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-761103
10.928261
12.680044
-0.767587
other
Li10V2O8F2
22
4
229.26
mp-753843
10.096745
8.02428
-6.69452
other
Li2Ni4P4O16
26
4
281.05
mp-1201867
10.816258
7.14814
-6.829616
other
Ti6P8N4O32
50
4
795.22
mp-1201574
0.75353
1.912049
-5.088026
other
In4Hg12P6Cl18
40
4
1,145.46
mp-16773
13.223703
5.971354
-6.816805
other
K2Tb2P8O24
36
4
495.67
mp-777338
12.744908
7.34713
-7.577323
other
Li20Ni8P12O48
88
4
926.34
mp-759898
8.251426
3.848109
-7.296832
other
Li8Co4C8O24
44
4
546.31
mp-758979
9.23443
14.608047
-0.195845
other
Li4Ti4Mn10O24
42
4
470.74
mp-767204
12.94176
6.848994
-1.191374
other
Li4V2Si12O30
48
4
607.02
mp-540059
8.804232
7.880674
-4.934239
other
Li8Ni4P8O32
52
4
568.25
mp-1188121
12.204291
4.966155
-5.199337
other
Cs2P2H4O8
16
4
229.81
mp-1262735
12.956805
6.621542
-1.067593
other
Li8Co4Si12O32
56
4
727.2
mp-1228681
1.213563
2.020321
1.434177
other
Ba14Sr10Mo8N32
64
4
1,287.62
mp-12011
-3.368003
-1.675166
-5.574235
other
K2Tb2Ge2S8
14
4
370.33
mp-754643
13.467387
8.685213
-1.456268
other
Li2V4Si4O16
26
4
287.94
mp-1227425
-3.343282
-1.414144
-5.58757
other
Bi2B2Pb2S8
14
4
347.86
mp-1219610
-3.411589
-1.527581
-5.496745
other
Rb2Eu2Ge2S8
14
4
398.27
mp-1335238
-3.052957
-2.265442
-5.939884
other
Y16Cu6Sn6S42
70
4
1,558.04
mp-704183
12.443458
9.416013
-4.513699
other
Li4Mo8P4O32
48
4
652.75
mp-729135
11.089933
7.929585
-7.331213
other
Li4Co4P16O48
72
4
878.69
mp-1347348
7.669155
8.407164
-3.299833
other
Ca2Bi2As2O12
18
4
271.64
mp-758724
12.109259
7.582495
-7.492929
other
Li2Fe2P8O24
36
4
472.28
mp-1220257
3.667052
2.620144
-3.536534
other
Sb4C12Br18N6
40
4
1,312.54
mp-13538
-4.698889
-3.227513
-3.61103
other
K2Pr2Si2Se8
14
4
425.76
mp-1199404
7.08432
4.756387
-5.251276
other
Na2Y2C8O20
32
4
539.18
mp-767149
13.761681
7.284816
-0.810299
other
Li4Fe2Si6O16
28
4
354.46
mp-1246978
-5.365819
-0.066283
-5.719526
other
Nb4Cr12Ag8S32
56
4
1,046.44
mp-505349
12.206264
6.605637
-6.718933
other
K4Cu4P4O16
28
4
405.28
mp-556884
3.165148
2.495082
1.548358
other
Ca12Si24N24O24
84
4
1,052.59
mp-752528
14.444212
8.314789
-4.256262
other
Li2P4W2O14
22
4
290.8
mp-753540
13.61387
7.228734
-0.823009
other
Li8Fe4Si12O32
56
4
708.27
mp-757869
12.969554
7.664281
-7.229878
other
Li4Co4P4O16
28
4
321.82
mp-696795
7.550961
5.137662
-4.819071
other
Cu4H6N2O12
24
4
291.75
mp-555962
10.759898
9.205699
-4.573863
other
Li4Mo4As4O24
36
4
476.44
mp-1219951
12.979767
8.643779
-5.688504
other
Rb8Mo8P8O44
68
4
1,064.55
mp-1201702
7.569059
7.03481
-3.483148
other
Nd2Mo2I8O30
42
4
665.83
mp-1229186
11.40379
3.952687
-7.766387
other
Ca8Mg16S24O96
144
4
1,837.91
mp-861866
-3.497534
-1.549549
-5.511401
other
K2Nd2Ge2S8
14
4
379.5
mp-704408
9.742251
4.755228
-6.963673
other
K32V8S24O108
172
4
2,777.95
mp-1203953
9.976888
2.018581
-3.691288
other
Zr4H36N12F28
80
4
680.48
mp-21097
-4.745296
-3.140855
-3.519106
other
K2La2Ge2Se8
14
4
437.37
mp-540064
11.13459
7.858333
-7.252635
other
Li2Co2P8O24
36
4
479.51
mp-758637
12.61547
7.323453
-1.610453
other
Li8Co4Si4O16
32
4
342.83
mp-1191547
9.732877
3.362414
-4.746902
other
Na2H10C2O8
22
4
220.45
mp-1211317
12.022687
9.886419
-2.384866
other
La2B2W2O12
18
4
236.44
mp-758408
14.26197
7.93998
-5.351083
other
Li2P8W2O24
36
4
462.81
mp-1195844
13.643592
4.280075
-2.062817
other
Ba6B12O22F4
44
4
536.26
mp-1222561
12.045192
7.551204
-0.799967
other
Li10Ga2Ge4O16
32
4
360.34
mp-780707
12.719775
12.531636
-0.417734
other
Li8V10Cr4O24
46
4
454.15
mp-780126
12.020646
7.267557
-2.07066
other
Li18Mn6Si12O42
78
4
840.89
mp-863443
6.55143
12.742184
-1.363419
other
Li8Fe12Sn4O32
56
4
620.69
mp-1196217
4.544146
2.786361
-3.593188
other
Hg4C16N4Cl12
36
4
1,193.09
mp-1201103
5.493696
3.757039
-4.058889
other
Ti2C14N24O24
64
4
1,289.13
mp-540312
12.43273
8.816155
-7.922393
other
Li4V2P4O16
26
4
291.87
mp-1178127
5.756859
12.262424
-1.764518
other
Li8Fe12Ni4O32
56
4
588.15
mp-1201878
7.642909
6.85628
-4.422682
other
Ba2U4P4O38
48
4
795.3
mp-1182907
12.468942
7.303336
0.6171
other
Ca12Al16Co4O40
72
4
1,014.6
mp-686464
13.491488
5.554029
-6.082579
other
Ca20P12S2O48
82
4
1,106.12
mp-1208684
10.143154
9.300127
-1.901879
other
Sr2Ca4Te6O18
30
4
553.06
mp-759918
13.841215
7.228181
-5.791467
other
Li6Sb6P8O32
52
4
751.01
mp-753973
13.903656
6.875463
-6.07157
other
Li2Sn2P4O14
22
4
308.43
mp-859123
12.262818
7.482212
-7.18554
other
Li4Ni6P8O28
46
4
605.77
mp-18578
11.411034
7.358953
-3.701227
other
Tl4Zn4As4O16
28
4
451.49
mp-1191333
11.075327
9.410011
-3.394027
other
Zn4Mo2Se2O14
22
4
320.45
mp-554526
13.186915
6.0298
-6.723125
other
K2Gd2P8O24
36
4
501.6
mp-23701
13.548473
4.339745
-2.601326
other
Ca2B16H8O30
56
4
597.29
mp-1105213
-4.15227
-2.557823
-3.260818
other
Er2Tl2P4Se12
20
4
537.05
mp-1259975
-4.497294
-3.733496
-3.818186
other
Y16Cu6Si6Se42
70
4
1,673.79
mp-758177
7.974002
13.695742
-0.96661
other
Li8Fe10Ni4O24
46
4
442.44
mp-758704
7.957
4.57186
-6.750929
other
Li2Mn4C8O24
38
4
566.85
mp-758973
12.946708
7.475131
-1.30889
other
Li6Fe4Si4O16
30
4
357.38
mp-759757
7.90339
13.498151
-0.890879
other
Li8Ti4Ni10O24
46
4
431.97
mp-766458
11.570869
7.360091
-2.13705
other
Li4Fe4Si4O16
28
4
356.06
mp-1215642
2.536992
2.313953
1.726279
other
Zn4Si2Ge2N8
16
4
178.31
mp-769543
12.497878
7.26303
-1.773739
other
Li6Mn4Si4O16
30
4
362.25
mp-26135
9.986768
8.2496
-6.658589
other
Li6Co6P8O32
52
4
596.33
mp-863001
8.992379
7.910526
-5.278928
other
Ba4V2P4O22
32
4
488.96
mp-11634
-4.730586
-3.186028
-3.537809
other
K2Sm2Ge2Se8
14
4
428.26
mp-742874
6.802618
6.230496
-4.121706
other
Ca2P2N2O22
28
4
536.15
mp-1227514
11.77499
7.422439
-0.143934
other
Ca4Ga4Ge2O14
24
4
335.46
mp-1208178
8.056616
8.877519
-3.779899
other
U4Cr4H12O24
44
4
853.19
mp-759274
12.632683
12.832986
-0.632601
other
Li8Mn4V10O24
46
4
469.45
mp-1225439
-6.346313
-0.04466
3.375077
other
Fe2Ni6Mo12N4
24
4
296.78
mp-1229218
-3.229644
-3.620269
0.293935
other
Ag12Hg2P40I4
58
4
1,299.01
mp-780435
13.042725
7.493521
-7.469873
other
Li20Co8P12O48
88
4
949.47
mp-1216322
7.884071
2.679053
-1.570571
other
W2N4O4F8
18
4
370.36
mp-779432
10.666377
8.175176
-6.984097
other
Li8Cr8P8O40
64
4
808.47
mp-766984
11.779691
7.000078
-1.620043
other
Li4Fe2Si12O30
48
4
621.6
mp-1193353
7.908871
7.356723
-3.664226
other
Te4W2N4O16
26
4
477.55
mp-560292
12.045503
6.749966
-6.953611
other
K2Eu2P8O24
36
4
517.12
mp-26007
9.802161
7.852355
-6.246583
other
Li2Ni2P4O14
22
4
275.22
mp-1228669
11.175879
5.70308
-2.867698
other
Ce4B24Br4O54
86
4
1,153.9
mp-32528
14.650204
8.585646
-6.558377
other
Li6V6P8O32
52
4
632.97
mp-1313661
9.758817
13.757412
-0.439954
other
Li6Mn6Te2O16
30
4
340.48
mp-1217879
5.767979
5.200205
-4.085459
other
Y2Tc4Cl16O18
40
4
1,022.8
mp-758305
8.455913
14.801198
-0.953676
other
Li4Mn10Fe4O24
42
4
450
mp-1225496
10.318331
9.236036
-1.351903
other
K6Sb14Se6O24
50
4
1,104.48
mp-705365
12.381843
8.806017
-7.861964
other
Li8V4P8O32
52
4
559.38
mp-1198672
1.804767
2.772451
-4.468523
other
Os4Se4S12Cl16
36
4
1,018.79
mp-769538
12.472281
7.288932
-1.872971
other
Li6Mn4Si4O16
30
4
348.47