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-767304
10.980597
-0.24884
0.770731
other
Li2Mn4F12
18
14
218.56
mp-754932
10.495808
11.344378
0.28357
other
Na4Mn4O6
14
14
205.4
mp-753242
10.619118
-0.082198
0.246512
other
Li4Mn4F16
24
14
279.15
mp-1207656
8.478082
1.673361
-0.118987
other
Y4Pt4F28
36
14
500.65
mp-1189272
-5.993157
-3.469901
-1.897393
other
Cs4Al4Te12
20
14
828.44
mp-1182377
6.695955
9.453786
-1.746856
other
Ba4Cu2O12
18
14
312.05
mp-1177792
10.043783
2.637425
2.138883
other
Li16V8F32
56
14
645.52
mp-941221
6.313627
0.417567
-3.494304
other
Li6B30H30
66
181
651.87
mp-557624
14.116773
7.094383
-4.604345
other
Ce3P3O12
18
181
284.66
mp-571428
-8.589141
-0.009939
2.69825
other
Mg3Ni9B6
18
181
176.67
mp-562607
7.761811
5.172285
-2.297496
other
Al3P3O12
18
181
274.16
mp-19752
10.69427
7.747867
-6.818231
other
Fe6P6O24
36
181
572.72
mp-560151
13.771545
5.523643
-7.081494
other
Al3P3O12
18
181
254.84
mp-556372
11.290005
3.815734
-7.513911
other
Ca3S3O12
18
181
264.69
mp-685414
-4.003188
-4.265473
-3.612279
other
Tb22Cu2Se32
56
18
1,329.13
mp-1042295
6.750498
13.395141
-1.739499
other
Zn4Co8O16
28
18
276.37
mp-755472
7.84696
9.454798
1.234422
other
Ba4Cu4O8
16
18
254.88
mp-619475
9.339622
0.314121
0.707855
other
Rb4Fe4F16
24
18
388.2
mp-1221578
11.849084
8.337528
-5.755371
other
Mo2P4O16
22
18
276.54
mp-1218773
-3.311992
-1.635827
-5.566458
other
Sr8Sn4S20
32
18
764.33
mp-1204721
-2.660632
-2.683953
-5.744159
other
Tb12In4S24
40
18
870.14
mp-1197390
-2.715156
-2.669841
-5.806825
other
Lu12In4S24
40
18
825.3
mp-1180988
7.51275
4.645521
-4.565524
other
H12N8O18
38
18
464.1
mp-779706
10.200459
8.360167
-2.826725
other
Ag4Ge4O12
20
18
292.26
mp-1227114
1.71679
1.82041
1.211421
other
Ca14Tl2N8
24
18
506.21
mp-1199841
-2.702422
-2.628038
-5.727911
other
Dy12In4S24
40
18
861.75
mp-1203491
-2.721511
-2.619196
-5.766523
other
Ho12In4S24
40
18
855.21
mp-1213236
8.045885
6.565744
-4.855331
other
La4P12O56
72
18
1,259.24
mp-699382
11.460575
10.868641
-3.362144
other
Fe8Mo12O48
68
18
992.2
mp-1215197
10.563005
11.722817
2.931369
other
Zr2Ti2O8
12
18
136.78
mp-1205265
6.971104
6.232584
-4.005456
other
Na8As4O32
44
18
722.58
mp-1196485
-2.785841
-2.632229
-5.619724
other
Sm12In4S24
40
18
909.84
mp-1203446
8.732783
1.405536
1.484824
other
Ca10Zr6F44
60
18
767.64
mp-1227664
1.74472
1.824011
1.236536
other
Ca14In2N8
24
18
513.68
mp-568525
-4.559653
-3.205784
-3.787004
other
Sr16Sn8Se40
64
18
1,771.67
mp-1220141
-6.394729
-3.745497
0.066218
other
Ni16Bi16S2
34
18
776.71
mp-675160
-2.818882
-2.989952
-4.560106
other
Ce22Mn2S32
56
18
1,240.52
mp-680136
-4.791309
-2.8375
-3.980229
other
Cd26In52Se108
186
18
5,637.02
mp-27322
10.62236
9.872791
-1.472452
other
Nb4Te6O22
32
18
499.33
mp-554775
7.629549
9.915698
0.838861
other
Ca4Cu4O8
16
18
194.74
mp-29085
8.653596
1.419819
1.491036
other
Sr10Zr6F44
60
18
809.31
mp-27230
10.621586
5.744583
-5.366926
other
As4S2O12
18
18
258.82
mp-1641378
10.469403
9.520076
-2.110793
other
Mn4Te8O20
32
18
500.1
mp-1224305
10.537834
11.546384
2.925335
other
Hf2Ti2O8
12
18
137.36
mp-1216371
8.628662
1.861605
2.4605
other
Y24O20F32
76
18
1,029.36
mp-1201568
-2.731125
-2.601867
-5.760131
other
Y12In4S24
40
18
865.96
mp-1203734
8.390706
6.541394
-4.955482
other
Ce4P12O56
72
18
1,169.61
mp-626155
8.101614
4.383969
-4.573548
other
H8N4O6
18
18
227.57
mp-1201973
-2.763294
-2.590973
-5.656175
other
Gd12In4S24
40
18
892.93
mp-1182185
-2.420305
-0.61129
-4.992526
other
Ba4S16O4
24
18
665.35
mp-29499
-3.922623
-0.517743
-2.427626
other
Re12Te32Cl12
56
18
1,782.65
mp-1216390
-5.154674
-0.040101
2.995642
other
V4Cr4C4
12
18
124.27
mp-560318
11.261344
11.301284
-3.063097
other
Al8W12O48
68
18
1,107.11
mp-1214923
8.921634
1.069066
1.001964
other
Al4Ag4F16
24
18
306.98
mp-1180026
7.819913
7.00386
-4.875852
other
P8N8O20
36
18
753.43
mp-1216061
-3.171017
-2.082282
-5.441385
other
Yb8Sn4S20
32
18
671.1
mp-1211188
8.198256
6.833416
-5.042205
other
Pr4P12O56
72
18
1,245.86
mp-1203475
-2.67189
-2.715745
-5.743306
other
Tm12In4S24
40
18
836.31
mp-1201644
-2.731597
-2.663763
-5.554839
other
Sc12In4S24
40
18
764.62
mp-531712
-3.876106
-4.250856
-3.623794
other
Yb2Pr22Se32
56
18
1,455.41
mp-1204068
-3.186256
-2.209036
-5.272895
other
Yb12In4S24
40
18
900.02
mp-648932
-2.873274
-0.148867
-4.73967
other
Nb8P4S40
52
18
1,399.37
mp-1211851
9.402344
0.456197
-0.064417
other
K4Co4F16
24
18
349.88
mp-2861076
7.925872
17.590387
-0.098905
other
Li4Mn4O8
16
18
152
mp-1188168
6.398199
4.730422
-4.528576
other
C4N4O10
18
18
365.79
mp-1173139
11.890333
11.383462
2.139854
other
Ta12Fe6O36
54
18
649.65
mp-540877
-2.662461
-2.58472
-5.551283
other
La12In4S24
40
18
972.03
mp-1198756
-2.759561
-2.672593
-5.681137
other
Nd12In4S24
40
18
929.04
mp-630376
-3.380423
-1.58482
-5.361261
other
Sb12Pb12S34
58
18
1,459.75
mp-1181328
7.498582
4.653387
-4.551077
other
H12N8O18
38
18
447.35
mp-1029640
1.393508
1.832288
1.263236
other
Ba6Os2N6
14
176
332.31
mp-15307
-7.586623
-2.478418
4.299885
other
Er6Si18Rh30
54
176
819.27
mp-625915
11.596146
4.74907
-3.279093
other
Ce2H6O6
14
176
141.08
mp-567514
-5.83099
-4.502721
1.169683
other
Ce18Sb32Cl6
56
176
1,610.55
mp-1199839
11.900539
6.699183
-4.620929
other
P6Pb10O26
42
176
621.5
mp-1211502
11.015287
6.369176
-1.868418
other
La10B6O26
42
176
544.56
mp-625467
10.232533
4.485517
-4.086363
other
Eu2H6O6
14
176
132.05
mp-768920
9.522705
6.911553
-3.358936
other
Ho4Se6O18
28
176
516.48
mp-1245769
1.666982
2.447859
1.333434
other
V2Pb6N6
14
176
341.6
mp-1215043
6.911932
6.390586
-4.117944
other
Ca6Al12O72
90
176
2,027.07
mp-1246120
1.715006
2.42552
0.956552
other
Cr2In6N6
14
176
282.77
mp-21793
-7.524916
-2.486599
4.309939
other
Ho6Si18Rh30
54
176
800.26
mp-1211507
-7.049596
-1.048097
4.40807
other
Lu6Co30Si18
54
176
662.74
mp-1246311
1.801242
1.793257
1.434703
other
Sr6Al2N6
14
176
274.29
mp-1245925
1.448522
1.865878
1.429249
other
Ba6V2N6
14
176
343.7
mp-1211636
-5.655086
-1.62647
0.74353
other
Sm30Ni56P42
128
176
2,004.72
mp-557003
12.594173
10.858679
-0.852422
other
Sn10W16O44
70
176
1,027.33
mp-769997
10.276158
11.016311
2.869691
other
La4Ti6O18
28
176
455.25
mp-772220
10.951685
11.747172
2.958788
other
Li6Ta14O38
58
176
693.46
mp-1193311
10.244905
10.41328
-3.84028
other
Mo6N2O18
26
176
398.47
mp-1246100
1.885673
2.452984
1.36684
other
Ti2Pb6N6
14
176
364.16
mp-1029719
1.155647
2.096744
1.576118
other
Ca6Mo2N6
14
176
247.86
mp-1202432
-6.42702
-9.306441
3.657948
other
K6Mg36Pb22
64
176
1,802.56
mp-1190085
-8.524832
-0.618892
4.213381
other
Zr2B8Ir6
16
176
176.66
mp-1209148
-8.162663
-2.691293
3.897088
other
Sm6Ge18Rh30
54
176
883.94
mp-570000
-0.932405
1.297414
-4.252237
other
K6Mo4Br18
28
176
887.73
mp-1245518
1.619054
1.767282
1.329547
other
Sr6Y2N6
14
176
319.24
mp-778001
6.468196
5.865992
-3.565438
other
Tm2Cl6O24
32
176
418.21
mp-558672
12.296793
6.731411
-1.196135
other
Si6Bi4O18
28
176
382.04
mp-1210217
11.94967
6.911413
-4.16724
other
P6Pb10O24
40
176
636.49