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-861563
13.533784
9.711359
-0.574371
other
Li6V2Si2O10
20
2
170.54
mp-769615
12.550005
13.075881
-0.408452
other
Li8V6Cr2O16
32
2
303.25
mp-1174216
7.375828
18.354856
-0.390811
other
Li4Mn3Co1O8
16
2
150.75
mp-852960
7.414041
4.797628
-1.673862
other
Te2P2H2O10
16
2
206.96
mp-1305884
12.465719
13.19674
-0.664886
other
Li4Ti4V6O20
34
2
388
mp-2240818
7.107776
11.599643
-0.816756
other
Na4Mg1Co2O6
13
2
158.65
mp-729891
7.564864
5.079296
-2.030785
other
H36Se6N8O24
74
2
986.3
mp-1227551
10.81787
6.856477
-2.190863
other
Ca2Al4Si8O30
44
2
719.42
mp-1247621
6.337204
12.84551
1.052693
other
Sr4Ca12Mn16O48
80
2
894.1
mp-1192547
13.450624
5.607752
-6.184654
other
Ba4U2P4O20
30
2
487.35
mp-1211203
11.321894
11.329403
-1.944299
other
Li2Ce2W4O16
24
2
325.82
mp-2227058
7.358644
13.735616
-1.677692
other
Mg1Mn1Co4O8
14
2
150.07
mp-985575
8.274177
3.695518
-6.45342
other
Li2Ag2C4O8
16
2
204.63
mp-670116
2.284123
2.813844
-4.345906
other
V2I2N2Cl6
12
2
342.35
mp-803661
7.42545
5.008667
-1.701723
other
Li5Co3Sn2O10
20
2
199.89
mp-1204838
8.122105
10.045623
-3.881252
other
Rb8U4Cr8O40
60
2
1,065.02
mp-1340104
8.14384
3.662406
-1.259149
other
Li4Mn4O4F8
20
2
220.74
mp-560898
9.112211
6.772537
-3.894049
other
Na2Pr2Se4O16
24
2
356.3
mp-1213549
8.542761
2.388945
-0.613772
other
Hf3Ni1O6F6
16
2
299.15
mp-1199386
8.288027
3.193801
-4.751046
other
H18C4N18O12
52
2
527.25
mp-1200509
7.266726
1.76438
-3.948146
other
Mn1H36C60N12
109
2
1,060.18
mp-1275591
12.462613
13.191826
-0.673413
other
Li4Ti4V6O20
34
2
388.27
mp-1189292
4.954603
3.005367
-3.793564
other
Tl2C8S8N2
20
2
532.14
mp-1401477
7.688981
5.238009
-2.158234
other
Te2P2H2O10
16
2
206.96
mp-1198052
9.313457
7.424613
-5.200146
other
Al3P6H6O27
42
2
489.55
mp-540462
14.821146
7.902416
-5.522284
other
Li4Cr4P4O16
28
2
350.22
mp-1207546
9.175847
7.708408
-5.403375
other
Zn6Fe2P6O28
42
2
531.5
mp-1219420
13.017811
4.634026
-2.867616
other
Sm2B14H14O34
64
2
655.08
mp-1078551
9.749962
10.336207
1.706311
other
Ba2Nd1Mo1O6
10
2
161.71
mp-757075
12.867346
12.314073
0.262468
other
Li6Ti3V3O12
24
2
229.21
mp-1220490
7.35921
5.692855
-3.825871
other
Rb8Sn2Se8O8
26
2
776.73
mp-2228525
8.796588
14.79178
-0.717675
other
Mg1Mn4Cu1O8
14
2
157.93
mp-1234984
13.322392
7.838148
-6.892904
other
Mg1Fe4P4O16
25
2
377.45
mp-757987
8.288
14.960427
-0.753427
other
Li3Mn3Ni1O8
15
2
145.83
mp-754020
6.722781
13.665057
-1.782518
other
Li2Co2Cu2O8
14
2
135.49
mp-1216203
-7.697758
1.103683
4.891094
other
Y2Fe17C1N1
21
2
265.65
mp-1174863
4.052543
23.05822
-1.245718
other
Li7Mn2Co3O12
24
2
212.73
mp-1174490
3.509713
23.290308
-1.425064
other
Li8Mn2Co4O14
28
2
254.53
mp-1987201
12.519196
7.759367
-6.710194
other
Co4Sb4P8O32
48
2
642.53
mp-1104549
5.866325
5.350067
-3.869097
other
Na2Re1Cl6O6
15
2
361.65
mp-555794
10.375467
12.362416
-3.656495
other
Na2Mg4V6O20
32
2
401.63
mp-753168
9.645519
13.598597
-0.144928
other
Li4Ti3Fe3O12
22
2
230.9
mp-1355420
7.633992
5.958576
-2.429361
other
Ag6Mo6As2O26
40
2
567.29
mp-1191952
-4.54457
-2.80748
-3.501557
other
Cs6Sn2P2Se14
24
2
933.66
mp-542803
10.280422
12.111047
-3.927048
other
V6Zn3Fe4O24
37
2
486.35
mp-818683
12.237918
7.068488
-1.467599
other
Ca4Fe4Si10O30
48
2
577.06
mp-756574
12.878539
9.493354
-0.046649
other
Li12Al8V4O24
48
2
488.62
mp-753784
9.768157
7.916003
-6.252191
other
Li2Ni2P4O14
22
2
257.29
mp-2218024
12.368969
10.609134
2.084305
other
Na2Mg1Nb2O6
11
2
136
mp-557652
12.142621
8.799024
-5.978449
other
Li12Mo12P12O68
104
2
1,320.57
mp-1290640
5.088651
21.337879
-0.934877
other
Li10Mn4Co2O16
32
2
279.73
mp-558073
8.088936
2.273099
-0.896755
other
Sb8Se4I8F44
64
2
1,411.55
mp-850135
11.944937
13.629829
-0.612732
other
Li3V2Cr2O8
15
2
149.17
mp-1202552
8.197945
1.181706
-4.446958
other
As16H24C12O12
64
2
1,012.78
mp-505166
11.284308
11.372219
-2.265227
other
Er1Cu1W2O8
12
2
160.45
mp-780798
9.140564
14.170238
-1.260502
other
Li1Mn2Cr2O8
13
2
143.25
mp-2219009
12.640051
11.062638
2.763532
other
Mg1Nb4N4O4
13
2
179.19
mp-755735
10.032093
0.827493
-1.197815
other
Li2Co4O3F8
17
2
202.81
mp-19180
10.59162
11.522842
-3.960544
other
V2Fe2Mo2O14
20
2
302.31
mp-1200072
11.810839
4.648103
-4.993617
other
Pr2P6H20O28
56
2
606.67
mp-1198182
10.33809
3.885468
-4.330733
other
Ca2H24S4O18
48
2
465.77
mp-1197376
6.414867
5.964041
-3.963697
other
Sr2Re6S8O22
38
2
779.22
mp-1102514
9.927097
6.969639
-3.376642
other
Sc2Se2O6F2
12
2
173.21
mp-1103920
8.223892
2.985509
-1.583806
other
Si1Hg2O4F6
13
2
178.49
mp-1046737
8.492097
8.302794
-2.996552
other
Mg2Si2Ni2O10
16
2
164.68
mp-697808
9.011743
7.920809
-5.409384
other
Li2Fe4P6O26
38
2
516.2
mp-1105494
-4.79122
-5.093523
0.247316
other
K4Cd4Ge4As8
20
2
560.77
mp-1220251
7.083042
11.393593
1.345696
other
Nd4Mn1Ni3O12
20
2
232.51
mp-619775
-1.03685
1.409778
-1.795159
other
Y14C4I24N2
44
2
1,605.87
mp-19209
10.790615
11.0631
-3.919317
other
Li2Al2Mo4O16
24
2
316.48
mp-755509
12.419446
9.041984
-0.134334
other
Li4Mn4Al4O12
24
2
277.11
mp-2226543
11.774156
-0.593369
0.4689
other
Mg1Mn4O4F6
15
2
192.16
mp-556085
-3.523894
-1.248495
-5.427479
other
Rb8Li4Ta4S16
32
2
947.16
mp-559430
11.109147
11.063672
-3.561935
other
Na6U2Mo4O21
33
2
495.11
mp-754473
11.587453
13.663497
-0.582533
other
Li10Mn4V6O20
40
2
385.83
mp-1042339
12.199134
11.179654
-1.326169
other
Y2Fe2W4O16
24
2
306.39
mp-24474
14.255164
7.772093
-5.326329
other
Fe7P6H4O24
41
2
455
mp-1378757
13.999567
7.163033
-6.826011
other
Mg4Mn4P8O28
44
2
529.81
mp-559033
3.987681
2.810933
-4.048584
other
V2S4N6Cl4
16
2
334.75
mp-26731
14.998397
8.148547
-5.062837
other
Li4V2P4O14
24
2
271.92
mp-1041684
14.517157
7.943608
-4.020045
other
Mg2Ti2P4O14
22
2
252.17
mp-1198382
7.092486
0.247639
-3.918072
other
Co2B20H46C26
94
2
893.33
mp-1225532
6.304228
5.951919
-4.371973
other
K4Re6S8O14
32
2
669.98
mp-669465
3.157463
2.876417
-4.082672
other
Te4S8N6Cl18
36
2
1,021.45
mp-780850
14.679676
5.287734
-2.622799
other
Li6Mn8B8O24
46
2
503.27
mp-561342
11.310987
11.131215
-3.623486
other
Na12U2Mo8O36
58
2
910.47
mp-1047169
10.779194
11.47788
-2.451864
other
Al1Ag1W2O8
12
2
144.39
mp-1175638
3.422208
23.516003
-1.450521
other
Li9Mn2Co5O16
32
2
289.74
mp-1176947
12.780227
8.695458
-7.921562
other
Li12V6P16O58
92
2
1,161.08
mp-24345
10.20112
3.973276
-4.548556
other
Zn1H12S2O12
27
2
299.79
mp-17738
9.520915
7.022198
-3.482972
other
Sr4Cu2Se6O18
30
2
470.52
mp-26795
11.511392
7.461648
-6.759977
other
Li2Cu10P6O26
44
2
509.7
mp-1205187
8.200296
4.926597
-3.946482
other
Sr2H16Cl4O24
46
2
538.3
mp-759309
8.666531
14.587384
-0.994025
other
Li3Ti3Mn9O24
39
2
454.62
mp-1103683
11.733094
11.30162
-2.61881
other
Tm2W2Cl2O8
14
2
248.7
mp-768748
10.90375
13.511382
-0.043382
other
Li8Cr6Ga2O16
32
2
295.04
mp-1205200
7.714232
4.321704
-4.636332
other
Zn4H32N24O48
108
2
1,195.05
mp-1221183
10.601859
6.954203
-2.029859
other
Na8Nb4Si16O53
81
2
1,192.33
mp-2217137
8.937905
3.47743
-7.557924
other
Mg1V1C2O6
10
2
110.64
mp-1180244
5.733444
5.335598
-3.86907
other
Na2Pt1Cl6O6
15
2
340.11