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-1105197
8.640269
1.0644
1.756066
other
Cs4Pa2F14
20
15
366.49
mp-753793
8.478492
1.300961
1.891728
other
Ba4Y2F14
20
15
315.55
mp-1101362
-1.190328
2.041971
-1.949422
other
Sr2Ca4I12
18
15
749.37
mp-1246118
1.825832
1.856291
1.501909
other
Ca10Zr4N12
26
15
480.2
mp-28900
-4.892297
-4.821249
0.274763
other
Cd4As6Br2
12
15
314.51
mp-14501
-5.965395
-3.160467
0.568481
other
Ba2As12Pt8
22
15
444.42
mp-724868
9.760045
7.811234
-5.279159
other
V2P4O12
18
15
341.16
mp-19073
8.506527
10.785715
1.648575
other
La4Ni4O10
18
15
235.8
mp-1029868
2.106598
1.974349
1.476749
other
Sr10Si4N12
26
15
433.54
mp-1246904
0.345923
2.37109
2.114937
other
Mn6Cr4N8
18
15
183.12
mp-698101
10.369407
4.248837
-4.299326
other
U2H16O16
34
15
322.15
mp-1172399
10.390534
7.499939
-2.092216
other
Si4Bi2O12
18
15
252.4
mp-554190
10.597541
9.978711
3.935234
other
Ca8Zr32O72
112
15
1,413.39
mp-1211059
-0.145634
0.74639
-3.26354
other
Li2Sm4Br10
16
15
445.23
mp-1245673
0.213195
2.473618
1.927894
other
Mn6Fe4N8
18
15
175.89
mp-3707
11.819071
7.409475
-0.932809
other
Ca2Ge4O10
16
15
183.18
mp-19260
10.606123
11.998742
-1.497101
other
Li4W2O8
14
15
144.14
mp-1104530
8.097831
6.936859
-5.34395
other
Fe2S2O10
14
15
172.81
mp-769207
8.984585
6.879644
-4.112917
other
Y4Se6O24
34
15
447.95
mp-1042873
11.512423
7.536695
-1.223399
other
Sn2Ge4O12
18
15
251.95
mp-1199667
-2.982599
0.816458
-3.922739
other
Tl8Re12S24
44
15
998.69
mp-989606
1.013642
2.395947
1.724917
other
Ca4Re4N12
20
15
312.53
mp-759949
9.750631
1.14257
0.995709
other
Li8Cr8F32
48
15
580.85
mp-1247520
0.791792
2.184572
1.831565
other
Ca6Re4N8
18
15
264.23
mp-1246945
1.387439
1.866365
2.046286
other
Sr6Nb4N8
18
15
409.58
mp-1193907
7.70522
10.545934
0.449665
other
Sr6Ir6O18
30
15
384.28
mp-757176
8.252583
1.097701
1.748489
other
Ba2Y2F10
14
15
307.03
mp-772771
13.614854
4.464006
-1.664898
other
La8B12O30
50
15
545.51
mp-541354
-3.505172
0.358288
-3.471326
other
K8Tc12Se24
44
15
1,084.16
mp-686040
11.378644
8.743239
2.12694
other
Mg2U4O12
18
15
219.99
mp-23409
-1.01959
0.985594
-1.640993
other
Pr24C12I34
70
15
2,482.8
mp-754408
-1.244439
1.923743
-1.577366
other
Ba4Sr2I12
18
15
787.35
mp-1048896
14.105283
9.055414
-4.329046
other
Mo8P8O32
48
15
702.11
mp-29343
9.406759
0.652097
-0.129918
other
Na2Cu6F14
22
15
258.38
mp-1247345
1.117277
2.093412
1.566677
other
Ba6Fe4N8
18
15
308.92
mp-754236
11.179338
7.768478
1.050434
other
Y4Ge2O10
16
15
206.5
mp-26742
10.240153
7.781106
-6.481593
other
Cu8P6O24
38
15
461.23
mp-543039
10.219177
8.999112
-1.986789
other
Te12Pb12O36
60
15
1,055.47
mp-1245554
2.844943
2.339197
1.054081
other
Ga4B8N12
24
15
243.1
mp-997108
7.228535
9.55157
-1.435475
other
Rb2Ag2O4
8
15
175.28
mp-1193056
11.144749
10.812976
-3.934663
other
Cs4Mo6O20
30
15
581.09
mp-3144
10.499614
10.487023
3.273182
other
Ho2Nb2O8
12
15
147.11
mp-30100
-4.247696
-2.605965
-3.774001
other
Li4B4Se10
18
15
333.41
mp-1211161
-8.030514
-3.576819
2.735644
other
Lu4Ge6Pt18
28
15
472.95
mp-1193194
-4.62964
-3.004493
-3.55322
other
Cs12Ge4Se12
28
15
1,086.89
mp-3010
8.160539
1.070468
0.731853
other
Rb4Tb2F12
18
15
306.93
mp-753863
-3.893137
-0.539901
-5.023829
other
Li4Ti4S10
18
15
355.11
mp-680384
10.247717
8.167293
1.536131
other
Sr40Ga24O76
140
15
2,235.08
mp-1202822
8.095163
7.841676
-4.166851
other
Cd10As8O40
58
15
886.41
mp-28875
-2.866194
-3.330157
0.064667
other
Hg4P6Cl2
12
15
268.26
mp-1101657
10.44252
12.242499
-3.80121
other
Na4V4O12
20
15
316.51
mp-753997
10.262974
0.293709
0.71184
other
Li8Mn2F14
24
15
294.75
mp-771338
13.511132
5.50086
-6.953404
other
La4P8O26
38
15
545.62
mp-15898
-5.291353
-3.061641
5.849677
other
Dy4Co6Si10
20
15
290.98
mp-558802
11.265889
10.879472
-3.527703
other
Hg4Mo2O8
14
15
230.6
mp-1078814
-1.445445
0.356555
0.702153
other
Ce4C4Cl2
10
15
196.11
mp-606510
-1.257592
2.200562
-2.74863
other
Cs2Ta2I12
16
15
693.12
mp-1209449
1.262985
2.291381
-5.796485
other
Rb12Lu4Cl24
40
15
1,262.66
mp-1196257
6.378612
0.331346
-3.474313
other
Ca2B24H24
50
15
465.73
mp-768383
5.878769
8.849772
-1.146753
other
Sm2Bi2O8
12
15
166.51
mp-1245627
2.220545
1.869268
1.788284
other
Y8Ga4N12
24
15
333.93
mp-25197
9.513475
11.021772
-3.107644
other
Fe2W4O16
22
15
284.47
mp-725152
7.705015
6.258482
-4.952895
other
Fe2C4O12
18
15
255.71
mp-616190
-3.053075
0.597359
-3.495687
other
Tl8Re12Se24
44
15
1,085.94
mp-756509
-1.257496
1.928858
-1.686077
other
Ba2La2I10
14
15
808.05
mp-26138
10.146719
8.338726
-7.01745
other
Mn4P8O28
40
15
469.83
mp-1178356
10.25452
9.699015
3.425826
other
Er4Ti2O10
16
15
209.84
mp-754274
10.831123
12.454366
-3.860685
other
Mn2V4O12
18
15
247.67
mp-754116
-0.289088
0.776978
-3.836927
other
Ba2Y4Br16
22
15
966.81
mp-570655
-2.690054
0.73983
2.641821
other
Tb40B28C40
108
15
1,518.52
mp-1202899
5.842203
5.238118
-4.242187
other
Pt4N24O24
52
15
922.26
mp-680284
-3.35946
-0.761556
-4.806554
other
Rb12Ta8S50
70
15
2,053.85
mp-510342
10.501102
9.347195
-1.947886
other
Dy4Te8O22
34
15
488.99
mp-1247436
3.540247
1.936438
-0.886332
other
Ca6C4N8
18
15
263.52
mp-779522
13.509347
5.640487
-6.862727
other
Ho4P8O26
38
15
483.85
mp-540820
5.739618
3.310476
-4.598647
other
Re4C20O20
44
15
824.9
mp-18321
9.966578
9.272449
-2.230275
other
Hg8Te8O28
44
15
632.72
mp-1247562
0.817553
2.24517
2.039709
other
Ca6W4N8
18
15
267.59
mp-1391681
7.623726
13.602552
-1.691304
other
Al2Co4O8
14
15
131.63
mp-1197035
5.839834
5.198553
-4.222867
other
Pd4N24O24
52
15
907.77
mp-574112
1.583173
2.205076
-4.971212
other
Ti2Al4Cl16
22
15
665.49
mp-756332
11.9375
12.205913
0.311498
other
Li2Cr4O6
12
15
117.1
mp-28304
-4.770198
-5.195167
0.476653
other
Ca6Al4As8
18
15
455.08
mp-755770
-1.20161
1.853922
-1.576744
other
Ba4La2I14
20
15
844.19
mp-28952
9.196123
5.252061
-5.928902
original
Pd2S2O8
12
15
165.55
mp-27443
10.170111
9.686604
1.70796
other
Ba8Mn4O12
24
15
436.21
mp-1245694
0.523648
2.601892
1.992551
other
Cr4Ni6N8
18
15
171.25
mp-21633
10.218799
2.07063
1.736458
other
Li18V6F36
60
15
603.15
mp-1246198
2.438349
2.236573
1.542035
other
Al4Cd6N8
18
15
246.41
mp-30292
-2.941582
-3.495892
-4.672773
other
Nd8Se6N4
18
15
434.42
mp-865274
-3.690507
-1.514487
-5.688643
other
Tl8In8S16
32
15
911.62
mp-1392222
9.446108
0.83561
-0.401718
other
Zn2Co2F10
14
15
180.39
mp-30051
2.597227
2.600038
-4.512592
other
Si12C4Cl28
44
15
1,301.96
mp-672950
13.456302
7.248281
-6.346641
other
Sb2P8O24
34
15
448.64
mp-27577
-4.888601
-4.817683
0.237548
other
Cd4As6I2
12
15
327.31
mp-29880
1.059918
1.713593
-5.040293
other
Sm4S2Cl8
14
15
341.25
mp-772172
14.428632
7.609462
-5.800962
other
Cr4P8O24
36
15
455.42
mp-728664
8.79288
6.928988
-3.63558
other
Na8Se8O24
40
15
800.8
mp-755592
7.136577
8.470796
-0.796171
other
K8Tb4O12
24
15
423.68
mp-1197970
-0.315332
1.124824
-4.742027
other
Cs12La4Br24
40
15
1,724.71