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-740717
10.376104
3.221127
-4.995427
other
Li8H32S8N8O32
88
14
816.01
mp-1196656
7.802668
4.994305
-4.95679
other
Pt4C8S8O32F8
60
14
1,087.66
mp-542843
11.830251
4.649437
-5.065572
other
Mg4B8P8H32O52
104
14
966.04
mp-1198633
8.673722
2.69691
-4.749423
other
Zn2H40C8N20O24
94
14
845.79
mp-1214170
8.048146
1.88751
-4.522331
other
Cd6H32C16N40F4
98
14
983.33
mp-1195532
13.239344
5.04848
-2.579596
other
Na4Tm4B4Te2O20
34
14
410.89
mp-554016
8.949045
1.289927
1.152756
other
K16Ti8P4O16F36
80
14
1,306.27
mp-1194949
11.760681
7.524548
-7.458595
other
K4Fe4Ni4P8O32
52
14
682.55
mp-863004
8.659019
6.494933
-5.358254
other
K8U4S4O28F8
52
14
895.28
mp-1212653
8.20622
3.882091
-6.365083
other
K12Fe4H12C24O48
100
14
1,628.46
mp-743676
10.152827
3.959823
-4.572048
other
V2H20S4N4O16
46
14
458.42
mp-1201067
11.69212
4.240347
-5.119525
other
In4P8H24N4O32
72
14
725.12
mp-850221
9.612166
2.196854
-4.312028
other
H56Ru2S4N12O20
94
14
800.85
mp-760041
9.336286
3.721036
-8.472219
other
Li12Co4P4C4O28
52
14
532.17
mp-779814
10.546611
4.083785
-5.021136
other
Cs4Zn2H24S4O28
62
14
713.02
mp-1215093
9.955987
5.057095
-4.46308
other
Cs8Te4H24Se4O40
80
14
1,100.58
mp-709400
4.814306
2.873414
-3.683057
other
Hg4H16C16Br16N8
60
14
1,633.34
mp-1203216
10.392934
4.122513
-4.87524
other
Na4Co2H24S4O28
62
14
620.37
mp-1201768
7.636079
0.386249
-4.116974
other
Cr2B12H64C16O4
98
14
1,015.49
mp-1196673
9.309362
3.499777
-5.425069
other
K4Co2H24C8O28
66
14
733.17
mp-554656
14.320691
8.12572
-6.971171
other
Li20V4P8O32F8
72
14
742.9
mp-570929
8.181857
0.558702
-4.452931
other
Sn2H92C36Br8N4
142
14
1,549.44
mp-1198907
8.359576
7.538652
-4.680925
other
Ca4U4Cu4P8O56
76
14
1,174.49
mp-1212674
7.211046
2.402866
-3.333918
other
H8C32S4N12F20
76
14
1,081.73
mp-605052
6.056726
3.377183
-4.53975
other
P4H12W4C20O20
60
14
970.96
mp-1201841
8.517365
3.188849
-5.080085
other
Na4H36Rh8C20O48
116
14
1,344.27
mp-743656
10.927704
4.480209
-3.839136
other
Na4Mg2B24H32O56
118
14
1,129.44
mp-18089
8.057017
9.750536
1.560334
other
Sr4Ho2Cu6Pb4O16
32
14
471.09
mp-735510
9.316305
3.22314
-5.148044
other
Cr4H40C8N8O32
92
14
1,055.53
mp-728942
5.631589
3.291701
-4.649301
other
Co8H8Ru8C48O48
120
14
1,815.43
mp-774757
10.923489
4.013217
-4.237614
other
Na12P4H48C4O44
112
14
1,122.02
mp-24377
10.567078
3.399152
-4.534693
other
V2H40S4N4O28
78
14
716.02
mp-1199973
11.743196
5.328761
-5.378061
other
Co8Ge2P8H24O44
86
14
817.9
mp-1209776
8.245391
2.910365
-1.552995
other
Rb4Be4Cd2O12F16
38
14
613.62
mp-24742
10.500469
4.157917
-5.33845
other
K8Mg4H32S8O48
100
14
1,137.24
mp-1196287
8.208991
2.255577
-4.626941
other
H48C24S4N40O24
140
14
1,477.5
mp-24363
9.910059
2.220085
-4.271134
other
P4H40N8O16F4
72
14
671.33
mp-1198325
12.402645
7.328657
-7.147896
other
K4Mn4P4O12F12
36
14
510.42
mp-1202646
7.910743
0.478062
-4.497648
other
Cu4H24C8Se4I4
44
14
631.58
mp-1661734
14.357127
7.433627
-5.794739
other
Li8Co4Sn4P8O32
56
14
686.54
mp-1200199
7.949594
3.071908
-1.659567
other
K4Be4Ni2O12F16
38
14
563.7
mp-1180704
6.87407
6.014235
-4.183264
other
Ni2P4N4O24F4
38
14
762.19
mp-697910
9.538554
2.161935
-4.162849
other
K8Si4H16N8O8
44
14
497.5
mp-1198038
9.727066
2.335588
-4.504776
other
Li4P4H16C4O12
40
14
421.7
mp-561081
8.467353
3.092701
-4.867623
other
Cu2H20C4N16O16
58
14
556.84
mp-1197352
7.823004
0.188164
-4.480364
other
In4Si16H164C60O4
248
14
2,824.89
mp-703567
10.195462
2.435367
-3.541425
other
Ti2H24N4O8F12
50
14
446.16
mp-1204342
12.904534
4.425679
-2.669497
other
Ca8B12H16Cl4O32
72
14
718.62
mp-1212585
9.822024
12.029695
-4.234197
other
K4Ba4V20H16O56
100
14
1,502.06
mp-558003
8.440562
2.940726
-4.781933
other
U4H48C16N16O44
128
14
1,554.28
mp-727552
7.810626
6.763986
-3.656516
other
Ca8Cr4H8I8O44
72
14
1,020.98
mp-759759
12.57155
5.197842
-5.706275
other
Na4Ga12P8H16O48
88
14
884.03
mp-1196260
8.275431
1.01602
-4.306491
other
Sn8Mo4H48C16O20
96
14
1,289.39
mp-1202137
11.818143
5.716377
-4.573049
other
Ca4Cu2As4H8O20
38
14
424.37
mp-559420
8.303576
2.347912
-1.113435
other
Sb16Pt4C16O16F88
140
14
2,323.96
mp-1203595
10.105662
2.413748
-3.844127
other
Zn2H16N4O4F8
34
14
289.41
mp-1198718
8.16898
0.632471
-4.391198
other
Li8Si8H152C48N32
248
14
2,664.5
mp-1198873
8.381251
7.375653
-4.835774
other
U8P8H8C4O56
84
14
1,358.06
mp-728689
9.906093
4.516458
-4.610634
other
Cs4Ni2H24S4O28
62
14
865.41
mp-555160
9.098073
6.608375
-3.012425
other
Cs4Y4Se4Cl8O12
32
14
841.93
mp-23858
8.866339
1.923084
-4.194586
other
H16Pt2N4Cl4O4
30
14
342
mp-1204632
7.505752
1.784574
-4.217223
other
Cd2H16C8Br4N16
46
14
645.78
mp-1209878
7.735343
3.352375
-1.729196
other
Rb4Be4Ni2O12F16
38
14
575.08
mp-768693
8.405709
5.679586
-7.408621
other
Li4Mn4P4C4O28
44
14
525.66
mp-1198272
8.077998
0.571011
-4.423548
other
Ta4H96C32N16Cl4
152
14
1,709.98
mp-1203965
9.882633
4.703787
-6.254319
other
K4Eu4H8S8O36
60
14
859.78
mp-758238
13.054644
5.27781
-6.141052
other
Na8Zn4P4H4O20
40
14
489.54
mp-628216
4.148482
2.245987
-3.153766
other
Cs4K2Mn2C12N12
32
14
711.46
mp-1204072
7.909828
2.42044
-1.650018
other
Rb4Hf4C4O16F16
44
14
812.46
mp-1208940
8.677001
5.948417
-4.737124
other
Te4H24S4N8O40
80
14
1,067.25
mp-707744
8.603388
4.371419
-4.383371
other
K4Te2H20N4O28
58
14
667.53
mp-1203714
10.43196
4.307358
-6.278201
other
K4Nd4H8S8O36
60
14
823.67
mp-720401
6.344858
0.514892
-3.463279
other
B40H52C4S4N4
104
14
1,157.97
mp-649091
2.651357
2.914281
-4.467423
other
Mo8P8N8Cl48O8
80
14
2,225.72
mp-1208457
8.723543
5.896343
-4.723813
other
Te4H24S4N8O40
80
14
1,079.94
mp-735566
11.438722
5.774202
-5.872523
other
K4Fe8P8H20O44
84
14
931.76
mp-1200273
8.797684
1.644206
-4.580407
other
H84C28S12N12O32
168
14
1,616.09
mp-567593
7.775791
1.810911
-4.763326
other
K4B4H16C8N32
64
14
869.64
mp-1200783
5.344579
3.319214
-4.000922
other
K4B24S16Cl24O32
100
14
2,114.75
mp-1200093
10.562599
5.043555
-5.487934
other
Cs8P4H12Se4O32
60
14
1,039.04
mp-1198329
10.243112
4.551882
-4.560688
other
K4Mg2H24Se4O28
62
14
718.6
mp-1201659
8.665937
2.674258
-4.769849
other
Mg2H40C8N20O24
94
14
953.95
mp-698419
7.049936
1.267726
-4.189264
other
Zn4H24C8N8Cl16
60
14
1,344.04
mp-705514
4.330336
2.886329
-4.015746
other
Sb4H4C12N12Cl36
68
14
1,608.72
mp-672303
4.662969
2.684992
-3.666462
other
Cs4Ni4C12S12N12
44
14
921.59
mp-1201031
8.124055
2.365366
-1.534052
other
Zn4As8S16O32F48
108
14
1,878.55
mp-583589
8.294659
0.830475
-4.514036
other
Sn2H28C8Br8N4
50
14
722.53
mp-1201826
8.793774
1.560815
-4.405328
other
Ag4H36C8N8O8
64
14
625.83
mp-1204113
8.21771
0.81049
-4.541745
other
H96C32Se24Br48N8
208
14
3,976.16
mp-559120
10.010998
2.583277
-4.356637
other
Ni2P4H48C8O28
90
14
838.89
mp-1204809
9.859439
3.264828
-4.468419
other
Rb8P4H24S12O12
60
14
1,018.07
mp-557512
8.782567
3.127715
-5.699054
other
La4H16C16N4O32
72
14
834.3
mp-1225925
10.109254
9.588679
-2.08783
other
Fe8Te16Br4Cl4O40
72
14
1,243.83
mp-1201717
8.223009
1.927573
-1.763778
other
K4B24H8O4F24
64
14
807.89
mp-557019
9.427137
6.914793
-2.794529
other
Rb4Er4Se4Cl8O12
32
14
786.17
mp-757963
9.360131
3.425551
-5.765336
other
K4Mg2H16C4O20
46
14
489.92
mp-560986
7.620598
2.445152
-1.68481
other
As8Se16S8N16F48
96
14
1,760.38
mp-1214912
8.237163
2.684842
-1.31729
other
Be4Tl4Cu2O12F16
38
14
587.17
mp-1212477
8.426691
2.840049
-0.880743
other
Hg12B4I8O8F16
48
14
1,079.44
mp-24214
11.98742
4.774823
-4.941043
other
K4P4H12O16F4
40
14
439.57