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-637242
4.65434
2.236459
-3.033228
other
Rb4C8N12
24
57
448.55
mp-1176706
10.398423
1.78952
2.201276
other
Li4Fe4F12
20
57
234.24
mp-1208569
-7.985153
-3.637884
5.002049
other
Tb12Ge8Rh8
28
57
575.65
mp-1246596
1.770444
2.169358
1.218202
other
Li8Cu4N4
16
57
181.23
mp-626778
10.713277
4.335984
-3.932029
other
Na4H4O4
12
57
111.96
mp-1208150
-5.798985
-4.226403
0.841927
other
Th4Cr4Sb12
20
57
507.27
mp-570956
-6.195223
-3.943285
0.774483
other
Nd8Co8Sb24
40
57
961.21
mp-1041477
8.813907
14.826838
-0.659557
other
Mn8Zn4O16
28
57
290.37
mp-4648
8.380556
1.808031
-0.333906
other
K4Te4F20
28
57
476.48
mp-570394
-6.16703
-4.036663
0.87647
other
Pr12Ni12Sb36
60
57
1,475.08
mp-1201723
8.819549
2.01385
1.154421
other
Sn12Sb4F36
52
57
883.14
mp-1213955
6.326979
5.426473
-4.385176
other
Cd4N4O20
28
57
415.53
mp-29594
2.446363
2.055472
1.598013
other
La20B16N36
72
57
959
mp-772534
-2.597994
-2.227886
-5.645726
other
La24S24Cl24
72
57
2,085.71
mp-1041629
6.722147
13.528113
-1.684431
other
Mg4Co8O16
28
57
272.42
mp-1208957
-5.681386
-3.655479
6.129043
other
Sm12Si8Ru8
28
57
588.99
mp-22330
10.879051
12.220053
-3.344942
other
Tl4V4O12
20
57
331.93
mp-1041928
8.892854
14.795762
-0.325369
other
Mg4Mn8O16
28
57
287.16
mp-679999
-0.536139
1.859941
-4.076544
other
Re12Se28Cl28
68
57
1,822.46
mp-29940
8.294972
2.494372
-0.960209
other
Sb4Cl4F40
48
57
702.73
mp-1080849
0.837759
2.314766
1.875758
other
K8Re8N16
32
57
577.2
mp-1200999
-6.22327
-3.908991
0.812289
other
Pr8Fe8Sb24
40
57
971.19
mp-1047695
6.950875
9.770597
-1.530266
other
Mg4Ag8O16
28
57
338.75
mp-28946
8.135727
1.946672
0.955848
other
Bi12N4F24
40
57
636.83
mp-760991
12.976799
10.377736
2.160881
other
Na4Nb8O16
28
57
366.38
mp-759657
9.764653
0.431862
-0.164282
other
Li24Cu8F48
80
57
823.89
mp-1203186
6.408296
6.206841
-4.139566
other
Hg4N4O20
28
57
465.7
mp-569538
-6.189267
-4.107622
0.910865
other
La8Ni8Sb24
40
57
997.61
mp-16903
8.509672
1.7241
0.778533
other
Sr4Sb4F20
28
57
430.13
mp-1226461
7.446375
7.140659
-4.068441
other
Lu16I4O52
72
57
1,436.83
mp-779108
13.020933
5.798624
-6.351843
other
Be16P16O56
88
57
973.8
mp-1209485
-7.896996
-4.175384
5.18937
other
Pr12Ge8Rh8
28
57
629.43
mp-27210
8.3749
0.708272
0.493494
other
Rb4Tl4F16
24
57
434.77
mp-1047596
9.945032
8.742866
-0.440046
other
Zn4Bi8O16
28
57
417.48
mp-1198391
-5.268371
-4.318116
0.47782
other
La8Ag8As16
32
57
745.65
mp-779594
11.273916
7.522611
-4.052908
other
Zn16As16O56
88
57
1,266.56
mp-673854
-6.217635
-4.187327
1.15923
other
Nd4V4Sb12
20
57
510.94
mp-1572581
5.99448
10.398981
-0.97082
other
Ca12Co4O24
40
5
519.63
mp-18938
11.475142
10.972599
-3.103909
other
Tl4Mo2O8
14
5
271.88
mp-1196125
7.825558
0.089916
-4.527812
other
Si14H84C28
126
5
1,530.95
mp-2229050
7.768334
10.106865
-3.844412
other
Mg1Cr4O12
17
5
318.89
mp-774387
10.613712
2.751982
1.471342
other
V8O2F22
32
5
435.93
mp-2635564
12.617478
12.175225
0.200273
other
Nb1V1O4
6
5
77.25
mp-626701
11.703527
4.780902
-4.018198
other
Mn2H4O4
10
5
94.65
mp-625635
8.121058
4.332675
-4.600163
other
H4N2O3
9
5
109.66
mp-685869
9.513618
8.605805
-0.555762
other
Zn2Bi76O120
198
5
3,357.11
mp-1220713
-2.758768
-0.142157
-4.829371
other
Nb8P4S42
54
5
1,335.35
mp-1224092
-4.814777
-2.829007
-3.958307
other
In5Ag1Se8
14
5
408.16
mp-2217077
12.356545
11.239264
1.914083
other
Mg1Ti3O6
10
5
159.41
mp-780188
5.986373
12.206552
-1.457035
other
Li6Fe5O12
23
5
217.25
mp-1046291
8.749632
9.099788
-2.281261
other
Bi10Te6O36
52
5
865.61
mp-676290
-3.05238
-1.588918
-5.440029
other
Rb1H1S1
3
5
68.55
mp-1220584
11.053045
11.983478
2.644913
other
Nb9As1O25
35
5
486.36
mp-1223101
-6.394364
-5.36352
2.427865
other
La8Bi3Sb3
14
5
470.76
mp-625488
11.000417
4.035588
-4.005168
other
Zn1H2O2
5
5
42.09
mp-777675
11.838407
12.538918
-2.919551
other
Li3V5O12
20
5
254.69
mp-675822
-2.617151
-2.705867
-5.633565
other
Dy14Pb3S24
41
5
898.5
mp-754788
12.458361
-1.062754
0.975735
other
Mn6O4F8
18
5
217.79
mp-1234144
13.990202
7.364692
-0.809118
other
Ca1Si6O12
19
5
276.19
mp-772749
12.306147
12.751685
2.384758
other
Ti17N6O24
47
5
556.54
mp-1391177
1.868303
1.988351
1.349059
other
Ca4Sn2N4
10
5
172.14
mp-1445974
12.81707
11.976521
-0.444109
other
V4Zn4O8
16
5
184.78
mp-1412329
8.590261
1.480699
0.863702
other
Ca1Ti2F10
13
5
212.34
mp-849379
13.342245
0.453681
1.207135
other
Fe10O9F11
30
5
355.57
mp-1179368
6.771765
6.079445
-3.689839
other
Sr1Cl2O6
9
5
174.36
mp-1226141
-7.411403
0.057099
3.190834
other
Co12B2P2
16
5
159.43
mp-695736
8.465508
2.219009
-0.981556
other
In1O1F2
4
5
64.73
mp-1209541
6.854201
6.327699
-4.016388
other
Se3N3O12
18
5
386.7
mp-763784
10.897248
0.023443
0.912756
other
Li1Mn2F6
9
5
114.05
mp-758804
11.332757
2.899341
1.37955
other
V2O1F5
8
5
102.61
mp-1046138
10.322297
10.862334
-0.990593
other
Ti10Te6O36
52
5
690.51
mp-625619
8.570872
4.673886
-4.189124
other
H4N2O3
9
5
83.47
mp-1273151
5.662251
13.599669
-1.709812
other
Na8Co4O12
24
5
260.56
mp-1295140
5.489002
11.012586
-1.745461
other
Ca4Fe6O16
26
5
320.72
mp-691111
8.749642
13.330506
-1.189438
other
Fe12Co6O24
42
5
454.33
mp-759489
11.525866
12.118194
2.123854
other
Ba2Ti16O32
50
5
621.93
mp-676232
10.769411
3.730328
-3.96572
other
K4H20O12
36
5
363.6
mp-1197095
11.698688
6.871519
-1.518622
other
Si8Pb16O32
56
5
943.57
mp-1180141
-8.572248
-5.7167
3.9021
other
Nd3In3Pd3
9
5
219.22
mp-25317
7.855042
11.575622
-0.442384
other
Li3Cu2O4
9
5
100.05
mp-27036
10.32618
8.154543
-6.744064
other
Cr1P2O7
10
5
115.96
mp-755304
12.808939
-1.193607
0.832021
other
Mn6O5F7
18
5
213.65
mp-850208
10.182918
1.594522
-2.103987
other
Co8O8F8
24
5
247.07
mp-754393
9.068075
15.191519
-0.071898
other
Li5Mn7O12
24
5
233.32
mp-757801
9.557941
8.577484
-0.547956
other
Mn1Bi25O40
66
5
1,118.72
mp-1220604
11.035028
11.966593
2.669059
other
Nb9P1O25
35
5
481.53
mp-1828501
9.330009
2.667946
1.397272
other
Zn2W2F8
12
5
190.29
mp-1198790
10.998254
11.907617
2.576022
other
Nb12W1O33
46
5
668.94
mp-1224528
-6.111033
-3.377594
-2.135225
other
In5Cu1Te8
14
5
489.92
mp-558215
10.414435
9.506049
-1.495777
other
Bi10Mo3O24
37
5
578.32
mp-1182191
7.857681
8.326031
-2.795404
other
Ba2Al4O12
18
5
301.85
mp-2217084
12.786598
11.391236
1.798316
other
Mg1Ti3O6
10
5
115.75
mp-626647
10.645976
4.958657
-3.966259
other
Tl8H8O8
24
5
428.71
mp-1223478
-5.428514
-1.755853
-3.741236
other
K1Cr5Se8
14
5
306.36
mp-1223124
-6.24092
-5.191204
2.102246
other
La6Y2Sb6
14
5
441.55
mp-850393
5.798598
12.383387
-2.485085
other
Fe6O8F4
18
5
196.93
mp-1410915
2.286691
2.243733
1.434537
other
Mg4Sn2N4
10
5
139.35
mp-1648494
4.470018
18.897245
-1.848786
other
Li14Co10O24
48
5
406.37
mp-625565
11.10916
4.216471
-3.951785
other
Cd1H2O2
5
5
52.82
mp-29227
-4.860703
0.308909
-4.692281
other
Tl1V5S8
14
5
237.1