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-1190557
0.612941
1.968108
-5.256845
other
Hg8Bi2S4Cl10
24
4
735.67
mp-556036
8.98628
0.865585
1.185284
other
Ba6Al4Cu4F32
46
4
652.34
mp-850949
11.509821
7.55424
-2.306642
other
Li4Mn4Si4O16
28
4
291.57
mp-757948
10.360966
12.491475
-4.26799
other
Li2V2O4F4
12
4
154.36
mp-1217501
6.208752
3.469744
-3.263669
other
V4C24N6F18
52
4
881.86
mp-1225081
9.052009
2.814194
-4.643764
other
H40S2N16O26
84
4
775.24
mp-1192895
11.058781
11.011356
0.465416
other
Ba2Dy2Fe8O14
26
4
380.56
mp-1303127
12.9379
7.45441
-1.298317
other
Li6Fe4Si4O16
30
4
361.11
mp-1219313
7.967795
0.616794
-4.373663
other
Si2H16C8F6
32
4
474.92
mp-1193290
7.044457
6.677974
-4.308342
other
K2Ni2P2O20
26
4
452.32
mp-758039
7.984218
4.54282
-6.649889
other
Li2Fe4C8O24
38
4
573.32
mp-1202363
8.289511
7.871399
-4.971753
other
V12S8N4O48
72
4
1,283.79
mp-1220949
11.776749
7.335485
-7.416818
other
Na14Fe8P18O64
104
4
1,323.54
mp-759141
12.699772
6.699229
-6.697328
other
Li2Bi2P8O24
36
4
486.21
mp-1104249
10.023658
6.517436
-2.811242
other
Li2Nd2B2O8
14
4
160.04
mp-777277
9.256639
14.060503
-1.220806
other
Li8Cr12Cu4O32
56
4
580.1
mp-975577
11.70456
7.183863
-3.701946
other
K6La2As4O16
28
4
459.3
mp-1224957
-6.27577
0.045444
3.300673
other
Fe6Mo12Rh2N4
24
4
299.28
mp-18953
10.340753
12.265479
-4.379689
other
Na2V2O4F4
12
4
161.4
mp-1227734
8.119834
11.537559
1.626087
other
Ca6Ti2Fe4O16
28
4
347.77
mp-1224938
-6.341561
0.047368
3.396599
other
Fe6Mo12Pd2N4
24
4
301.36
mp-772979
12.009215
7.636936
-0.916979
other
Li6Zn6Ge12O32
56
4
592.81
mp-1213689
13.638918
6.429035
-6.111822
other
Cs2Ce2P8O24
36
4
603.08
mp-704962
11.04952
8.12111
-7.779339
other
Li6Mn6P8O32
52
4
588.69
mp-779348
11.778959
12.093361
2.223902
other
Ta8Cr4N4O20
36
4
420.07
mp-1193268
8.766677
3.926485
-6.332837
other
Cu6H4C4O16
30
4
315.86
mp-27027
11.171634
7.805259
-7.614039
other
Li6Fe6P8O32
52
4
637.63
mp-605108
11.728292
4.516172
-4.947513
other
Al4P6H22O26
58
4
590.15
mp-767576
9.313971
12.842135
0.044349
other
Li24Mn4O16F4
48
4
450.9
mp-26861
11.065845
7.953064
-7.231267
other
Li2Co2P8O24
36
4
501.82
mp-753908
8.958474
15.08799
-0.552847
other
Li4Mn8O12F4
28
4
338.42
mp-763619
13.668767
7.603979
-0.796351
other
Li4Fe2Si4O12
22
4
255.06
mp-755835
13.767573
4.607282
-2.261008
other
Li2Bi2B4O10
18
4
177.52
mp-1662205
12.568661
7.637164
-7.451694
other
Li4Co4P4O16
28
4
348.3
mp-648805
5.620615
3.298931
-4.706845
other
Os14C38S2O38
92
4
1,547.85
mp-560117
12.143374
7.393707
-7.614088
other
Cs2Mn2P8O24
36
4
545.16
mp-753810
11.988163
7.446107
-1.624349
other
Li4Si2Ni2O8
16
4
175.91
mp-778608
9.262757
12.526816
-0.026137
other
Li12Fe2O8F2
24
4
227.41
mp-1227646
12.66353
4.192085
-3.059183
other
Be4B2H6O10
22
4
185.94
mp-1221035
13.290586
7.115635
-7.085711
other
Na14Cr8P18O64
104
4
1,310.25
mp-883454
13.92331
8.107296
-1.041566
other
Li4Fe10Si10O32
56
4
722.12
mp-1225822
8.616832
7.997386
-3.140507
other
Cu10Se2Cl10O8
30
4
574.71
mp-1196451
1.113794
2.213811
-5.410825
other
Ga6Sb14S16Cl28
64
4
1,871.49
mp-757978
13.652548
8.626415
-5.525072
other
Li4P12W8O52
76
4
1,159.93
mp-770155
14.166015
8.070385
-3.250734
other
Li6V6B4O20
36
4
340.64
mp-1223704
1.483977
2.253426
-5.596196
other
K2Al2Cl4O2
10
4
250.79
mp-754619
14.459851
7.373528
-6.298779
other
Li4Cr2P4O14
24
4
305.41
mp-1237015
6.846942
6.08687
-4.001327
other
Ca2As2N2O22
28
4
470.23
mp-1194926
12.931856
5.739375
-5.864031
other
Cs12Gd4P8O32
56
4
1,127.34
mp-774397
7.747816
14.421023
-1.278569
other
Li8Mn4Co10O24
46
4
429.77
mp-759028
13.874478
7.365241
-5.810105
other
Li6Sb6P8O32
52
4
676.44
mp-772783
10.850597
12.470143
1.989539
other
Li4Mg6Ti12O32
54
4
608.19
mp-1226061
-5.592238
-1.437647
-3.319946
other
Co2Ni2As4S4
12
4
178.28
mp-780703
14.251654
7.430398
-5.179775
other
Li2Cu4P2O8
16
4
176.06
mp-1218880
12.258173
7.516862
0.655701
other
Sr4Al6Fe2O16
28
4
407.84
mp-1180560
8.404168
3.741594
-6.649055
other
Na2Y2C8O20
32
4
482.96
mp-1360682
10.21312
7.832899
-2.231818
other
Ca2Cu4Ge8O24
38
4
478.19
mp-567227
12.599403
6.672341
-6.855752
other
K16Ni8P16O56
96
4
1,414.11
mp-1318721
10.03609
12.218913
0.22192
other
Li20Mn4O12F4
40
4
424.42
mp-1228744
14.558132
8.309464
-6.009192
other
Ba6V8P12O48
74
4
1,021.18
mp-1181795
4.040795
2.726406
-3.560335
other
Hg4C16Br12N4
36
4
1,385.53
mp-1205325
3.425066
-0.687875
-2.454709
other
K2Na4Al2H12
20
4
252.62
mp-26341
13.794715
7.035582
-6.001472
other
Li2Sb2P4O14
22
4
324
mp-758173
12.993085
7.452314
-1.273605
other
Li6Fe4Si4O16
30
4
360.02
mp-1197096
9.459837
7.596573
-5.498909
other
Ti4P8H8O36
56
4
786.99
mp-758140
14.21192
7.293723
-6.018431
other
Li2Ti2P8O24
36
4
476.02
mp-977037
13.852052
6.727594
-6.019745
other
K2Ce2P8O24
36
4
494.97
mp-758240
14.185699
7.248502
-5.987283
other
Li2Ti2P8O24
36
4
506.78
mp-1227499
12.467924
6.768406
0.235626
other
Ca4Al4Si2O14
24
4
308.18
mp-758960
10.544409
13.115565
-0.123981
other
Li8Ti4Fe10O24
46
4
460.25
mp-556531
13.120914
5.809988
-1.15205
other
Li8Si16B8O48
80
4
907.72
mp-18311
11.181264
10.914722
-2.245539
other
Ba2Te2W4O18
26
4
387.02
mp-1224743
14.177731
8.194382
-5.754477
other
Fe4Ni2P4O16
26
4
304.5
mp-1199585
7.542427
7.064495
-3.50087
other
La2Mo2I8O30
42
4
674.68
mp-1209169
9.196057
7.903221
-3.966524
other
Rb4V4Se4O20
32
4
548.19
mp-1224753
9.981485
4.649937
-6.187573
other
K10H6S8O36
60
4
923.73
mp-704197
13.77738
8.587037
-6.598782
other
Li8Mo4P8O32
52
4
600.69
mp-753262
12.98582
6.634926
-1.065392
other
Li8Co4Si12O32
56
4
716.52
mp-1354988
9.400714
7.978115
-4.508588
other
Ca2Cu4As8O28
42
4
588.07
mp-25996
10.758535
7.908481
-7.102647
other
Li12Co4P8O32
56
4
680.85
mp-697914
11.955159
4.988984
-5.15519
other
Zr2P4H12O20
38
4
452.87
mp-560016
14.607366
5.385445
-6.977864
other
Na4Nb8P4O32
48
4
689.02
mp-849405
6.672155
13.054019
-1.3479
other
Li8Cu4Ni10O24
46
4
428.65
mp-1047474
12.256053
10.70795
-1.524114
other
Zn4As4W4O20
32
4
493.14
mp-758717
8.001404
4.907955
-6.474231
other
Li2Co4C8O24
38
4
565.8
mp-1208416
9.019303
7.733657
-5.106778
other
Ti6P8N4O36
54
4
784.76
mp-756392
13.460189
7.118233
-0.75092
other
Li2Cu2Si4O10
18
4
215.89
mp-1239154
-5.52248
-0.209767
-5.670364
other
Nb4Cr12Cu8S32
56
4
946.94
mp-1200615
13.00501
6.564493
-6.896375
other
Li16Zn4P8O32
60
4
678.07
mp-1223432
13.992891
8.837996
-6.742026
other
K2V6P8O32
48
4
652.48
mp-1193955
11.432465
4.167277
-4.12513
other
Mg2Si2H12O12
28
4
197.76
mp-1194202
11.08071
11.011713
0.465933
other
Ba2Ho2Fe8O14
26
4
376.68
mp-1197321
10.197482
5.960046
-3.343715
other
K4Al2B10O28
44
4
661.88
mp-725603
12.613137
6.017933
-6.711828
other
Zr2P4C2O12
20
4
318.79
mp-1104447
-3.380356
-1.665205
-5.605059
other
K2Gd2Ge2S8
14
4
369.08
mp-1189398
8.412124
7.561778
-3.963018
other
K2U2Si2O14
20
4
323.2
mp-26719
14.016307
7.922953
-6.847737
other
Li2V2P8O24
36
4
521.42
mp-1222156
13.765247
7.826197
-7.23603
other
Mn10Cu2P8O32
52
4
642.56
mp-1192172
-2.758892
-2.550656
-5.662794
other
La6Ga2Fe2S14
24
4
545.26
mp-752506
11.551717
7.513182
-7.51189
other
Na2Fe2P4O14
22
4
277.48