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-1221158
12.846961
6.322116
-0.648245
other
Na4Sc1In3Si8O24
40
5
481.34
mp-1225140
8.939886
2.588113
-4.977855
other
Fe2H14C6N2O12
36
5
402.74
mp-1173719
13.273182
7.709655
-7.506638
other
Na4Mn4Fe2P6O24
40
5
466.64
mp-1227808
11.944416
6.922745
0.454781
other
Ca3Er3Ge2B1O13
22
5
286.85
mp-2231747
12.242784
12.54397
-2.23939
other
Mg1Ti1V4Fe1O12
19
5
252.09
mp-1219963
3.123455
3.154673
-3.949121
other
Rh2Au2N10Cl12O1
27
5
712.18
mp-1046616
11.999082
10.305075
1.048566
other
Sr4Y2V4Ga2O14
26
5
363.28
mp-1191992
4.747735
3.043625
-3.865897
other
Bi2C8S4Cl6O4
24
5
665.25
mp-23871
12.086101
7.13805
-7.381083
other
Cs1Mn1P3H1O10
16
5
243.33
mp-1252807
9.371504
10.070482
1.011412
other
Sr4Al2Ga2Co4O14
26
5
339.85
mp-1233606
10.559276
10.214954
1.753206
other
Sr4Mg1Mn2Ga2O10
19
5
281.36
mp-1235458
11.375127
11.281581
-1.597108
other
Rb2Li1Pr2W4O16
25
5
354.08
mp-2226857
10.987382
9.938922
2.588025
other
Sr2Hf1Mg1Cr1O6
11
5
160.91
mp-1173734
13.529002
7.297779
-0.911244
other
Na1Ca3Fe4Si8O24
40
5
464.58
mp-698686
12.878958
6.841122
-1.192506
other
Na3Ca1Fe4Si8O24
40
5
516.54
mp-762852
11.400121
4.261331
-4.495593
other
Na4P4H24O22F4
58
5
624.74
mp-2228762
8.375978
10.655585
-3.154591
other
K3Na1Mg1Cr2O8
15
5
258.14
mp-1173624
10.472481
9.456264
-1.940273
other
Nd10Te14Mo2Cl6O46
78
5
1,311.67
mp-2229576
-3.527305
-1.193567
-5.328071
other
Cs4Mg1Nb2Ag2S8
17
5
542.33
mp-767440
13.626291
7.973241
-7.148184
other
Li4Mn2Fe4P6O24
40
5
472.26
mp-1353956
9.181904
0.925468
0.633455
other
Ba4Ca1Cr4Cu2F28
39
5
574.98
mp-1221399
12.351512
6.972104
-1.27767
other
Na2Al1Fe1Si4O12
20
5
215.72
mp-1198239
10.831895
9.163845
-3.697071
other
Rb8Mo10H8Se4O46
76
5
1,262.86
mp-1204865
10.303223
4.414021
-6.560596
other
K8Ce4H8S12O52
84
5
1,179.76
mp-1224338
8.597771
3.668898
-7.005615
other
K4Gd2C3O9F4
22
5
336.06
mp-1221775
8.848337
2.543585
-4.996747
other
Mn2H14C6N2O12
36
5
415.99
mp-562568
12.923734
6.446041
-0.796031
other
K2Ho2Co2Si4O14
24
5
321
mp-1233213
13.72518
7.918848
-0.809397
other
Sr2Mg1V2Si4O14
23
5
297.72
mp-1235241
9.815105
2.343616
-2.214291
other
Li1Ti1H6O2F6
16
5
172.78
mp-1173809
11.85981
7.496991
-7.647314
other
Na5Mg4Fe8P12O48
77
5
888.69
mp-1223687
5.265276
-0.377864
-2.975243
other
Li3Ce4B12H48Cl4
71
5
778.25
mp-2230218
11.973604
12.607609
-2.698232
other
Mg1Ti1V4Co1O12
19
5
274.4
mp-1224952
-5.625066
-3.048782
-3.005669
other
Ga2Cu1Ag1Te2Se2
8
5
216.5
mp-1173541
12.074389
9.074811
-3.598258
other
Na1Mn2Mo2H3O10
18
5
225.03
mp-1224225
-3.830799
-1.127408
-5.504059
other
K6Ta2Nb2Cu6S16
32
5
832.5
mp-677551
12.938471
6.479712
-0.729202
other
Na6Mg1Al4Si13O36
60
5
625.27
mp-1176971
14.196028
8.527364
-7.315216
other
Li12Mn2V6P12O48
80
5
948.99
mp-1046341
9.282837
10.241362
1.188674
other
Sr4Al2Cu4Sb2O14
26
5
343.85
mp-2231564
11.357577
12.55015
-3.357025
other
Mg1Mn1V4Ni1O12
19
5
275.27
mp-735519
12.928498
6.461277
-0.736106
other
K2Ho2Co2Si4O14
24
5
329.51
mp-2230429
11.242858
12.348797
-3.446561
other
Mg1V4Co1Ni1O12
19
5
248.52
mp-1042742
7.763923
10.679592
1.14818
other
Sr4Al2Fe2Cu4O14
26
5
332.88
mp-1190437
8.243576
2.741961
-4.939966
other
Yb1H9C5N2O8
25
5
275.25
mp-694917
13.307173
7.382926
-5.480541
other
Na4Ca1Fe4P6O24
39
5
574.32
mp-771836
12.447292
6.909801
-1.129809
other
Li2Sc1Fe1Si4O12
20
5
222.94
mp-1226146
8.837458
2.582147
-4.970202
other
Co2H14C6N2O12
36
5
392.06
mp-2230447
11.505119
12.448186
-3.364657
other
Mg1Mn1V4Ni1O12
19
5
249.34
mp-779876
13.452305
8.388768
-7.913773
other
Li12Mn4V4P12O48
80
5
943.78
mp-1223747
7.879601
6.460888
-3.301742
other
K4Mn2H8I8O28
50
5
764.36
mp-1221527
12.978851
6.306076
-0.759634
other
Na4Mg6Zn4Si24O60
98
5
1,321.39
mp-684864
13.004305
6.340192
-0.625749
other
Na6Al4Fe1Si8O26
45
5
572.81
mp-1191313
8.196527
2.294614
-1.39236
other
Nb2H4N4O2F10
22
5
352.81
mp-1173612
10.503184
9.456593
-1.905232
other
Pr10Te14W2Cl6O46
78
5
1,336.94
mp-2242231
12.165774
11.227177
-2.288609
other
Ho2Mg1Mo2Cl2O8
15
5
250.65
mp-887412
14.313031
8.522132
-7.280138
other
Li12Mn2V6P12O48
80
5
924.78
mp-541335
8.038066
2.291162
-1.337699
other
As4Se4S2N4F24
38
5
618.23
mp-1194943
7.868863
3.744943
-3.702446
other
Te6C4S4O12F12
38
5
671.54
mp-1214069
13.11866
6.085426
-0.841491
other
Ca2Zr2Si12H4O30
50
5
757.27
mp-2239978
-3.724144
-1.440634
-5.51213
other
K1Mg1Ag2Sb1S4
9
5
233.93
mp-780477
13.413636
8.362953
-7.837663
other
Li6Mn2V2P6O24
40
5
431.54
mp-1227399
13.302529
7.103546
-0.707378
other
Ca4Mg2Fe2Si8O24
40
5
463.19
mp-684912
13.469232
7.183026
-0.893807
other
Na1Ca3Fe4Si8O24
40
5
530.08
mp-2227637
12.142772
11.273338
-2.352364
other
Er2Mg1Mo2Cl2O8
15
5
247.79
mp-1190242
8.516841
2.545607
-4.960819
other
Tb1H9C5N2O8
25
5
263.79
mp-1214359
8.145845
1.905004
-4.506372
other
Cd3H28C12N30O2
75
5
726.22
mp-1216234
-4.637835
-1.278361
-5.863724
other
Zn4Fe1Cu10Ge5S20
40
5
757.42
mp-1219762
8.429556
1.425236
0.707031
other
Rb6Na2Nb4O6F20
38
5
679.46
mp-694890
13.036669
7.023985
-1.123045
other
Na1Ca1Fe2Si4O12
20
5
228.61
mp-1190565
8.492478
2.570982
-4.961082
other
Gd1H9C5N2O8
25
5
270.39
mp-1190571
8.481268
2.548245
-4.940364
other
Y1H9C5N2O8
25
5
263.57
mp-1358947
9.309715
0.660597
0.309619
other
Ba4Ca1Fe4Cu2F28
39
5
589.45
mp-1192427
12.442747
6.737676
-0.154799
other
Sr3Nb1Ga3Si2O14
23
5
337.15
mp-766206
7.684406
10.223761
2.076943
other
Sr1Li4La15Co4O32
56
5
738.51
mp-776880
13.119143
7.799949
-7.2211
other
Li4Fe4Ni2P6O24
40
5
456.91
mp-866712
12.036798
7.253247
-7.404489
other
Rb2Mn2P6H2O20
32
5
440.23
mp-770404
14.734516
8.172214
-5.832747
other
Li8V4Si2P4O24
42
5
471.34
mp-2220526
11.052063
9.950529
2.40028
other
Sr2Mg1Zr1Cr1O6
11
5
164.11
mp-776454
8.698661
3.800187
-7.444378
other
Li9Cr4C8S2O32
55
5
595.79
mp-1227662
13.311907
7.099562
-0.777186
other
Ca4Zn2Fe2Si8O24
40
5
465.46
mp-695449
13.123807
5.772283
-2.84492
other
Ca4Ga4Bi2B8O28
46
5
571.14
mp-2218748
8.855011
6.521271
-3.714455
other
Na1Mg1Fe1Se2O8
13
5
190.72
mp-1222675
15.118937
8.530981
-4.627753
other
Li8V4P4O16F4
36
5
393.53
mp-1221210
12.775229
6.259316
-0.396298
other
Na4Al3Si3Cl1O12
23
5
363.36
mp-1229234
-5.170752
-2.776447
-4.109736
other
Cd4Fe1Cu10Sn5Se20
40
5
1,012.5
mp-766215
12.002965
7.191955
-1.829457
other
Na5Li1Fe6Si12O36
60
5
666.83
mp-2217781
7.725014
2.316156
-1.024441
other
Mg1Sb1S2N1F6
11
5
247.61
mp-1233419
11.711434
11.134233
-1.29371
other
Rb2Nd2Mg1W4O16
25
5
352.47
mp-2230449
12.237911
12.46997
-2.233097
other
Mg1Ti1V4Fe1O12
19
5
249.2
mp-2226805
12.190105
11.26716
-2.183758
other
Y2Mg1Mo2Cl2O8
15
5
270.56
mp-1101479
12.018505
7.236307
-1.841309
other
Na1Li9Fe10Si20O60
100
5
1,086.45
mp-1355181
9.36438
1.715038
1.011151
other
Ba4Ca1V4Cu2F28
39
5
588.09
mp-684827
9.232191
1.139988
0.758159
other
Cs2Nb2Ni2O4F8
18
5
290.39
mp-1224238
10.484629
4.159652
-5.335621
other
K4Mg2H16S4O24
50
5
579.34
mp-1221478
12.077091
6.820687
-7.014678
other
Na4Cd4Fe2P6O24
40
5
489.04
mp-644442
7.566946
4.535264
-4.640607
other
Sn2H4N4O6F4
20
5
257.18
mp-1220171
8.824059
2.655498
-4.978709
other
Ni2H14C6N2O12
36
5
384.93
mp-1221475
12.19175
6.536862
-7.418987
other
Na4Fe2Sn2P6O24
38
5
495.52
mp-695243
9.797052
11.093802
3.295519
other
Na4Sr2La4Ti10O30
50
5
597.17
mp-2232476
12.069249
11.195145
-2.337476
other
Gd2Mg1Mo2Cl2O8
15
5
259.33
mp-2229952
-3.600209
-0.846262
-5.362057
other
K4Mg1V2Ag2S8
17
5
476.77