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-978595
7.93608
0.167961
-4.542641
other
Si8H48C16
72
2
720.27
mp-28862
-1.00869
1.255992
-1.741106
other
Y6Ru1I10
17
2
650.08
mp-1100554
7.133816
19.562025
-0.119625
other
Li9Mn7O16
32
2
297.95
mp-1103907
6.496465
5.743899
-4.181803
other
U1N2O8
11
2
215.06
mp-1237236
8.551509
1.852149
0.351012
other
Zn3Rh1F6
10
2
222.11
mp-554022
13.994651
7.148849
-5.314208
other
Sn8P8O28
44
2
674.74
mp-1247423
0.477233
2.793825
1.781235
other
V2Ni8N8
18
2
188.15
mp-705305
14.222559
8.249701
-6.673662
other
V4P12O36
52
2
705.09
mp-1190726
-3.862631
-1.544204
-5.437184
other
Cs8In4S10
22
2
784.94
mp-1202184
-0.705697
1.236762
-4.069191
other
Na1Tc12Br25
38
2
1,148.82
mp-1225412
-7.428206
-1.655028
6.187574
other
Dy6Al8Fe4
18
2
339.2
mp-1247469
0.690576
2.291941
2.150882
other
Ta4Mo4N12
20
2
263.55
mp-626062
11.439145
8.914436
0.554018
other
U3H2O10
15
2
220.13
mp-28376
8.697304
1.642839
-0.585775
other
Cu1Au1F5
7
2
95.17
mp-1284778
8.025222
17.417706
-0.077799
other
Li8Mn8O16
32
2
300.48
mp-756473
1.834217
2.949412
-4.585325
other
W2S2Cl8
12
2
419.87
mp-772957
10.868411
12.89854
-3.466839
other
Sr2V8O20
30
2
384.69
mp-769720
10.166568
10.892653
3.188362
other
La4Ti6O18
28
2
377.04
mp-1379141
6.764093
5.769941
-3.638603
other
Dy2N6O30
38
2
701.82
mp-1247435
0.835628
2.603414
1.748733
other
Mn6Bi6N10
22
2
345.77
mp-1213284
8.118607
2.260582
-0.447643
other
Hg3Rh1F6
10
2
570.49
mp-1211715
8.965866
9.942307
-0.215775
other
K8Cr2O8
18
2
330.23
mp-754379
9.965661
14.94943
-1.452509
other
Mn6O8F4
18
2
196.98
mp-558456
9.46807
7.613895
-3.421807
other
Hg6Se8O10
24
2
524.35
mp-1211821
10.899779
10.863565
-2.281924
other
K24Mo6O30
60
2
1,061.36
mp-1369460
11.063541
10.853082
0.59049
other
Ca4Fe4O8
16
2
251.58
mp-769333
10.27406
10.567636
3.353128
other
Ca8Ta4O18
30
2
427.79
mp-1030950
1.123825
2.560516
1.563673
other
K30W14N38
82
2
1,688.24
mp-13514
13.509533
4.849432
-1.359473
other
Nd4B4O12
20
2
241.14
mp-1247086
0.424629
2.493389
1.772459
other
Co8Ir2N8
18
2
175.33
mp-1100508
7.092391
19.652842
-0.118365
other
Li9Mn7O16
32
2
297.17
mp-568469
1.690999
1.744219
1.444538
other
Ca8Ti2N8
18
2
284.14
mp-667314
1.597028
1.788739
1.419689
other
Ba18Ta4N24
46
2
1,001.43
mp-1275540
8.044727
17.328701
-0.098435
other
Li8Mn8O16
32
2
299.75
mp-1648875
7.034575
19.603081
-0.182828
other
Li14Mn10O24
48
2
440.62
mp-1212875
-7.876869
-3.906434
4.483192
other
Dy4Al24Pt9
37
2
623.81
mp-687096
10.022803
12.09559
-3.934218
other
V4Cu4O14
22
2
279.46
mp-1191392
6.979734
7.622436
-3.808543
other
Mg2Cr2O18
22
2
327.35
mp-1006616
6.289004
5.518758
-4.376389
other
Pr2N6O30
38
2
631.58
mp-773071
8.865644
7.041094
-3.751765
other
Mn6Se8O24
38
2
595.64
mp-1205662
8.824831
2.81891
1.067886
other
Zr3Ni1F6
10
2
440.83
mp-1198381
10.830415
7.384979
-1.95511
other
Si12Pb44O68
124
2
2,210.97
mp-771054
14.395447
9.133517
-2.789482
other
V12P8O32
52
2
629.53
mp-1179390
8.344752
1.020401
1.663625
other
Rb7Th6F32
45
2
790.66
mp-1391107
8.579201
2.564104
-0.778673
other
Ca1Cr2F12
15
2
245.65
mp-16457
13.70997
4.26082
-2.429529
other
Tl12B24O42
78
2
1,045.14
mp-1245904
1.423686
1.747606
2.186435
other
Sr6Ti6N10
22
2
358.97
mp-530892
7.291482
12.031199
1.958023
other
La10Mn12O36
58
2
713.4
mp-704236
11.563878
7.893004
-7.610348
other
Mn4P12O36
52
2
699.88
mp-8890
-3.489112
-1.346192
-5.185743
other
Cs2Sb4S8
14
2
416.92
mp-1188648
-0.188464
0.573662
-2.934811
other
Y6Ni1Br10
17
2
532.08
mp-1214307
8.221498
1.849102
0.159223
other
Cr3Hg1F6
10
2
1,141.85
mp-771048
6.024053
13.241895
-2.608422
other
Fe1Co9O20
30
2
338.52
mp-26304
9.462182
7.698332
-5.864241
other
Cu9P8O32
49
2
614.55
mp-1204175
7.294511
6.650157
-4.347344
other
U6N2O46
54
2
1,003.89
mp-1236870
8.806544
1.831556
1.259469
other
Li3Ta1F6
10
2
179.76
mp-1198109
7.608603
8.120123
-4.118072
other
V10Co2O46
58
2
871.05
mp-27590
6.330139
0.229875
-3.42784
other
Cs2B18H28
48
2
515.7
mp-585323
12.331998
8.06389
-7.524175
other
Cr8P14O48
70
2
884.87
mp-27614
10.587238
12.418342
-3.46659
other
Ca4V4O14
22
2
291.09
mp-1191323
10.362449
10.81629
-3.821774
other
Cu4Mo4O16
24
2
321.98
mp-28194
8.255004
1.893273
-0.90387
other
Bi2Cl2F16
20
2
301.86
mp-1227807
-6.194484
-4.847945
0.018438
other
Bi26Pt6I14
46
2
1,634.43
mp-674484
9.042665
8.845859
2.311008
other
Yb1Ce9O20
30
2
407.11
mp-1346728
7.722484
5.273529
-1.79942
other
Li7Mn5O12
24
2
220.11
mp-21532
11.635443
7.437214
0.243958
other
La8Ge8O28
44
2
634.93
mp-1355355
7.469846
5.435083
-2.381181
other
Co4P8O28
40
2
571.12
mp-1173930
6.599391
18.543564
-0.579446
other
Li4Mn2O6
12
2
105.14
mp-1042761
8.776048
9.157936
-2.910168
other
Fe4Te6O24
34
2
532.04
mp-1312267
6.461127
14.33017
-1.805337
other
Li6Co8O16
30
2
280.86
mp-1245439
0.631031
2.114124
1.959326
other
Ba6V6N10
22
2
373.03
mp-1204604
11.840334
5.32602
-2.787091
other
Ba2B10O20
32
2
393.89
mp-1207767
8.552134
2.08031
-0.046033
other
Zn3Rh1F6
10
2
363.92
mp-1041611
11.694699
11.141558
-2.224384
other
Mo1W2O8
11
2
175.52
mp-675976
7.814689
5.306457
-3.665737
other
K2P2O6
10
2
177.45
mp-674320
9.513473
8.745084
2.91886
other
Ce9Dy1O20
30
2
400.09
mp-851109
-0.243054
0.789076
-3.730441
other
Sr18La10Br66
94
2
2,970.23
mp-675128
10.560926
10.262548
3.196012
other
Sc8Ti6O24
38
2
419.26
mp-1309309
12.559454
13.314226
-1.179715
other
Li4V10O20
34
2
385.9
mp-27006
12.573041
8.882778
-5.718121
other
Mo4P6O24
34
2
482.65
mp-1174283
6.97685
19.82509
-0.151098
other
Li8Mn6O14
28
2
258.37
mp-972106
7.266974
4.989536
-2.066993
other
Tl2I6O18
26
2
335.79
mp-1174119
3.994659
19.625633
-1.801563
other
Li6Co4O10
20
2
178.52
mp-1326425
14.159328
8.650776
-5.067511
other
P4W2O14
20
2
275.65
mp-1205570
8.837532
2.654199
1.210985
other
Hf3Ni1F6
10
2
365.1
mp-1212288
9.920497
9.431633
1.042619
other
Ho4Sb4O16
24
2
296.37
mp-997504
9.431197
0.84988
-0.610208
other
Cu6O2F10
18
2
197.84
mp-1213473
9.521143
8.786794
2.749285
other
Gd8Pd2O14
24
2
345.45
mp-29427
-1.094316
0.924745
-3.902695
other
Ta2Te4Br12
18
2
643.39
mp-757157
6.772476
13.59506
-2.104348
other
Mn1Co4O8
13
2
134.55
mp-697672
12.252157
7.826122
-0.418957
other
Ce4Ge6O18
28
2
353.81
mp-1045032
12.550477
10.60625
2.06655
other
Y4Ti12O24
40
2
524.87
mp-1403957
8.299904
11.092129
-0.147507
other
Mg4Cu4O8
16
2
193.56
mp-1048412
11.134375
9.128968
0.723968
other
Mg4Sn4O8
16
2
266.31
mp-676540
-3.575936
-1.672648
-5.283037
other
Tl2Sb2S4
8
2
244.45
mp-770826
6.831324
12.058722
-1.722395
other
Li16Cr4O20
40
2
355.66
mp-7210
13.72501
4.580387
-2.280137
other
Cd4B4O10
18
2
212
mp-1246648
1.994902
2.116193
1.739668
other
Zr2Zn8N8
18
2
227.99
mp-849985
10.552932
0.953096
-1.345608
other
Co6O4F8
18
2
203.82
mp-997000
7.880331
9.702482
-1.698681
other
Ag2Hg2O4
8
2
131.36