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-698329
8.672928
2.488683
-4.770518
other
Zn2H32C12N12O20
78
15
749.12
mp-1202096
9.412189
2.718274
-4.256808
other
Co2Re6H44N12O28
92
15
1,019.28
mp-1191186
9.954532
2.087465
-1.773681
other
Cs2Al2H8O4F8
24
15
297.28
mp-541374
9.838426
1.341603
-1.574267
other
Rb4Mn4H8O4F16
36
15
492.46
mp-728493
9.995761
2.349777
-2.161297
other
Rb4V4H16O8F16
48
15
554.34
mp-727702
10.452431
4.199347
-5.322477
other
K8Mn4H32S8O48
100
15
1,161.56
mp-1199623
8.375939
0.915929
-4.478652
other
P8H48Rh4C16O16
92
15
1,050.57
mp-770676
10.004085
2.995474
-3.868679
other
Li4Cr2H16Cl10O8
40
15
624.68
mp-1203461
12.554504
6.395154
-0.652674
other
Rb8Eu4Ga4Si16O48
80
15
1,297.4
mp-1198047
12.401001
7.412952
-6.713323
other
K2Cu6P6O16F12
42
15
566.54
mp-1212950
11.153813
4.317854
-5.091248
other
Ga4P6H16N6O24
56
15
611.27
mp-1203753
10.608369
5.346964
-4.097769
other
K8Mo4H12S4O18
46
15
800.87
mp-1202369
8.053595
3.611784
-4.862147
other
Pr2H32C4N22O34
94
15
1,070.92
mp-1260941
12.776543
6.482969
-1.029634
other
K2Mn4Zn6Si24O60
96
15
1,334.99
mp-1194804
11.504701
11.067904
-3.842844
other
K4Th6Mg2Mo16O64
92
15
1,647.54
mp-1202896
10.493672
8.71034
-3.873653
other
Fe4Mo4H4Se4O28
44
15
575.76
mp-1195450
13.364458
4.388731
-2.628071
other
Li8Ca4B32H28O70
142
15
1,382.9
mp-1202840
10.081514
3.21648
-3.712913
other
Sr2Sn4H20Br12O10
48
15
866.29
mp-1199313
12.053893
7.287674
-6.815316
other
Rb2Cu6P6O16F12
42
15
627.71
mp-561255
11.177925
7.599084
-2.23339
other
Zn2Bi12P4O28F4
50
15
775.32
mp-1213475
12.140836
4.829781
-5.261838
other
Ga8P8H16N4O32
68
15
792.97
mp-771083
8.593876
3.840618
-7.768426
other
Li12Fe4P2C8O32
58
15
597.87
mp-1045646
8.590312
1.609495
0.948085
other
Ba4Ca2Cu2Sb4F28
40
15
650.36
mp-698366
8.582533
2.414103
-4.740871
other
Zn8H80C32N32O48
200
15
1,928.25
mp-1204489
1.053635
2.210522
-4.767121
other
Al4Sb8Te8Br4Cl16
40
15
1,238.87
mp-744317
10.307495
4.598805
-6.277861
other
K8Mo4H8S8O36
64
15
916.92
mp-709019
8.516637
3.293401
-5.695201
other
Ca4Cu2H12C12O24
54
15
650.03
mp-641965
4.676126
2.748939
-3.650654
other
Rb4Au4C8S8N8
32
15
723.6
mp-866716
8.605199
1.193917
-4.048466
other
Rb4Li4H48Se12N16
84
15
1,137.83
mp-696651
8.595751
1.508509
0.783053
other
K6Nb2H2O2F14
26
15
446
mp-758157
6.802543
4.748086
-4.550025
other
Na8H4Ru2N12O26
52
15
639.53
mp-694946
10.946949
6.555825
-1.028208
other
Cs2Co2W2O6F6
18
15
297.42
mp-1199289
4.076549
2.260302
-3.131644
other
K8Ru2C12N12O4
38
15
790.52
mp-1202901
8.828154
3.555005
-6.85179
other
Na8Y4H4C8O28
52
15
626.32
mp-1197713
8.076001
6.640815
-3.29797
other
K4H4Se2I4O20
34
15
549.58
mp-1197650
8.103038
0.830525
-4.449627
other
Ba4Te12H60C12N12
100
15
1,426.15
mp-8678
13.338662
5.511388
-6.682915
other
Na2Al2P2O8F2
16
15
170.5
mp-1210551
9.273195
2.316758
-4.729211
other
Pu2H32C6N8O22
70
15
680.78
mp-1223524
-2.868875
-2.168594
-5.789929
other
La4Ce2Si4S16I2
28
15
703.39
mp-1045827
9.468979
0.692635
0.526096
other
Ba4Zn2Fe4Cu2F28
40
15
545.75
mp-698361
8.629051
1.784893
-4.423319
other
Cu2H72C16N20O16
126
15
1,091.9
mp-699636
11.514535
11.143886
-3.714871
other
K2Tb4Cu2Mo8O32
48
15
668.11
mp-1218649
8.331064
10.609401
1.905
other
Sr4Y8Fe4Cu4O26
46
15
605.17
mp-24706
12.607584
7.428901
-6.362018
other
Co6Ag2P6H4O24
42
15
445.56
mp-831190
11.877963
4.896453
-4.816553
other
Li4V4P4H24O30
66
15
584.45
mp-24609
11.922634
7.307849
-7.37936
other
Rb2Mn2P6H2O20
32
15
459.76
mp-1202705
8.011451
0.615021
-4.304842
other
Cs4Ga4H24C8F8
48
15
798.77
mp-24229
9.609276
3.53327
-5.396486
other
Na4Ca2H20C4O22
52
15
504.28
mp-722714
7.409994
4.723606
-4.839545
other
Mg2Cd2H8N8O20
40
15
501.64
mp-736272
8.089433
0.950923
-4.447579
other
Hg2H32C12N8Cl4
58
15
681.2
mp-735578
11.092871
6.128365
-4.613607
other
Sr4Mo4As4H12O32
56
15
693.1
mp-720727
9.346383
2.823072
-3.093695
other
Ga2H30N8O4F12
56
15
646.23
mp-1196851
7.566301
6.723069
-4.670729
other
K8Tm2P16N16O68
110
15
1,994.18
mp-695800
12.047129
6.664977
-4.512294
other
K2Sc2As4H4O16
28
15
400.31
mp-1045638
8.413895
1.289742
1.118437
other
Ba4Ca2Cu2Bi4F28
40
15
655.74
mp-1173246
8.340005
10.611168
1.931514
other
Sr4Y8Fe4Cu4O26
46
15
607.27
mp-1201323
8.93562
3.421461
-5.804851
other
K4Nd4H24C16O44
92
15
1,137.67
mp-24586
13.863888
7.276886
-6.643145
other
Na2Mn6P6H4O24
42
15
472.93
mp-851402
11.398415
4.260897
-4.490336
other
Na4P4H24O22F4
58
15
628.89
mp-1205131
7.715953
9.372255
0.870717
other
K4Na4Eu8Nb4O26
46
15
718.08
mp-698318
7.876682
0.470302
-4.446411
other
Cu4Si8H72C36O8
128
15
1,426.59
mp-1205027
10.229703
2.336601
-2.729779
other
Zr2Mn4H24O12F16
58
15
542.33
mp-780853
14.334719
7.641875
-5.474426
other
Li2Fe6P6H4O24
42
15
448.96
mp-720379
12.50428
5.303685
-5.67621
other
K6Na2P8H8O28
52
15
714.99
mp-1200931
0.943679
2.117851
-4.991725
other
Al4Bi8Te8Br4Cl16
40
15
1,279.8
mp-698401
8.67278
1.9629
-4.63949
other
Cu2H22C10N2O12
48
15
453.58
mp-1179346
5.574666
3.162282
-3.570974
other
Te2C8S8N16F8
42
15
916.26
mp-1214581
11.77753
11.082836
-3.168835
other
Ba2Nd4Cu2Mo8O32
48
15
684.67
mp-710509
8.158413
0.86204
-4.492376
other
V4H84C28N16Cl28
160
15
1,667.87
mp-1202430
10.793074
3.980588
-4.271078
other
Al4H30S2Cl2O26
64
15
604.74
mp-652793
5.8752
3.392244
-4.716204
other
Fe8Co16Ge8C84O84
200
15
3,353.62
mp-1211586
11.28381
11.078541
-3.830172
other
K2Li2Y4Mo8O32
48
15
663.43
mp-555230
12.806067
6.260795
-0.425975
other
Rb8Y4Ga4Si16O48
80
15
1,219.45
mp-541777
11.323737
12.195744
-3.202766
other
Sr2Mn2V4Ag4O16
28
15
396.98
mp-1201283
3.336609
3.114777
-4.166739
other
Re4C4N4Cl12O8
32
15
1,106.08
mp-1211688
11.326696
11.113628
-3.817647
other
K2Li2Ho4Mo8O32
48
15
658.17
mp-1199180
9.272484
1.537241
-3.99576
other
Si2H24C4N4F12
46
15
465.53
mp-1211661
11.172393
11.172831
-3.87474
other
K2Li2Lu4Mo8O32
48
15
640.22
mp-1173602
12.852469
6.463225
-0.800979
other
Na4Mg12Si16H4O48
84
15
940.71
mp-703589
8.892641
1.992432
-0.748325
other
K8Ti4H4O10F16
42
15
634.06
mp-41634
9.069524
1.591149
-0.200112
other
K8Sn4H8O4F24
48
15
767.08
mp-1196572
8.350815
2.968915
-5.003528
other
K4Y4H56C48O72
184
15
1,921.76
mp-542292
12.341693
7.737576
-4.750521
other
Mn6Ag2As6H4O24
42
15
495.86
mp-1213951
7.402719
2.18925
-4.293231
other
Cd2H8C8S8N12
38
15
588.72
mp-1211112
2.165713
2.635657
-4.487571
other
Mo12H4N4Cl28O2
50
15
1,443.36
mp-728891
9.721621
2.491949
-4.014511
other
Mo4H24N4O12F8
52
15
497.73
mp-768253
8.992614
3.796844
-7.301833
other
Na10Bi4As2C8O32
56
15
815.93
mp-1209473
14.659193
7.898857
-5.007228
other
Rb2Na6Fe14P12O48
82
15
1,051.88
mp-735701
11.513645
5.21156
-5.255173
other
K2Fe6P16H44O72
140
15
1,493.99
mp-1195736
8.34936
1.73487
-4.58147
other
Cu4H44C24N4O20
96
15
1,077.49
mp-1196843
7.960848
1.278081
-4.59651
other
Cr4Sb8H48C32O20
112
15
1,577.09
mp-1182547
10.001597
3.633521
-4.092637
other
Cr2H40N4O12F10
68
15
691.24
mp-1197444
7.949219
0.376636
-4.421788
other
Li8Si12H120C40N16
196
15
2,248.41
mp-771195
8.219223
4.896975
-6.807235
other
Na10Ni4As2C8O32
56
15
699.75
mp-780418
11.694036
7.626987
-7.416762
other
Li2Mn2P6H2O20
32
15
437.69
mp-1200731
9.613952
3.275581
-5.019309
other
Ho2H16C4O16F2
40
15
439
mp-1227703
8.644061
7.977326
-2.908992
other
Ca12Mn6Al2Si8O48
76
15
914.05
mp-1045718
8.801664
0.922096
-0.195603
other
Ba4Zn2Cu2Ag4F28
40
15
601.73
mp-1045901
9.203825
1.992368
1.373199
other
Ba4Mg2Cu2Mo4F28
40
15
581.77
mp-1200350
10.554871
3.0117
-4.434393
other
Na2P6H48N8O28
92
15
853.62