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-1224129
-4.858665
-2.840375
-4.005167
other
In1Cu1Sn1Se4
7
82
199.86
mp-1223893
-4.729952
-2.79093
-3.897038
other
In1Ag1Ge1Se4
7
82
192.92
mp-1223359
11.405993
11.103663
-3.915482
other
K1Sm1Mo2O8
12
82
175.95
mp-1227669
12.093502
7.331702
0.31818
other
Ca4Al6Cr1O16
27
82
408.5
mp-724470
7.014106
6.530281
-4.049156
other
Zn1Mo1N4O8
14
82
261.96
mp-1224211
-3.68756
-1.481063
-5.578555
other
K3Ag9Sb4S12
28
82
716.16
mp-2226140
-4.573531
-0.604872
-5.441291
other
Mg1Cu2W1S4
8
82
181.77
mp-698325
8.669074
3.26285
-5.566864
other
Ba4H16C12O24
56
82
728.6
mp-8873
13.331425
4.88598
-2.240446
other
Li1Ge1B1O4
7
82
72.73
mp-628665
1.341711
2.20777
-5.260552
other
Al4Bi4Te4Cl16
28
82
929.02
mp-632402
8.964317
1.682293
1.567406
other
Li1Ca1U1F8
11
82
154.8
mp-559185
11.270291
11.071198
-3.629192
other
Li16Bi4Mo14O56
90
82
1,244.2
mp-1228950
-5.269541
-2.818678
-4.276986
other
Al1Ga1Cu2Se4
8
82
178.53
mp-1104176
11.080964
11.010864
0.457522
other
Ba1Ho1Fe4O7
13
82
187.19
mp-1223852
-4.255691
-1.356573
-5.916036
other
In1Ga1Ag2S4
8
82
188.88
mp-637206
1.38675
2.232471
-5.36824
other
Al4Bi4Se4Cl16
28
82
857.54
mp-39995
5.97859
10.232795
-1.249999
other
Sr1Nb1Fe1O6
9
82
124.33
mp-1224876
-4.76394
-2.701879
-3.963271
other
Ga1Ag1Sn1Se4
7
82
198.99
mp-761486
14.779449
7.732436
-5.582012
other
Li4Fe4P4O16
28
82
358.05
mp-1223856
-6.069645
-3.364154
-2.308378
other
In1Ga1Ag2Te4
8
82
266.97
mp-2223622
14.863007
7.002285
-2.018844
other
Mg1V1B1O4
7
82
79.47
mp-2241251
7.339608
9.774635
0.318125
other
La2Mg1Cu4O8
15
82
200.96
mp-1225065
-4.719909
-1.073741
-5.653006
other
Fe1Cu2Ge1S4
8
82
149.5
mp-2210710
13.914161
8.328054
-2.918563
other
Mg1Fe1P1O4
7
82
94.61
mp-866713
1.450663
2.842867
-4.482389
other
Re4Te4S4Cl16
28
82
843.56
mp-1025333
-3.446004
-0.250585
-4.903891
other
Ag1W1S4N1
7
82
193.06
mp-2226153
1.571018
1.993332
-4.054265
other
Mg1W1Br4O1
7
82
176.22
mp-1224861
-6.100242
-3.205721
-2.27614
other
Ga2Cu1Ag1Te4
8
82
238.68
mp-1209338
13.100113
6.000596
-6.271186
other
Rb2Sr1P4O12
19
82
294.17
mp-1227619
12.484889
6.863639
0.468098
other
Ca4Al6S1O16
27
82
405.76
mp-2225329
14.34745
7.413049
-4.987742
other
Mg1Cu1P1O4
7
82
88.48
mp-1223057
11.442452
11.013235
-3.896645
other
La1Ag1Mo2O8
12
82
166.16
mp-1215591
10.023723
10.688213
-3.910542
other
Yb1Ag1Mo2O8
12
82
158.01
mp-2226817
7.302206
9.912745
0.208904
other
Dy2Mg1Cu4O8
15
82
183.14
mp-1105068
11.079962
11.023495
0.461628
other
Ba1Y1Fe4O7
13
82
187.53
mp-1227671
12.356072
7.281479
0.424199
other
Ca4Al6Mo1O16
27
82
416.29
mp-1222503
10.413876
11.210199
-2.887735
other
Li1Eu1W2O8
12
82
160.08
mp-1222367
11.262942
11.163322
-2.551807
other
Li1La1W2O8
12
82
168.08
mp-1203853
6.089895
3.655767
-4.591367
other
Re4C12O16F4
36
82
661.96
mp-1229046
-5.259053
-2.815816
-4.250387
other
Al1In1Cu2Se4
8
82
189.82
mp-1223495
11.394127
11.096252
-2.459991
other
K1La1W2O8
12
82
186.11
mp-1219697
-3.675845
-1.494365
-5.556014
other
Rb3Ag9Sb4S12
28
82
735.73
mp-1220703
11.262634
11.079075
-3.874538
other
Na1Y1Mo2O8
12
82
159.55
mp-1104863
10.163185
11.74511
-0.273934
other
Ba1Yb1Fe4O7
13
82
186.89
mp-1197672
8.342475
7.136172
-4.0004
other
Na12B2Se10O42
66
82
975.38
mp-758521
9.982821
7.822246
-3.014516
other
Li4Co4Si4O16
28
82
343.95
mp-1222323
11.214596
11.210382
-2.559235
other
Li1Nd1W2O8
12
82
163.09
mp-1218503
7.621597
10.478691
1.076317
other
Sr8Ru1Rh3O16
28
82
397.96
mp-2232282
7.21339
9.873804
0.150239
other
Sm2Mg1Cu4O8
15
82
189.06
mp-1221069
11.194008
11.230796
-2.606422
other
Na1Dy1W2O8
12
82
158.34
mp-1217432
-4.81641
0.27908
-4.692272
other
V20Ga1Ge4S40
65
82
1,135.96
mp-1222542
-6.10639
-3.335033
-2.253817
other
Li1In2Cu1Te4
8
82
259.11
mp-8874
13.552778
4.969571
-1.977962
other
Li1Si1B1O4
7
82
68.31
mp-1251539
8.517475
1.215932
-3.802924
other
Rb2Al2H16N8
28
85
302.93
mp-560133
9.119684
7.402635
-1.964571
other
Tl2Pb16Br18O8
44
85
1,334.73
mp-1104904
7.880286
7.230472
-4.397973
other
Cu2B2Cl2O8
14
85
175.14
mp-634446
8.514205
1.213624
-3.777274
other
Cs2Al2H16N8
28
85
296.47
mp-24515
7.676218
1.307952
-3.975734
other
Rb2Al2H16N8
28
85
376.28
mp-1195820
11.858485
8.295141
3.24759
other
Ho18Sb10C2O8
38
85
876.85
mp-1202349
8.418818
1.052544
-3.961604
other
Li2H26C4N8
40
85
401.49
mp-1210712
7.996897
1.092091
-4.027191
other
Rb8Al4H16N8
36
85
731.49
mp-1237686
7.653449
0.839697
-4.040241
other
Rb8Al4H16N8
36
85
762.16
mp-558846
11.024201
7.784883
-3.932535
other
Cs8As16Pd12O56
92
85
1,693.07
mp-558364
10.17284
9.443436
-2.039489
other
Cu8Te10Cl8O24
50
85
855.76
mp-560923
9.455417
7.785552
-1.680114
original
Ag2Pb8Cl2O8
20
85
437.53
mp-559301
7.762969
2.450811
-1.217456
other
Sb2P2Cl8F12
24
85
527.49
mp-1193778
8.533018
1.205728
-3.762428
other
Rb2Al2H16N8
28
85
276.6
mp-1196632
11.789458
8.265961
3.165406
other
La18Sb10C2O8
38
85
1,058.2
mp-762197
8.519162
1.201064
-3.784691
other
Rb2Al2H16N8
28
85
326.88
mp-706910
12.186392
4.045268
-3.482193
other
Mg4B8H24O28
64
86
486.56
mp-1196220
9.043014
3.400911
-5.76535
other
Tb4H28C16O44
92
86
1,016.3
mp-698287
8.352454
3.846545
-5.979287
other
Y4H8C16O36
64
86
995.99
mp-1238179
8.595944
3.984962
-5.555412
other
Yb4H28C16O44
92
86
1,040.64
mp-559932
8.59696
1.659644
-0.393679
other
K8Te8O8F24
48
86
855.44
mp-572906
11.020053
11.02984
-3.61813
other
Cs8U8Mo12O64
92
86
1,818.81
mp-569349
-4.325722
-2.606206
-3.61301
other
Rb16Hg8P8Se40
72
86
2,407.39
mp-1197858
8.333586
2.44951
-1.042653
other
Os8Xe8O24F64
104
86
1,772.78
mp-554793
9.029597
3.411698
-5.707004
other
Y4H28C16O44
92
86
994.77
mp-705116
9.842087
11.411737
0.782583
other
Sr8Mn4Mo4O24
40
86
535.02
mp-1200794
8.731749
3.763675
-5.596171
other
Yb4H28C16O44
92
86
1,026.72
mp-667386
8.923152
0.940847
1.445235
other
Na12Sr16Al20F104
152
86
2,011.09
mp-23925
9.719724
4.156483
-4.401671
other
Tc2H8N2O8
20
88
243.7
mp-1236926
7.898063
4.110175
-3.592035
other
Tc4H8N4O8
24
88
237.43
mp-641281
11.342999
11.191583
-3.768494
other
Na8Pu2Mo8O32
50
88
778.42
mp-1201776
5.553005
4.900952
-4.226284
other
Co4N20Cl4O16
44
88
766.6
mp-24128
9.402155
3.359855
-4.264141
original
Re2H8N2O8
20
88
239.36
mp-776409
7.106484
12.499753
-1.061698
other
Li24Mg8Ni8O32
72
88
760.15
mp-1209706
4.596394
2.187645
-3.08045
other
Rb4B4C8N8
24
88
568.21
mp-770591
11.511049
10.439533
0.144905
other
Li24Mn8Al8O32
72
88
796.25
mp-849800
9.477341
4.925986
-4.402009
other
H56S8I8O80
152
88
1,626.14
mp-12334
4.04879
2.257921
-3.147495
other
K2Tl2C8N8
20
88
468.64
mp-1204501
5.373012
-0.432434
-3.008383
other
Cs2Y2B8H32
44
88
555.37
mp-1209200
7.613745
4.074449
-3.601894
other
Re4H8N4O8
24
88
262.04
mp-6785
8.6276
1.311595
1.747641
other
K12U4O8F20
44
88
749.18
mp-771900
10.126154
11.467935
-0.27742
other
Li24Al8Co8O32
72
88
763.68
mp-650814
5.805927
3.341594
-4.570713
other
Ga8Re16C72O72
168
88
2,903.17
mp-561234
8.652249
1.447274
1.348314
other
Ba4Na4Zr8F44
60
88
842.62
mp-1020107
2.458167
2.115954
1.719728
other
Li8Ca8Al24N32
72
88
817.1
mp-770491
9.375793
12.323456
-0.373699
other
Li24Al8Ni8O32
72
88
717.14
mp-1195932
9.806903
1.820588
-3.647384
other
Sc6H40N10F28
84
88
855.63