748
14.435938
-1.643046
other
Mn5Sn1O12
18
12
243.82
mp-760308
11.79211
13.1681
-2.829162
other
Na2V12O26
40
12
462.24
mp-1203792
-8.157188
-3.280142
4.370743
other
Yb4Ga21Ni10
35
12
542.57
mp-777655
10.432995
0.85521
1.625755
other
Li4Mn4F12
20
12
262.57
mp-1411405
6.52739
8.8633
-0.951351
other
Mg2Bi3O8
13
12
196.01
mp-662567
8.476975
9.883064
2.235205
other
Nd12Cu6O25
43
12
561.09
mp-10486
11.151371
7.556473
-3.791228
other
Cd2As2O7
11
12
152.65
mp-1173926
6.635808
18.437963
-0.585222
other
Li8Mn4O12
24
12
210.74
mp-1103053
-8.101385
-5.328179
3.316401
other
Er3Cu4Sn4
11
12
221.02
mp-15397
12.429814
11.568933
1.800477
other
Ti7Al2O15
24
12
251.02
mp-1246604
0.630723
2.433845
1.888604
other
Mn2Cd1N2
5
12
66.19
mp-1174003
4.074434
19.134552
-1.877482
other
Li5Co3O8
16
12
138.82
mp-1077996
-5.242502
-1.803122
-3.015169
other
Cr1Rh2Se4
7
12
135.23
mp-1079754
-4.147822
-2.029518
-3.355167
other
Ni2P2Se6
10
12
217.81
mp-1206981
8.175245
1.468594
0.012786
other
Ba1Yb2F8
11
12
158.75
mp-6929
11.652164
7.097346
-4.017235
other
Ca2As2O7
11
12
159.63
mp-655147
-5.603606
-6.17375
0.870614
other
Ba11Cd8Bi14
33
12
1,229.49
mp-1174540
6.642011
19.499435
-0.384599
other
Li5Mn3O8
16
12
144.4
mp-1246435
0.038851
2.571297
1.968497
other
Fe2Co1N2
5
12
45.19
mp-2210627
6.74842
13.499826
-1.667975
other
Mg1Co2O4
7
12
73.92
mp-1105460
11.403091
10.164316
1.766558
other
Tb5Mo2O12
19
12
252.7
mp-1218620
-6.276167
-7.256779
3.005553
other
Sr2Cd2Pb2
6
12
185.62
mp-1045574
6.021181
13.23103
-1.471133
other
Li3Ni4O8
15
12
131.91
mp-9146
9.125069
8.724858
-1.003
other
Cd1Hg1O2
4
12
66.25
mp-1408395
6.255556
13.580779
-1.804414
other
Ca2Co3O8
13
12
144.12
mp-604537
-7.890676
-1.476102
2.708273
other
Mn5Ga5Ni10
20
12
236.59
mp-1215342
12.65137
8.973185
2.43664
other
Zr6P2O1
9
12
159.94
mp-1216283
-8.207813
-4.802803
4.717212
other
Y6Ga17Pd5
28
12
504.05
mp-1209792
6.69451
6.122921
-3.799132
other
Rb1Cu2O10
13
12
214.01
mp-29679
0.598891
1.722766
-4.925476
other
Hg4P2Cl4
10
12
251.44
mp-559280
9.018647
13.459739
-1.01973
other
Ti4Fe8O20
32
12
380.41
mp-1238790
9.423377
12.76868
0.711716
other
Gd2Mn4O8
14
12
188.66
mp-1180378
6.847778
6.180312
-3.492301
other
Mg1Br2O6
9
12
155.93
mp-677237
10.881918
8.741996
2.538406
other
Y3U2O10
15
12
188.16
mp-1204447
-2.683993
-2.843122
-5.48412
other
Nd4Tm11S22
37
12
859.48
mp-1102254
-4.611563
-2.94282
-3.579371
other
Cs4Ge2Se6
12
12
467.19
mp-1356833
8.930281
12.703835
-0.904549
other
Al10Fe6O24
40
12
400.06
mp-1284741
11.982665
13.001718
-1.55619
other
Ca2V3O8
13
12
156.83
mp-1188412
-6.696383
-4.758298
5.199425
other
Nd4Mg7Ge6
17
12
388.67
mp-1191712
-6.786294
-0.396891
3.87223
other
Li2Fe12Ge10
24
12
312.76
mp-1216881
-7.143272
-1.535007
6.357614
other
U1Al9Fe3
13
12
194.75
mp-1178319
7.983732
10.603536
1.998337
other
La24Ni16O55
95
12
1,230.92
mp-1016155
8.33337
14.625448
-1.386606
other
Na1Mn4O8
13
12
173.91
mp-1104896
-4.851289
0.30574
-4.825688
other
Tl1V5S8
14
12
256.96
mp-1212541
8.297401
1.397049
-0.211639
other
Rb3Nb1F12
16
12
396.06
mp-1392436
1.371655
2.458535
1.660336
other
Zn4Ni2N4
10
12
125.59
mp-753773
8.546525
14.233318
-1.650064
other
Mn5Sb1O12
18
12
227.87
mp-758539
6.557101
14.1224
-1.890172
other
Li2Co3O6
11
12
98.74
mp-755513
5.336894
12.105831
-2.421958
other
Fe8O12F4
24
12
263.79
mp-755631
8.34576
10.961765
-3.477475
other
Mn4Cr4O16
24
12
326.83
mp-28075
10.808522
11.409956
2.528525
other
K2Ti2O5
9
12
140.62
mp-997090
7.698057
10.813495
-0.911065
other
Pd2Au2O4
8
12
111.06
mp-768227
10.527064
10.847392
3.259019
other
Dy2Nb2O8
12
12
190.25
mp-1224908
-6.369134
-3.463393
0.805226
other
Fe2Ni2Sb12
16
12
376.31
mp-1282794
5.497267
11.009186
-1.731802
other
Ca2Fe3O8
13
12
161.9
mp-756679
11.182576
12.468673
0.079149
other
Mn9Cd1O10
20
12
234.99
mp-12838
-5.259203
-3.780351
6.163306
other
Tm6Fe2Si6
14
12
261.37
mp-755541
9.015522
8.517249
0.1155
other
Cs6Y2O6
14
12
378.8
mp-1237926
-4.53318
-3.943301
-3.871029
other
Lu2Mg2Se6
10
12
282.06
mp-674972
1.372195
2.466106
-5.712856
other
Rb12Pb10Cl32
54
12
1,632.92
mp-726097
12.135086
6.555467
-5.0937
other
Er2P6O12
20
12
442.17
mp-706492
9.341146
13.789687
-0.818543
other
Mn19Fe17O48
84
12
983.18
mp-634381
10.459885
12.328753
-3.781626
other
V2Zn2O7
11
12
132.43
mp-1222527
12.553285
13.675758
-1.308534
other
Li1V3O6
10
12
113.37
mp-1182217
6.485387
6.155809
-4.169009
other
Cd5N2O16
23
12
384.52
mp-1289284
8.640292
15.182255
-0.560757
other
Li6Mn8O16
30
12
311.28
mp-1095303
-4.191718
-1.685502
-5.065771
other
Fe1Bi4S7
12
12
282.55