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-530184
12.416538
7.778145
-0.457535
other
Al16Ni8O32
56
8
537.31
mp-1225770
-8.002246
-4.820227
4.984163
other
Dy6Ga19Pt3
28
8
523.08
mp-1101681
9.510588
8.708645
-0.266461
other
Nd2Bi7O14
23
8
407.96
mp-1224093
-4.120128
-4.263453
-3.800543
other
Ho4Cr1Se7
12
8
296.64
mp-34857
6.500779
5.127093
-4.463816
other
K1N1O2
4
8
71.85
mp-753417
10.80829
10.19195
3.656326
other
Zr14V2O32
48
8
561.43
mp-1221958
10.579324
8.940492
0.322664
other
Mg1Zn3O4
8
8
94.81
mp-1224158
-7.932297
-4.376117
5.992483
other
Ho2Ga3Fe1
6
8
116.48
mp-1228188
-6.378782
-7.310826
2.521986
other
Ba4Tl13Hg3
20
8
636.06
mp-1221509
-5.689503
-1.150187
2.026634
other
Mo2As1P3
6
8
92.66
mp-675376
-4.262973
-4.056121
-3.955624
other
Ho2Ag2Se4
8
8
196.98
mp-1219236
-0.669028
1.511373
-4.04255
other
Re6Br16Cl2
24
8
774.13
mp-1354911
8.06798
11.27611
-1.943129
other
Al10Co6O24
40
8
398.53
mp-1044930
11.156975
9.314343
0.388847
other
Mg6Sn12O24
42
8
606.29
mp-1216753
-4.190428
-4.216806
-3.821184
other
Tm4Cr1Se7
12
8
290.29
mp-998212
-0.547926
1.242105
-4.554368
other
Rb1Ag1Br3
5
8
161.61
mp-1217531
-5.559647
-1.311242
4.335275
other
Th1U3Re8
12
8
223.26
mp-1101237
15.072826
12.455947
-0.797782
other
V6O7F5
18
8
205.48
mp-1222400
-8.080549
-4.774493
5.653804
other
Lu2Ga3Ni1
6
8
109.55
mp-626080
12.371483
6.413894
-3.962607
other
V3H5O8
16
8
132.42
mp-1179184
6.772575
6.166221
-3.439788
other
Tl1Br1O3
5
8
97.84
mp-1223337
-5.982922
-4.721101
1.09503
other
La6Mn1Sb15
22
8
671.69
mp-770762
6.129057
9.919403
-0.150335
other
La7Fe2O16
25
8
371.18
mp-1365417
12.745443
11.793386
-0.281453
other
Ca6V12O24
42
8
526.35
mp-1274918
5.964379
11.084789
-1.837115
other
Ti4Fe4O16
24
8
280.74
mp-1379379
12.876806
10.947342
1.77763
other
Ti12Zn6O24
42
8
474.52
mp-1227625
7.130344
9.413588
-0.456237
other
Ca3Tl4O9
16
8
225.37
mp-694856
10.164578
9.568319
-1.337356
other
V2Bi8O17
27
8
447.11
mp-1219473
-5.614671
-3.679978
-2.16719
other
Sb4Te3Se3
10
8
309.48
mp-998363
8.645228
10.78793
-0.400226
other
Ni1Bi1O3
5
8
59.39
mp-532446
10.968238
8.82193
-0.754621
other
Ga16Ni8O32
56
8
587.77
mp-1223083
-6.739336
-4.693418
6.191457
other
La3Nd3Al22
28
8
574.58
mp-1225337
-2.687711
-2.712443
-5.728332
other
Dy4Mn1S7
12
8
262.61
mp-1226160
-5.530218
-0.104083
-5.643059
other
Cr5In1S8
14
8
262.5
mp-1221335
-5.997492
-3.172153
-2.1256
other
Na2Mn3Te4
9
8
275.09
mp-1216628
-2.686239
-2.782779
-5.719037
other
Tm4Mn1S7
12
8
256.12
mp-1216175
-2.745424
-2.748745
-5.694404
other
Y4Fe1S7
12
8
259.21
mp-753480
9.814996
12.229886
-4.162262
other
Li1V3O8
12
8
146.25
mp-1333917
12.937121
12.40519
-0.578259
other
Mg8V16O32
56
8
626.99
mp-1216600
-6.408459
-2.46603
-1.696034
other
V1Cr2Te4
7
8
172.18
mp-1221530
-4.878119
-1.598123
-6.472675
other
Mn2Zn8S10
20
8
413
mp-1225351
-4.221885
-4.19581
-3.754839
other
Dy4Mn1Se7
12
8
299.15
mp-531088
7.969021
13.454749
-1.098909
other
Mg12Fe24O48
84
8
855.07
mp-1228004
-5.149781
-4.518482
6.092366
other
Ce5Nd5Si6
16
8
412.68
mp-763344
9.844745
12.242076
-4.158713
other
Li1V3O8
12
8
148.27
mp-2458726
0.830987
2.438337
1.94449
other
Zn4Mo2N6
12
8
150.1
mp-1247315
5.032528
3.213774
-3.376419
other
Si4S2N4
10
8
192.44
mp-530411
-4.245268
-1.169259
-5.82052
other
Cu12Sn21S48
81
8
1,757.95
mp-761131
7.846128
13.258368
-1.294708
other
Sr2Fe23O38
63
8
728.44
mp-674948
11.124353
11.519281
-3.389126
other
V2Mo2O10
14
8
180.35
mp-1047985
10.343994
9.710029
0.091652
other
Zn1Sn4O8
13
8
190.89
mp-20134
4.248238
2.349635
-2.911647
other
K1C1N1
3
8
61.92
mp-1104735
-9.282206
-1.12326
2.915796
other
Ca2Ni10H1
13
8
167.59
mp-1331108
8.829399
14.777821
-0.660761
other
Mn12Zn6O24
42
8
474.35
mp-772492
10.516284
12.943398
-3.720201
other
Li3V12O29
44
8
529.96
mp-764936
9.777658
12.738076
-0.267808
other
Li8Fe5O10
23
8
257.96
mp-28456
11.204513
9.221195
0.322465
other
Sn15Os3O14
32
8
549.19
mp-1327109
12.734179
10.72579
1.884365
other
Ca8Ti16O32
56
8
696.94
mp-1225660
-8.096604
-5.075132
5.368048
other
Dy6Ga8Cu4
18
8
348.5
mp-36225
8.638246
1.192472
1.259511
other
Na3Zr1F7
11
8
148.45
mp-1225100
11.76948
12.089339
-0.374549
other
Fe7Si1O10
18
8
199.87
mp-1204130
9.23436
7.020322
-2.981402
other
Ca4Si6O22
32
8
480.72
mp-1379105
6.838734
13.483562
-1.869933
other
Zn6Co12O24
42
8
421.24
mp-553374
9.43618
8.528284
-0.376855
other
Cs4Sb2O5
11
8
299.65
mp-530245
10.235384
9.778568
3.412011
other
Tm16Ti8O40
64
8
838.66
mp-1185675
-6.135912
-8.496384
5.697178
other
Mg16Al12Hg1
29
8
584.29
mp-1228509
-6.212029
-6.831641
3.07291
other
Ba2In3Au1
6
8
192.43
mp-1351134
12.868104
10.948013
1.778988
other
Ti16Zn8O32
56
8
629.17
mp-1219530
-6.317192
-3.424207
0.798944
other
Sb28Mo9Ru3
40
8
873
mp-1223551
8.385146
1.130974
1.978602
other
K3La3F12
18
8
276.43
mp-755205
1.757544
1.673652
2.767622
other
Zr8N8O4
20
8
245.69
mp-2217117
12.805658
12.859651
-0.967377
other
Mg1V3O6
10
8
114.3
mp-1235427
9.942048
12.552467
-4.163172
other
Li1V6O15
22
8
287.58
mp-1219348
-7.734258
0.945958
5.081887
other
Sm4Cr3Fe31
38
8
512.22
mp-852009
11.032055
11.691617
2.579623
other
Nb4Al4O16
24
8
293.75
mp-1041061
8.694436
14.447267
-0.18219
other
Ca6Mn12O24
42
8
540.29
mp-777378
12.822999
-1.16853
0.791195
other
Mn6O5F7
18
8
216.08
mp-1185672
-6.037589
-8.361963
5.706868
other
Mg16Al12H1
29
8
577.26
mp-1403300
5.940897
12.33509
-1.35289
other
Ca1Ni4O8
13
8
129.62
mp-774805
10.867422
11.443075
0.254324
other
Na6Mn7O10
23
8
327.44
mp-2411688
10.207856
12.881624
-0.373941
other
Li1Fe2O3
6
8
60.74
mp-779590
11.343301
7.284685
0.667741
other
La18P6O42
66
8
1,078.82
mp-1045565
8.471257
14.765774
-1.387328
other
Mn4Zn1O8
13
8
153.74
mp-1327780
12.813811
10.180829
0.321449
other
Zn8W16O32
56
8
721.75
mp-34579
8.651322
1.175713
1.345691
other
Na3Hf1F7
11
8
146.74
mp-1223962
-2.689411
-2.697775
-5.726493
original
Ho4Mg1S7
12
8
264.03
mp-675755
8.685101
11.845531
-0.179501
other
Ti1Cu3O4
8
8
104.12
mp-777918
10.265871
11.841082
-0.931269
other
Cr3Sb5O16
24
8
325.09
mp-675768
10.193567
10.140796
3.375413
other
Dy14Ti10O41
65
8
813.77
mp-27615
14.10538
7.153056
-5.901762
other
U2P8O24
34
8
468.91
mp-630927
-0.112234
1.416033
-4.292034
other
Pb4Se1Br6
11
8
359.35
mp-1216101
-2.627095
-2.771371
-5.160256
other
Y4U1S7
12
8
275
mp-764460
10.120123
12.800942
-0.348121
other
Na5Fe11O16
32
8
346.35
mp-1220798
-3.934124
-1.614784
-5.6356
other
Na6Cd7S10
23
8
564.05
mp-1219366
15.391074
5.778088
0.162986
other
Si12C1O24
37
8
638.6
mp-1046232
7.640282
8.863802
-0.853248
other
Mg1Bi4O8
13
8
244.96
mp-1217679
-7.755126
1.027211
5.077073
other
Tb3Sm1Fe34
38
8
519.52
mp-1097718
12.662439
10.847056
-0.910164
other
Na4Mo4O10
18
8
245.35
mp-1217145
-5.719091
-1.392289
2.56437
other
Ti2As4W3
9
8
156.14
mp-38090
8.677902
13.152904
-1.227493
other
Fe12Cu6O24
42
8
461.85