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-1104758
4.586628
2.679429
-3.514592
other
Zn1Hg1C4Se4N4
14
82
325.74
mp-541914
4.641973
2.589003
-3.605452
other
Mn1Hg1C4S4N4
14
82
300.24
mp-1192436
10.280356
7.234019
-1.832204
other
Na5Eu4Si4O16F1
30
82
378.92
mp-760729
12.629881
5.809497
-1.553833
other
Ca4Ga4Si2H4O16
30
82
368.92
mp-622618
7.776521
10.82684
1.323625
other
Ba1La1Ni1Ru1O6
10
82
128.74
mp-1190520
5.800716
3.148659
-3.62127
other
Cd1Ge4C8S10N2
25
82
580.16
mp-542943
4.592304
2.765808
-3.544876
other
Cd1Hg1C4Se4N4
14
82
341.11
mp-1192403
12.252286
6.457043
0.177643
other
Na5Ho4Si4O16F1
30
82
354.94
mp-1199516
10.196393
4.360081
-6.086469
other
Na36H16S16Br4O80
152
85
1,967.02
mp-560246
11.408315
4.498029
-4.665226
other
Li2U2P2H16O20
42
85
427.3
mp-510226
11.190082
4.754336
-4.62793
other
U4Cu2As4H32O40
82
85
908.14
mp-1191142
11.382993
3.969918
-3.698197
other
Cu2B2H8Cl2O8
22
85
221.19
mp-863300
9.25188
10.150902
-3.381584
other
Na4V2Si2W24O108
140
85
2,336.37
mp-560773
9.621002
4.82856
-6.281748
other
K8Na4S8Cl4O24
48
85
861.03
mp-1193717
8.212953
2.710088
-1.228047
other
Ti2Cu2N2O8F14
28
85
368.61
mp-1180608
11.328197
4.737648
-4.587695
other
Li2U2As2H16O20
42
85
481.82
mp-1197655
8.525155
6.830407
-5.188223
other
K10U8V2S8O66
94
85
1,634.1
mp-699483
11.241801
4.528111
-4.71389
other
U4Cu2P4H32O40
82
85
873.18
mp-1195054
8.941592
3.372424
-5.402501
other
Na8Cu8H36C16O46
114
86
1,310.72
mp-699464
12.723405
6.081441
-1.018924
other
Ca12Be8Si12H8O48
88
86
976.03
mp-1202772
6.878392
3.941768
-5.133718
other
K4Ru8C16Cl8O32
68
86
1,417.91
mp-1197093
13.858148
6.51961
-5.843517
other
K8Ga16P16O64F2
106
86
1,607.36
mp-1198675
6.864624
3.409822
-5.002746
other
Cs4Ru8C32Cl8O32
84
86
1,664.77
mp-1182769
7.403879
1.856082
-4.149599
other
H48Pd4C8N24Cl16
100
86
1,891.57
mp-680235
8.199832
2.224098
-0.956047
other
Cs4Sb4Te24O24F120
176
86
3,196.72
mp-1198297
8.023809
1.580938
-4.399488
other
H48Pd4C8N24Cl16
100
86
1,328.19
mp-557398
11.513346
8.069122
-2.707067
other
Ca8Fe8Sb8As16O56
96
88
1,476.9
mp-1204556
7.545475
0.428984
-4.13026
other
Na4Mg2B8H40N8
62
88
588.9
mp-1177608
13.277634
8.378566
-7.819893
other
Li12Mn4V4P12O48
80
88
824.95
mp-1045731
11.413043
8.087822
-2.994858
other
Ca8Sb8As16Se8O56
96
88
1,605.74
mp-707021
9.529445
4.733762
-6.574691
other
Na24H8Pd4S16O56
108
88
1,523.82
mp-1197326
8.990026
3.404923
-5.689609
other
K2Lu2H16C8O24
52
88
588.54
mp-1045705
11.243893
8.033296
-3.2257
other
Zn8Sb8As16Se8O56
96
88
1,704.64
mp-1198865
8.368334
2.010174
-4.67327
other
Yb2H24C16N2O16
60
88
702.96
mp-1045681
11.380776
8.004078
-3.169668
other
Mg8Sb8As16Se8O56
96
88
1,645.49
mp-1198950
9.043837
3.514575
-5.66656
other
K2In2H16C8O24
52
88
572.82
mp-17019
11.111057
11.323087
-2.639431
other
Ca4Y2As2W4O24
36
88
469.1
mp-1200380
7.892201
3.126935
-5.301228
other
Mn8H8C32N24O40
112
88
1,292.01
mp-643941
12.483537
5.403802
-2.200357
other
Ca2Al4Si2H8O16
32
88
293.94
mp-1228149
10.442732
8.178514
2.108339
other
Ba3Sr9Al4O16F4
36
89
545.72
mp-1227818
10.521199
8.160334
2.098867
other
Ba1Sr11Al4O16F4
36
89
534.3
mp-555698
7.895061
2.285489
-1.966088
other
Fe1B2C6O6F8
23
87
325.39
mp-1218927
9.389435
11.42114
0.510298
other
Sr10Cu5Mo1W4O30
50
87
646.04
mp-698210
7.865254
1.228685
-4.364547
other
Rb1Co1H24C14N8
48
87
493.67
mp-680165
6.984477
9.068628
-0.316521
other
Ba17Yb16Zn8Pt4O57
102
87
1,518.32
mp-560146
9.035139
8.854256
2.474705
other
Ba17Y16Zn8Pt4O57
102
87
1,551.25
mp-555356
8.673164
9.22715
2.086043
other
Ba13Dy8Zn4Pt4O37
66
87
1,034.49
mp-1229188
4.637616
4.451885
-3.3804
other
Al1C2Br5N2O6
16
87
260.69
mp-557741
9.147491
8.789294
2.611903
other
Ba17Tm16Zn8Pt4O57
102
87
1,509.97
mp-1196709
5.221077
3.940917
-4.316259
other
Mn4Nb2C16N16O16
54
87
881.42
mp-1218934
9.638292
11.376081
0.655278
other
Sr10Fe4Co1Mo5O30
50
87
633.67
mp-1218919
7.158431
11.12355
1.352781
other
Sr10Ca1Y4Co10O30
55
87
728.46
mp-17240
12.423339
7.263567
-0.780928
other
Rb1Na3Li12Si4O16
36
87
383.51
mp-561249
9.169163
8.754682
2.618413
other
Ba17Er16Zn8Pt4O57
102
87
1,522.17
mp-744025
8.873875
11.401555
0.973019
other
Sr8Mg3Fe1Mo4O24
40
87
511.69
mp-23983
11.584506
5.538573
-5.156388
other
V2Ni1P2H8O14
27
87
269.01
mp-774749
10.136862
11.749884
0.798892
other
Rb1Na3Li12Ti4O16
36
87
405.08
mp-1204055
11.734334
5.714411
-5.484803
other
P8H8Pt2I2O20
40
87
766.42
mp-1195951
12.976609
6.252442
-0.452675
other
Rb4Sc2Si8O20F2
36
87
552.14
mp-1194573
7.856999
1.152491
-4.351905
other
K1Fe1H24C14N8
48
87
555.42
mp-698214
7.877585
1.160763
-4.365383
other
K1Mn1H24C14N8
48
87
498.82
mp-1221778
11.925523
5.609619
-5.234541
other
Mn1V2P2H8O14
27
87
275.66
mp-1218897
8.795513
11.377089
0.976634
other
Sr10Mg4Fe1Mo5O30
50
87
640.37
mp-1211951
-6.804114
1.353902
-4.544561
other
K6Mo6C6Se8N4
30
87
662.53
mp-1203070
7.64292
5.699538
-4.947865
other
Na4Cu3S8N5O12
32
87
557.09
mp-24174
11.668535
5.555271
-5.176507
other
V2Co1P2H8O14
27
87
271.47
mp-556377
9.058535
8.770804
2.467002
other
Ba17Dy16Zn8Pt4O57
102
87
1,545.1
mp-557777
13.007599
6.209609
-0.516213
other
K4Sc2Si8O20F2
36
87
531.25
mp-1209084
7.835504
6.694546
-4.283666
other
Sb2P2N4O8F2
18
87
352.79
mp-555188
9.090608
8.73573
2.524352
other
Ba17Ho16Zn8Pt4O57
102
87
1,533.39
mp-17125
11.990539
7.786772
-1.066469
other
Cs1Na3Li12Ge4O16
36
87
421.25
mp-698446
8.463473
0.990808
-4.319185
other
H24Pt1C8N2F6
41
87
388.99
mp-1522023
5.98559
8.686144
-0.297065
other
Sr2Ca2Eu2Bi2O12
20
90
311.06
mp-559899
12.318116
7.824301
-7.003058
other
Ba2V2Cu8P8O34
54
90
696.2
mp-1520763
10.203571
11.037435
1.072379
other
Ba2Sr2Eu2W2O12
20
90
317.83
mp-1517195
9.361698
9.141637
2.18332
other
Sr2Ca2Pr2Sb2O12
20
90
301.99
mp-1195143
12.222037
7.176803
-6.898649
other
Ba2Ti2Cu8P8O34
54
90
683.94
mp-1200866
12.901164
5.88885
-1.430156
other
Na4Ti2Si8H8O26
48
90
599.84
mp-1520608
11.240973
10.388485
1.178346
other
Ba2Sr2Sm2W2O12
20
90
309.67
mp-1523151
5.913724
8.503757
-0.131093
other
Sr2Ca2Sm2Bi2O12
20
90
312.32
mp-1195138
12.183496
7.192111
-6.91334
other
Sr2Ti2Cu8P8O34
54
90
662.62
mp-1519952
10.066523
9.623941
3.515283
other
Sr2La2Eu2Nb2O12
20
90
311.79
mp-39684
10.036322
10.316093
1.606337
other
Gd4Ti4Cd4Sb4O28
44
91
557.41
mp-677151
7.704044
9.468028
-1.020801
other
Yb4Ti4Cd4Sb4O28
44
91
551.03
mp-39419
10.046868
10.31666
1.744785
other
Nd4Ti4Cd4Sb4O28
44
91
567.64
mp-645301
12.69249
8.168653
-6.621628
other
K8Co4P8W4O40
64
92
948.83
mp-1200466
8.293599
1.801671
-0.91011
other
Rb8Sb8S4O20F24
64
92
1,150.11
mp-1199641
10.485677
12.021111
-3.634752
other
Cs16V16Cu8Cl16O48
104
92
2,429.28
mp-1213742
8.294918
1.738137
-0.658667
other
Cs8Sb8S4O20F24
64
92
1,252.28
mp-560045
7.992137
1.56794
-4.41282
other
H40C8S8N16Cl8
80
92
1,094.15
mp-1202739
7.844592
1.029651
-4.483527
other
H24C8S4Br8N8
52
92
835.64
mp-744713
11.022177
5.377065
-5.357047
other
Na4Fe12P8H32O56
112
92
1,081.26
mp-556502
12.39465
7.983561
-6.593015
other
K8Ni4P8W4O40
64
92
937.39
mp-1195064
9.200476
1.646592
-4.13777
other
Sn8H88S24N16O12
148
92
1,810.51
mp-1194589
8.947829
2.443144
-4.659513
other
Ge4H24C8S8O24
68
92
853.19
mp-1209560
8.023301
2.742414
-1.641569
other
Sb8S4N8O20F24
64
92
1,081.15
mp-764968
11.265462
3.640023
-4.809316
other
In8P8H40N8O40
104
96
1,027.77
mp-1199747
7.791498
0.595078
-4.051281
other
Li8Mg4B16H136N24
188
96
1,642.4
mp-733729
12.784293
5.414185
-6.334871
other
Rb8In8P8H8O40
72
96
1,035.88
mp-767240
9.818984
2.501655
-4.392197
other
Cs4P4H16N8O8
40
96
503.01