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-1189598
-2.767516
-2.538868
-5.885052
other
Y6Ga2S12
20
36
457.91
mp-7646
7.451638
8.691137
-0.803436
other
Cs4Pr2O6
12
36
312.13
mp-1373133
12.327487
10.475279
0.35751
other
Ca6W4O14
24
36
323.73
mp-1367827
5.740385
11.526434
-0.1701
other
Ca6Co4O14
24
36
269.52
mp-643009
3.350291
-0.672721
-2.498215
other
Sr2Mg2H8
12
36
148.71
mp-768573
10.597064
8.415826
2.754265
other
Lu6Al2O12
20
36
248.26
mp-754692
10.506134
7.091633
-2.846718
other
Bi4B2O10
16
36
212.51
mp-1227853
12.741282
11.261347
1.952364
other
Ba4Ti24O44
72
36
846.57
mp-22756
6.263662
8.692292
-0.908438
other
K4Pb2O6
12
36
223.19
mp-1371689
5.78444
11.227865
-1.682832
other
Zn6Fe4O14
24
36
250.64
mp-755782
7.400727
12.248012
-1.408202
other
Na2Co4O6
12
36
157.02
mp-4187
3.124839
2.651344
1.382843
other
Ge4N4O2
10
36
138.24
mp-1078932
5.488738
-0.210951
-2.940429
other
Ca2B4H4
10
36
109.04
mp-561242
-4.085757
-0.432415
-4.28109
other
Ta2Ag2S6
10
36
189.64
mp-1194006
10.039568
7.333532
-2.209857
other
Be8Si4O18
30
36
282.39
mp-1246476
2.902291
2.42824
1.62979
other
Si4Ag2N6
12
36
131.48
mp-13664
10.426688
10.959933
3.43772
other
Sr4Ta4O14
22
36
309.44
mp-685935
11.624521
7.460697
-1.001341
other
Cd2Ge2O6
10
36
154.93
mp-754743
10.711618
11.048426
0.202074
other
Na8Fe4O8
20
36
270.9
mp-1202784
-8.69156
-0.177278
2.366064
other
Y2Ni24B12
38
36
377.16
mp-778878
9.669891
10.767773
0.690382
other
Ba4Li16O12
32
36
365
mp-4163
9.912772
10.931464
3.077952
other
Ca6Ti4O14
24
36
287.28
mp-761568
6.822572
10.234435
-0.71603
other
Rb4Co2O6
12
36
207.34
mp-1202698
-8.730671
-0.17865
2.402133
other
Nd2Ni24B12
38
36
392.97
mp-705638
8.717901
13.120185
-1.365803
other
Fe42H2O64
108
36
1,252.1
mp-1029368
0.954921
2.480126
1.869862
other
Mg4V2N6
12
36
144.36
mp-676597
-4.803648
-2.551877
-3.317122
other
Ba2V2Se6
10
36
254.62
mp-1216083
-2.749369
-2.621136
-5.796667
other
Y4Mg2S8
14
36
303.18
mp-1218526
7.247889
9.06814
-0.146921
other
Sr4Tl4O10
18
36
283.57
mp-1029458
1.071509
2.48542
1.895284
other
Zn4Cr2N6
12
36
136.05
mp-555321
9.086033
0.68267
0.715207
other
Ba2Ni2F8
12
36
174.72
mp-557241
8.559299
5.847997
-3.005899
other
Li4V8O20
32
36
382.02
mp-867981
7.911901
7.871482
-3.648097
other
Mg12P8O48
68
36
996.49
mp-1246667
0.432686
2.530228
1.797137
other
Mn4Co2N4
10
36
109.8
mp-673846
8.698414
9.653001
2.309682
other
La12Cu6O24
42
36
578.34
mp-1194035
-7.020195
-4.550952
5.330694
other
Dy8Zn10Ge12
30
36
608.19
mp-1258775
8.936812
13.990592
-0.796411
other
Mn6Al6O18
30
36
305.46
mp-1213305
10.699335
10.750852
3.353976
other
Eu4Ta4O14
22
36
307.9
mp-1378205
5.80187
10.786315
-1.572155
other
Mg6Fe4O14
24
36
243.85
mp-1379572
5.855791
13.466668
-1.790591
other
Mg6Co4O14
24
36
225.5
mp-1029334
2.075741
2.169239
1.556785
other
Zn8Sb4N12
24
36
310.96
mp-1193486
-7.084943
-4.62075
5.328693
other
Ho8Zn10Ge12
30
36
601.53
mp-755650
9.811778
8.408867
3.104367
other
Gd6Y2O12
20
36
298.53
mp-1225958
6.746036
6.233181
-3.783537
other
Ho2Br6O36
44
36
854.39
mp-1368730
12.622917
11.492002
-0.924716
other
Mg6Mo4O14
24
36
271.77
mp-1004762
8.394683
14.74
-1.403085
other
Li2Mn8O16
26
36
273.9
mp-562667
6.104823
5.00861
-4.485639
other
Ag6N10O12
28
36
386.15
mp-754857
11.938627
11.110546
2.071608
other
Nb4Ge4O14
22
36
309.4
mp-19042
6.789529
12.17617
1.492466
other
Ca6Mn4O14
24
36
266.75
mp-14588
-4.783911
-2.429547
-3.444265
other
Na4Pt2Se4
10
36
224.32
mp-1345265
7.739202
9.187618
-0.72621
other
Ta4Bi4O18
26
36
364.24
mp-1247071
0.456023
2.412032
1.91743
other
Mn4Os2N6
12
36
119.28
mp-756656
9.557217
8.480261
2.648332
other
Gd6In2O12
20
36
295.43
mp-626785
10.670172
4.286365
-3.832455
other
K2H2O2
6
36
80.65
mp-1245455
0.58132
2.171704
1.996514
other
Li2Re4N6
12
36
157.68
mp-1247419
2.387896
2.475629
1.609743
other
Ge4Se2N4
10
36
172.54
mp-758845
9.909727
9.836956
3.158493
other
Ba10Nb4O20
34
36
604.75
mp-1213718
7.522686
8.627715
-0.465665
other
Cs4Tb2O6
12
36
294.71
mp-756427
-3.666182
-1.344981
-5.47309
other
Li10Sb2S8
20
36
375.49
mp-606121
-6.561643
-4.887941
0.756144
other
Ce4Bi10Rh6
20
36
483.98
mp-18765
8.500915
11.047361
-0.162876
other
Na4Ni2O4
10
36
121.51
mp-23446
10.886072
7.943611
-1.496462
other
Ge2Bi4O10
16
36
232.43
mp-568476
-7.048372
-4.668686
0.734683
other
Bi4Pd8Pb4
16
36
339.25
mp-1245824
2.273054
2.128198
1.512493
other
Al2In4N6
12
36
167.79
mp-753033
11.529443
1.502102
2.637217
other
Fe8O2F14
24
36
300.29
mp-1247567
1.090062
2.589017
1.6906
other
Cr2Cu4N6
12
36
128.96
mp-1650409
13.110863
11.477787
0.043256
other
Ca2V10O14
26
36
284.57
mp-1245448
0.471667
2.288361
2.171025
other
Mn4Nb2N6
12
36
127.95
mp-755047
12.460237
12.358395
2.584146
other
Ti6N4O6
16
36
188.52
mp-8973
2.854036
2.327888
1.639712
other
Na2Si4N6
12
36
126.42
mp-28499
12.483807
7.284174
0.41725
other
Al20Ge4O38
62
36
716
mp-1029354
1.070976
2.487057
1.644517
other
Mn2Zn4N6
12
36
134.88
mp-1105484
9.410988
9.267549
2.517066
other
Sm6Fe2O12
20
36
286.14
mp-1188123
-8.33461
-6.22442
2.830065
other
Yb4In10Au6
20
36
473.67
mp-756005
9.700393
12.390236
-1.493009
other
Li4Cr2O6
12
36
134.38
mp-554722
10.335745
8.511758
2.762376
other
Y6Ga2O12
20
36
265.21
mp-1245623
0.729357
2.571348
1.702732
other
Li2Mn4N6
12
36
128.37
mp-1366744
10.565288
9.641726
0.428357
other
Mg6Sb4O14
24
36
289.97
mp-21896
10.700735
11.292347
-2.329547
other
Na4W4O14
22
36
292.85
mp-1218053
-4.145799
-0.204764
-3.746903
other
Ta6Cu4S12
22
36
381.27
mp-1103408
6.478146
2.603089
-2.915296
other
H2C4N6
12
36
70.03
mp-10223
-3.698405
-1.297629
-5.195206
other
Na4Pd2S4
10
36
198.51
mp-1246955
0.265795
2.437892
1.992837
other
V2Fe4N6
12
36
119.05
mp-556850
9.226954
1.366997
1.406231
other
Ba2Mn2F8
12
36
190.84
mp-667310
13.889437
5.491941
-6.756025
other
Al18P18O72
108
36
2,145.2
mp-16189
-6.899572
-4.755837
5.22269
other
Tm8Zn10Ge12
30
36
576.26
mp-1195541
12.030907
6.924259
-4.566756
other
P8Pb8O24
40
36
671.93
mp-27390
8.316297
0.983793
1.659087
other
K10Th2F18
30
36
527.31
mp-754979
10.527209
8.416767
2.749087
other
Y6Al2O12
20
36
260.63
mp-1214096
-2.597252
-2.731049
-5.66891
other
Ca2Er4S8
14
36
324.46
mp-3933
2.584841
2.316383
1.385103
other
Mg4P2N6
12
36
129.07
mp-2995
-3.15749
-2.329154
-5.410383
other
La4Fe4S10
18
36
371.35
mp-1337097
6.517789
8.761256
-0.121698
other
Ca6Bi4O14
24
36
356.27
mp-1246890
0.905466
2.700366
1.853166
other
Al2Fe4N6
12
36
120.66
mp-1133284
8.914948
1.429319
1.191362
other
Tl6Si2F14
22
36
361.32
mp-1200288
-3.410986
-3.971277
0.630253
other
Pr8Si16P48
72
36
1,493.81
mp-753610
-1.225018
1.914225
-1.718546
other
Ba2Ca2I8
12
36
557.76
mp-1179005
10.361131
11.337909
-3.523694
other
V4Re4O22
30
36
434.11
mp-1190266
9.657441
9.359115
0.047349
other
Mn4Bi6O14
24
36
348.15
mp-1212548
-8.670305
-0.150407
2.368961
other
Ho2Ni24B12
38
36
375.64