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-1236334
10.115591
1.695791
-1.396662
other
Li1Al2H4Pb2O4F6
19
2
241.97
mp-1196668
8.450316
1.035999
-4.352536
other
Ce2P8H100C24Cl6O22
162
2
1,768.69
mp-818718
6.965842
4.211885
-2.031895
other
Ni1H44C12N8Cl2O10
77
2
706.9
mp-746343
8.748317
1.547457
-4.390651
other
Ni1H44C12N8Cl2O10
77
2
706.9
mp-1181719
8.198532
5.644862
-4.321732
other
Na2Zn8H12S2Cl2O32
58
2
772.77
mp-1325679
9.309913
4.220753
-4.059153
other
Pu2Co2H48C8N12O26
98
2
930.48
mp-24657
11.696202
4.352572
-5.23633
other
Zn2B2P4H8N2O16
34
2
365.51
mp-1200272
7.858545
0.167372
-4.455191
other
Li2Yb2Si12H108C36N6
166
2
1,897.93
mp-1238618
8.439298
1.892371
-4.39011
other
Si1H14C4S2N8F6
35
2
362.68
mp-1199099
9.606442
2.295222
-4.551541
other
Cu3P4H24C6N2O16
55
2
548.17
mp-734098
12.421716
6.678289
-0.860857
other
Ca4Al4Fe2Si8B2O32
52
2
581.83
mp-1205285
8.574976
2.140355
-4.252501
other
H24C4I4N12O8F8
60
2
802.18
mp-1204914
8.666804
1.588681
-4.587436
other
V12Sb2H70C24Cl16O38
162
2
2,184.46
mp-651173
4.496106
2.382012
-3.246393
other
K6W2C8N8O2F2
28
2
569.71
mp-23808
13.138039
5.183181
-6.010972
other
K2Sc2B2P4H2O18
30
2
373.44
mp-1667394
9.554513
3.521692
-8.612401
other
Na4Li8Mn4P4C4O28
52
2
602.12
mp-772293
9.64893
3.720958
-8.336013
other
Na2Li10Fe4P4C4O28
52
2
565.43
mp-1210852
8.40806
2.603399
-4.931124
other
Na2Ni1H20C12N12O18
65
2
681.25
mp-1202299
12.389173
7.23203
-1.659875
other
Na2Mg5Mn11Si12As2O50
82
2
981.37
mp-1197686
10.927838
3.564079
-4.43306
other
Ga2Ge4H10C2N2O12
32
2
358.34
mp-1105350
8.256338
1.941785
-4.16532
other
H6C2S2N2O2F4
18
2
305.3
mp-696290
7.241003
1.989406
-4.140757
other
Cu1H8C4N8Cl2O2
25
2
307.61
mp-1195048
13.53058
7.161829
-0.922907
other
Na2Ca2Mn6Si10H2O30
52
2
605
mp-772483
9.70085
3.577372
-8.549734
other
Na10Li2Mn4P4C4O28
52
2
630.65
mp-766416
9.61495
3.858196
-5.716916
other
K4U2H12C4S2O26
50
2
664.32
mp-760043
11.658502
7.987144
-7.23568
other
Li2V2Fe2P4H4O20
34
2
360.35
mp-706670
10.476731
3.829592
-4.332701
other
Al1Cu1H28S2Cl1O22
55
2
524.07
mp-738697
10.256896
2.681365
-4.523727
other
Al6P8H36C6N6O32
94
2
1,068.59
mp-697108
4.334294
2.335422
-3.346816
other
K6H2Rh2C10N10O2
32
2
561.79
mp-734296
4.580033
3.416533
-3.433996
other
K5Au5C10I2N10O2
34
2
807.66
mp-1200614
8.668403
2.08793
-4.619677
other
P2H18C4S2N8O8
42
2
455.06
mp-699459
10.021829
3.527216
-5.168476
other
Cs2Li2H8S4N4O12
32
2
421.81
mp-766016
13.287987
8.654078
-7.687191
other
Li2V2Cr2P4O16F4
30
2
353.65
mp-776451
13.255822
7.814564
-7.253613
other
Li6Mn3V3P6H6O30
54
2
547.87
mp-1233357
10.220924
1.721277
-1.288592
other
Ca1Al2H4Pb2O4F6
19
2
259.99
mp-1204596
10.039027
2.771201
-4.619168
other
Ba2P6H20C6N2O18
54
2
573.73
mp-1204531
9.890162
3.059905
-4.469852
other
H46Ru2S4N10Cl2O24
88
2
861.75
mp-759948
14.235956
7.822361
-6.56373
other
Li4V2Cr2P4H4O20
36
2
362.84
mp-727393
13.11851
6.696021
-0.689626
other
Ca4Mn2Al4Si8B2O30
50
2
582.25
mp-1228198
11.962432
5.761007
-4.599025
other
Ca4Mg1Zn1As4H8O20
38
2
415.37
mp-1203047
8.729905
2.679468
-4.810481
other
U2H12C4Se2N6O14
40
2
509.16
mp-1200245
8.570606
3.585978
-3.872581
other
Hg2H8C4S4O16F12
46
2
646.22
mp-1173088
12.585017
6.544498
-0.702327
other
Ca10Ta1Ti8Al1Si10O50
80
2
953
mp-1195156
8.472453
1.835287
-4.631408
other
Rb4Nb6H22C10Cl12O16
70
2
1,110.52
mp-756057
13.627678
8.559517
-7.564075
other
Li4V2Fe2P4O16F4
32
2
364.99
mp-759828
11.599676
7.983654
-7.466963
other
Li2Mn2V2P4H4O20
34
2
358.82
mp-721172
12.066219
5.441609
-2.734427
other
Ca4Mn2Fe2Si8H10O30
56
2
681.02
mp-720217
13.294633
7.031404
-0.905792
other
K3Ca2Mg10Si16H4O48
83
2
913.17
mp-1202358
12.306809
5.914023
-6.323735
other
Sr2Fe2B2P4H4O20
34
2
367.28
mp-1204310
8.253777
0.989212
-4.425545
other
Ti2H60C20S10Cl4O12
108
2
1,280.23
mp-1182914
8.49022
1.183769
-4.289905
other
Al2H28C8N2O2F8
50
2
595.3
mp-1193229
7.848429
1.359341
-4.446954
other
Mn1H12C8S2N2O2
27
2
380.51
mp-1217511
8.554722
4.851731
-4.782294
other
V4Co1H12C2N6O20
45
2
581.68
mp-707443
8.866626
3.507378
-6.885463
other
Na7Al1H2C4O12F4
30
2
341.54
mp-759502
12.749824
7.790888
-7.12924
other
Li2V2Cr2P4H4O20
34
2
355.33
mp-2240896
13.856927
8.687007
-7.258331
other
Mg1V1Fe1P2O8F2
15
2
182.49
mp-766429
9.098511
2.064703
-4.252888
other
Si1H18C2N8O2F6
37
2
342.06
mp-708015
8.427085
2.620214
-4.957507
other
Na2Cu1H20C12N12O18
65
2
638.94
mp-1181015
6.024638
3.690627
-3.939271
other
Mo6C14Br6N2Cl6O14
48
2
1,291.08
mp-759005
14.23079
7.822732
-6.57018
other
Li6V3Cr3P6H6O30
54
2
544.54
mp-555250
8.393138
1.933198
-4.440291
other
Ag2H18C14S4O8F8
54
2
647.2
mp-567268
8.684595
2.564172
-4.405059
other
Gd2H16C20N2O16F24
80
2
982.13
mp-1196382
8.574137
1.592263
-4.389843
other
Ni1H44C12N8Cl2O10
77
2
873.65
mp-1201200
9.517169
2.787158
-4.674347
other
Mn1H20C2S2N6O12
43
2
396.63
mp-1177762
13.613841
8.550718
-7.580164
other
Li4V2Fe2P4O16F4
32
2
365.95
mp-1218617
7.792759
9.87923
1.433469
other
Sr4Ca1Ho1Cu6Pb4O16
32
2
470.27
mp-43114
12.628059
6.541579
-0.498892
other
Ca6Ti2Al4Si6O26F4
48
2
547.18
mp-1204966
8.799786
1.428503
-4.174543
other
Cd3Co2H44Br12N12O4
77
2
913.95
mp-1217856
8.046213
2.027978
-4.550457
other
Tb2Ag2H36C40N12O24
116
2
1,213.45
mp-1228057
12.841551
6.23047
-0.837624
other
Ba1Na4Ti2Si10B2O30
49
2
592.08
mp-1104248
8.181146
1.609929
-4.484587
other
Cd1H6C2I2N2O2
15
2
256.26
mp-698522
10.007384
3.404685
-5.152535
other
Sb6P4H12C4N2O18
46
2
655.76
mp-1198893
8.445586
2.022839
-4.650281
other
Cu4H64C24S16N24O24
156
2
1,829.71
mp-759082
14.363017
8.513403
-7.192041
other
Li6V3Cr3P6O24F6
48
2
541.97
mp-1197601
9.269683
6.948349
-3.596455
other
Rb4Mg1Fe8H6Se16O50
85
2
1,297.21
mp-705559
13.062329
6.706655
-0.951011
other
Na6Ca6Zr4Si8O30F6
60
2
874.25
mp-733782
4.65111
2.821569
-3.718356
other
K4C12Se4S12N12O2
46
2
1,005.02
mp-1204491
12.313394
6.804538
-0.917067
other
Ca4Mn2Al4Si8B2O32
52
2
585.37
mp-1193243
12.533402
6.044086
-6.131563
other
Co2B2P4H2Pb2O18
30
2
353.72
mp-1221003
8.02539
2.01966
-4.534362
other
Nd2Ag2H36C40N12O24
116
2
1,237.6
mp-1211023
12.90213
10.260285
-0.579382
other
Na2Pd1W6S2N2O6
19
2
367.31
mp-1233286
14.01334
6.941313
-5.130519
other
Sr2Mg1Zn2Sn2P4O16
27
2
383.13
mp-2230167
12.370496
11.950866
-1.411741
other
K2Mg1Mn3V2H2O10
20
2
256.8
mp-1182270
-0.534266
2.596953
-3.317076
other
Cs4Hg2C4S2I8O2
22
2
946.48
mp-720394
12.582931
6.489086
-0.672301
other
Ca10Ta2Ti6Al2Si10O50
80
2
921.24
mp-560363
8.781346
1.264273
-4.423103
other
V2H28C8N2O4F6
50
2
463.72
mp-534838
12.649018
6.460909
-0.593861
other
Ca10Ta3Ti4Al3Si10O50
80
2
949.16
mp-776556
13.230228
7.803957
-7.275986
other
Li4Mn2V2P4H4O20
36
2
364.63
mp-1408232
7.449218
4.868019
-1.777618
other
Sr2Fe2B2P4H4O20
34
2
367.28
mp-1195917
11.953973
3.732076
-3.369042
other
Na2B14H28C4N4O28
80
2
721.22
mp-534953
12.621411
6.530662
-0.663589
other
Ca8Ti6Al2Si8O38F2
64
2
749.39
mp-684696
13.041855
6.279861
-0.892216
other
Ba1Na4Ti2Si10B2O30
49
2
638.81
mp-1213344
10.013751
4.29775
-5.196139
other
Na3U2H28S10N9O44
96
2
1,153.1
mp-728713
7.374297
2.235386
-4.390622
other
Na8Ni4H24C16N16O12
80
2
973.49
mp-1227867
12.614649
6.012573
-2.05146
other
Ca4Mn2Fe2Si8H10O30
56
2
621.88
mp-1196314
8.155655
1.108114
-4.475715
other
Cu2H48C18S6I2N12
88
2
1,061.57
mp-1198867
8.117727
1.628841
-4.464128
other
H40Rh2C6N18Cl12O2
80
2
1,007.75
mp-558541
8.086176
0.899658
-4.411618
other
H18C6Se2S2N4Cl2
34
2
399.92
mp-1234096
10.098401
1.738754
-1.298784
other
Ca1Al2H4Pb2O4F6
19
2
271.45
mp-1203146
7.960854
0.399798
-4.42639
other
Ti2Si6H60C20N8Cl4
100
2
1,257.6