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-559616
6.977935
0.911348
-4.41302
other
P4H12C4S12
32
14
605.18
mp-758583
14.641522
8.365584
-6.585369
other
Li4V4P8O28
44
14
567.78
mp-777104
13.874845
7.072416
-6.463163
other
Li8Cr4P16O48
76
14
1,100.97
mp-6537
11.626331
7.533756
-1.143675
other
Ca4Cu4Ge8O24
40
14
489.85
mp-1203360
7.191019
6.410426
-4.466837
other
Sm4S8N4O48
64
14
1,368.2
mp-1203795
6.491286
0.302079
-3.54405
other
B44H40S4I4
92
14
1,381.26
mp-755345
10.821101
8.202991
-7.301815
other
Li4Cr4P4O20
32
14
358.61
mp-541148
10.699786
10.78603
-3.493897
other
K4U4V4O24
36
14
601.86
mp-680387
11.354378
6.773321
-0.788623
other
Pr4Y4Si8O28
44
14
676.45
mp-556965
9.333454
6.868864
-3.750402
other
Np4Ag4Se4O20
32
14
496.41
mp-643735
8.530468
1.370854
-4.306928
other
H16Pd2N4Cl12
34
14
475.31
mp-1047946
9.157412
0.726359
1.013681
other
Ba4Ca4Fe4F28
40
14
607.08
mp-1043170
11.983203
7.581478
-1.221095
other
Ca4Co4Ge8O24
40
14
487.53
mp-738288
2.579346
3.067633
-4.339111
other
Zn4Au8Cl32O8
52
14
1,472.62
mp-1199574
11.700747
5.31942
-4.453582
other
Ca16As12H36O64
128
14
1,338.45
mp-11905
7.537861
10.446692
1.356818
other
Li2Nd4Ir2O12
20
14
247.86
mp-1201672
5.376459
-0.499299
-3.022226
other
Na4Zn8B20H80
112
14
1,333
mp-560163
12.300554
6.558747
-0.070846
other
Ca16Si8O28F8
60
14
840.68
mp-1047051
14.231791
8.357206
-3.123067
other
Ti6Zn2P8O28
44
14
545.84
mp-540868
12.081908
6.498673
-0.049958
other
Ca12Si4Cl8O16
40
14
712.84
mp-556799
13.68524
4.83939
-2.446807
other
Li12In4B8O24
48
14
489.38
mp-1191513
13.526217
4.422762
-2.033965
other
Na6Sc2B4O12
24
14
274.62
mp-757054
11.789112
8.1589
-7.50245
other
Li4Cr4P4O20
32
14
378.58
mp-758200
12.431039
7.489093
-7.420636
other
Li8Ni8P8O32
56
14
590.2
mp-555688
3.711184
2.745188
-3.984016
other
W4S8N12Cl12
36
14
855.51
mp-1212633
11.69436
7.464107
-0.399533
other
La4Ga4Ge8O28
44
14
581.36
mp-1351337
12.90845
8.000818
-3.194003
other
Ca6Ti6As8O32
52
14
760.94
mp-621953
5.73303
3.238209
-4.570038
other
Re8C32I8O32
80
14
1,594.93
mp-1334271
7.088094
10.475153
1.493173
other
Ba12Y20Co12O60
104
14
1,476.57
mp-6109
12.542263
6.605217
-0.749291
other
Ca4Ti4Si4O20
32
14
381.11
mp-562541
8.682254
8.586085
-0.139949
other
Cs8Na12Tl4O16
40
14
805.24
mp-6637
-4.053545
-1.225334
-5.517328
other
Mn2Ag8Sb4S12
26
14
576.03
mp-604486
8.18675
0.754427
-3.950325
other
Li4B12H72N20
108
14
998.77
mp-1199233
7.617433
7.929581
-3.938895
other
Cs8Te4P4O40
56
14
1,150.29
mp-1019602
13.631361
4.637707
-1.917387
other
Cs4Al4B4O14
26
14
433.81
mp-1204785
13.729753
4.210227
-2.134931
other
K12Cd4B20O40
76
14
1,097.1
mp-558181
13.443995
4.959279
-1.975594
other
Na12Si12B12O48
84
14
846.35
mp-558995
6.384501
3.975375
-4.461091
other
K4C4N12O8
28
14
447.77
mp-776428
13.117958
5.31288
-3.037724
other
Li4Ni4B4O12
24
14
261.67
mp-1202093
9.988346
6.012644
-3.540158
other
Ce4B32Cl4O80
120
14
1,550.92
mp-1202714
12.832377
5.887751
-5.84312
other
Si4P4H4O20
32
14
291.83
mp-1196972
-4.135963
-2.512095
-3.569893
other
K12Ag12P12Se36
72
14
2,105.31
mp-1201240
7.964071
4.694717
-6.413054
other
Rb8Cu4C8O28
48
14
795.15
mp-757818
14.394572
7.332269
-6.96878
other
Li12Mn12P12O48
84
14
1,024.98
mp-1201985
5.379788
-0.428467
-3.007697
other
Rb4Y4B16H64
88
14
1,155.28
mp-1042739
11.458899
7.576141
-4.283569
other
Ca4Co4As8O28
44
14
602.74
mp-695962
7.949454
1.193755
-4.037359
other
Li4Al4H32N16
56
14
656.5
mp-1379935
13.117332
8.342379
-0.843527
other
Mg4Cr4Ge8O24
40
14
489.75
mp-572726
2.425732
2.792449
-4.423043
other
Sb8Se8Cl56O8
80
14
2,575.79
mp-1220462
9.898917
2.303664
-4.278019
other
P4H72N12O28
116
14
948.29
mp-541897
-4.139555
-2.544992
-3.481917
other
Rb4Cd2P4Se12
22
14
693.84
mp-768798
13.612803
4.969388
-2.322121
other
Li12Bi8B12O36
68
14
726.75
mp-17031
13.421208
5.792064
-6.934091
other
K4Al4P8O28
44
14
568.76
mp-1211045
7.75126
10.557725
1.516007
other
Li2Gd4Ru2O12
20
14
239.16
mp-6676
7.742565
10.538067
1.469503
other
Sr4Ho2Ru2O12
20
14
280.19
mp-705331
9.750665
7.940929
-6.210794
other
Li4Ni4P8O28
44
14
510.44
mp-770360
12.95187
10.012399
-0.212211
other
Li8Al4V4O16
32
14
365.96
mp-1201375
9.951614
2.38149
-2.672796
other
Zr4H24O12F16
56
14
564.79
mp-1277741
12.034739
11.615373
-1.057125
other
Zn4Cr2W2O12
20
14
213.98
mp-744574
9.991422
5.255714
-4.24883
other
Co2H12Se4O16
34
14
375.48
mp-1040883
14.593228
7.760432
-5.567574
other
Ca2Fe6P8O28
44
14
524.6
mp-614997
-2.164742
-0.163648
-4.689276
other
Sn4S64Cl16O8
92
14
2,850.2
mp-559099
6.26744
5.020111
-4.523964
other
K12Cu4N20O60
96
14
1,452.69
mp-1197255
6.760883
6.573697
-3.895006
other
Hg4N16Cl8O32
60
14
1,187.74
mp-1196547
8.442719
2.179728
-1.01614
other
Tl4As4H8F40
56
14
766.09
mp-640883
10.85949
10.331435
-2.111959
other
V8Bi8Pb16O48
80
14
1,375.95
mp-704944
10.806052
12.061093
-3.979871
other
V8Ag16O24F8
56
14
771.66
mp-1203737
6.584287
5.948799
-3.687933
other
Mg4Zn4Br16O28
52
14
978.93
mp-559291
13.781483
7.189176
-5.463401
other
Sn8P4C4O24
40
14
660.12
mp-706622
9.624453
2.012158
-4.240594
other
P4H24N8O8
44
14
409.46
mp-1208534
10.239217
9.595409
3.304652
other
Tb4Mg2Ti2O12
20
14
234.15
mp-1199170
9.396993
7.706925
-3.990987
other
Sr8V8Se12O52
80
14
1,274.55
mp-754744
15.390854
5.666896
-2.177075
other
Li4Mn4B4O12
24
14
279.99
mp-1204235
7.662642
8.942063
-3.824092
other
Cr12As4N8O52
76
14
1,449.06
mp-558122
11.555403
4.053008
-7.665404
other
Gd4S4Cl4O16
28
14
421.51
mp-1048235
13.067231
7.390335
-6.923966
other
Mg4Co4P8O28
44
14
499.08
mp-1199217
2.418561
3.195986
-4.345154
other
K8Tl4Cl20O8
40
14
1,049.43
mp-6168
-4.470623
-2.076501
-3.358979
other
K12Nb8Cu4Se48
72
14
2,101.81
mp-561273
9.326286
7.264556
-3.768465
other
V8Cd24Se20O84
136
14
2,118.92
mp-1200957
10.612085
9.671829
-2.410472
other
V4In4Te8O32
48
14
722.99
mp-21667
14.07713
4.60095
-2.187036
other
Ce4Zn4B20O40
68
14
648.89
mp-17966
13.105224
5.591205
-6.834989
other
K4In4P8O28
44
14
658.06
mp-1177557
9.513204
7.964105
-5.969846
other
Li12Ni8P12O48
80
14
949.33
mp-1200069
10.423843
9.69773
-3.754963
other
Cu8Mo4Se4O28
44
14
626.77
mp-1200047
8.107424
2.580942
-1.313681
other
K8Mo4O16F16
44
14
754.19
mp-1202726
10.833623
11.982251
-3.404153
other
Ba8V12Bi4O44
68
14
1,134.29
mp-1048270
14.136732
7.648046
-6.16187
other
Zn4Fe4P8O28
44
14
512.27
mp-1047130
7.541028
12.194289
-1.05795
other
Zn8Ni4Ir4O24
40
14
421.31
mp-758151
14.656776
7.593816
-5.355369
other
Li12Ti4P8O32
56
14
570.22
mp-1213126
11.730388
7.455508
-0.45925
other
Dy4Ga4Ge8O28
44
14
545.11
mp-1194560
12.873959
5.773801
-6.17234
other
Rb8Cd4P8O28
48
14
876.91
mp-764152
12.568926
7.314532
-7.529333
other
Li16Ni8P16O56
96
14
1,028.79
mp-775266
13.159704
7.482756
-7.176282
other
Li4Cr4P16O48
72
14
944.13
mp-1204173
7.088887
6.164131
-2.963415
other
Mn2Bi4I16O16
38
14
1,201.88
mp-1214921
7.837398
2.342727
-1.338271
other
As4Se4Br12F24
44
14
995.02
mp-772628
15.14017
6.13343
-2.116046
other
Li12V4B8O24
48
14
435.86
mp-1333351
12.143705
7.528264
-3.71962
other
Zn6Sn6As8O32
52
14
782.32
mp-779306
13.027337
5.812311
-2.989271
other
Li12Fe4B8O24
48
14
451.58
mp-540179
14.848023
7.866699
-5.418818
other
Li4Cr6P8O28
46
14
547.89
mp-540736
13.012939
6.210929
-6.560716
other
Ba4Cd4P16O48
72
14
1,050.77