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-1173761
9.628072
8.628482
3.039252
other
Na24Ce12O36
72
15
1,058.01
mp-1246637
2.043105
1.950246
1.73216
other
Y4Zn6N8
18
15
264.24
mp-673833
-5.132983
-4.851404
0.501444
other
Li14V2As8
24
15
426.42
mp-1245478
0.114192
2.524754
2.01007
other
Cr4Fe8N12
24
15
217.34
mp-28371
9.696667
8.839598
0.479486
other
K4Zn6O8
18
15
261.75
mp-1176630
10.461498
0.93857
1.680436
other
Li4Mn4F12
20
15
252.16
mp-779085
10.419967
0.840328
1.720033
other
Li6Mn12F30
48
15
680.7
mp-14500
-6.081111
-3.070248
0.634405
other
Sr2As12Pt8
22
15
435.67
mp-1209470
10.662296
10.564257
0.710285
other
Pr8W4O24
36
15
513.91
mp-569442
1.624942
2.679834
-5.432531
other
Rb2Au2Cl8
12
15
356.49
mp-1078280
-7.973895
-5.625905
3.448552
other
Ca4Ga2Pd4
10
15
214.19
mp-1120726
-1.220973
2.740823
-2.786921
other
Rb6Bi4I18
28
15
1,323.75
mp-680410
-3.443975
-0.713937
-4.824944
other
K12Nb8S44
64
15
1,811.36
mp-31122
10.57811
10.638324
0.41494
other
Er8Mo4O24
36
15
444.57
mp-18302
-4.749123
-1.830485
1.060091
other
Mn4Mo2P24
30
15
432.89
mp-1303707
6.888836
13.657777
-1.71274
other
Mg2Co4O8
14
15
148.86
mp-510274
-5.937997
-2.306589
5.549656
other
Zr8Si16Ru12
36
15
534.6
mp-505113
8.972067
2.055402
1.293835
other
Ti2Sn12F32
46
15
754.06
mp-9843
-3.319587
-4.371182
0.718874
other
Sr6Al4P8
18
15
449.1
mp-1245697
2.282485
2.362202
1.458844
other
Cd10Si4N12
26
15
388.84
mp-28971
12.468755
6.42152
-0.610142
other
Rb8Si8O20
36
15
631.45
mp-3928
13.312994
5.452359
-6.674703
other
Na10P6O20
36
15
456.76
mp-554185
13.797549
5.496389
-6.50704
other
Al16P16O64
96
15
2,236.49
mp-559809
8.249044
10.030854
-0.100156
other
Rb8Fe4O10
22
15
440.75
mp-752605
8.936505
0.833122
-0.236365
other
Li4Ag4F12
20
15
279.29
mp-1193779
7.295216
7.750298
-3.645413
other
Ca2B4O20
26
15
346.07
mp-1246980
1.956286
1.81019
1.552833
other
Sr6Sc4N8
18
15
330.28
mp-541790
12.666716
7.537901
-6.990956
other
Co4P8O24
36
15
443.13
mp-753266
7.781037
4.998362
-6.101807
other
Co4C4O14
22
15
330.09
mp-1190986
-4.605804
1.013587
3.370825
other
Nd4Re6B12
22
15
276.6
mp-14858
-3.273964
0.583765
-3.973109
other
Rb8Tc12S26
46
15
1,143.05
mp-1213024
-8.034578
-3.56767
2.757969
other
Er4Ge6Pt18
28
15
477.08
mp-1307896
12.758266
13.190355
-0.808524
other
Li6V8O16
30
15
306.03
mp-1246768
2.451963
2.308468
1.378366
other
Sn10Ge4N12
26
15
471.61
mp-1201610
11.383931
10.684947
0.902186
other
Y8V4O20
32
15
472.64
mp-768543
8.760154
5.92712
-6.22592
other
Mn4S6O24
34
15
437.49
mp-754772
14.517452
7.664799
-5.749404
other
Cr4P8O24
36
15
451.36
mp-753026
6.384685
13.401467
-2.026175
other
Zn4Co4O12
20
15
207.11
mp-755622
10.216293
12.177615
-4.002207
other
V4Co2O12
18
15
231.78
mp-28052
6.50202
0.300093
-3.428247
other
B72H88C16
176
15
1,738.41
mp-1247347
1.684436
1.805722
1.542977
other
Sr10Ti4N12
26
15
483.25
mp-1195016
10.307969
9.204578
-2.035704
other
Ba4Te16O36
56
15
996.89
mp-1245621
0.487503
2.742915
1.716743
other
Fe10Ge4N12
26
15
329.79
mp-1404142
9.416487
0.613556
-0.130288
other
Mg2Cu2F10
14
15
161.82
mp-836079
5.782749
3.424197
-4.741787
other
Mn4C20O20
44
15
776.92
mp-1046640
7.633871
9.973634
-2.370417
other
Ni10Te6O36
52
15
619.1
mp-768388
11.663004
7.511375
0.638013
other
Lu8Ge4O20
32
15
422.23
mp-781626
12.40868
11.84318
1.26822
other
Li4Nb2O6
12
15
115.17
mp-642651
-7.848708
-2.411732
5.054875
other
Yb8Ge16Ru12
36
15
616.35
mp-1237680
7.527208
9.338358
-3.785898
other
Li4Cr4O18
26
15
363.56
mp-1246390
1.771634
1.78047
1.199818
other
Ba10Sn4N12
26
15
602.26
mp-5511
11.487661
11.083528
-3.019633
other
Cu12Mo10O36
58
15
709.02
mp-697794
12.30994
7.684007
-7.650633
other
Mn4P6O20
30
15
488.86
mp-1200748
10.532433
10.700767
-3.836962
other
Cs4Mo14O44
62
15
1,021.76
mp-1247383
0.696885
2.164129
1.921021
other
Ba6Mo4N8
18
15
350.76
mp-1210327
11.395824
11.125695
-4.000886
other
Pr12Mo18O72
102
15
1,576.95
mp-1189997
6.622966
4.872066
-4.604156
other
Mn2C4O12
18
15
381.06
mp-540072
10.32542
7.884684
-6.702184
other
Fe2P8O24
34
15
461.14
mp-8966
-4.624112
-2.917726
-3.85484
other
K4Sn4Se10
18
15
551.97
mp-1222422
8.666567
1.430157
1.200995
other
Lu2Zr6F30
38
15
487.11
mp-554593
10.617813
10.420421
3.310404
other
Tb2Ta2O8
12
15
148.53
mp-1245457
0.723151
2.359253
2.076414
other
Cr10Ge4N12
26
15
281.79
mp-2506805
8.245891
17.013252
-0.101696
other
Li4Mn4O8
16
15
158.17
mp-782639
10.444061
10.726715
0.739849
other
Dy8W4O24
36
15
470.17
mp-1094107
-4.007054
-1.632382
-5.99159
other
Na8Zn8S12
28
15
566.95
mp-754365
7.768726
10.178066
-3.904587
other
Li4Cr4O14
22
15
280.57
mp-1199401
6.260313
4.979582
-4.649454
other
Nd8N24O72
104
15
1,467.37
mp-1101445
12.139834
12.449633
-0.514913
other
Nb2V2O8
12
15
127.17
mp-989473
6.995783
4.295054
-2.259775
other
B4C6N12
22
15
192.63
mp-29396
8.617186
9.741749
-0.274928
other
Cu4Pb2O4
10
15
149.82
mp-570542
0.795435
1.16323
-3.861315
other
Li2Tm4Cl10
16
15
350.82
mp-27545
11.264664
5.806942
-4.516231
other
V2H4O6
12
15
104.99
mp-755619
14.022867
7.261318
-5.052903
other
Sn4P4O14
22
15
321.95
mp-27187
8.949054
1.120522
1.420424
other
Be8Tl4F20
32
15
454.14
mp-1016190
8.250623
14.404363
-1.232775
other
K4Mn12O24
40
15
576.94
mp-565970
11.484645
11.015323
-2.220961
other
Ba2W2O8
12
15
210.17
mp-752753
9.73806
10.11239
-1.69449
other
Sb2O4F2
8
15
100.35
mp-558164
10.658884
9.883294
3.84866
other
Ca8Hf32O72
112
15
1,360.21
mp-554996
13.771427
4.151639
-2.327326
other
K10B38O62
110
15
1,328.91
mp-1289684
5.802573
10.079506
-1.888706
other
Na16Fe4O20
40
15
513.44
mp-1142713
10.927948
7.483117
-2.531997
other
Mn2Si4O12
18
15
203.29
mp-18269
13.94335
8.095906
-1.073653
other
Fe4Si4O12
20
15
233.01
mp-757495
12.478031
6.885175
-7.258413
other
Sn2P8O24
34
15
419.74
mp-4307
7.723109
10.483142
0.617049
other
Ba6Ir6O18
30
15
426.19
mp-25818
11.582839
8.199726
-7.481807
other
Cr4P6O22
32
15
378.13
mp-1246987
1.999405
2.396042
1.303512
other
Zr2Pb8N8
18
15
397.43
mp-676262
11.047704
11.517183
2.99621
other
Ta8Tl8O24
40
15
605.22
mp-28481
6.443117
6.051435
-3.670815
other
Ti2Cl8O32
42
15
598.31
mp-1198236
11.114013
12.528471
-3.444363
other
Na8V16O40
64
15
839.13
mp-777814
9.271934
9.061923
0.422727
other
Na12Sn4O14
30
15
410.85
mp-7293
-3.846795
-2.366067
-3.585332
other
Hg4P4Se12
20
15
536.7
mp-1029627
1.060694
2.454518
1.826944
other
Mg8Re4N12
24
15
311.45
mp-754796
9.758965
8.476378
3.168912
other
Na4Tm4O8
16
15
205.71
mp-757156
12.980617
6.857994
-6.73427
other
Sn2P8O24
34
15
474.2
mp-760778
8.95153
0.851581
-0.29673
original
Li4Ag2F10
16
15
200.68
mp-673702
9.666575
8.689493
3.194083
other
Na24Ce12O36
72
15
936.09
mp-1177528
12.137936
12.214025
1.853364
other
Li12Ti28O56
96
15
1,059.21
mp-16961
-4.701344
-3.026772
-3.891107
other
Na12Si4Se14
30
15
770.01
mp-756426
12.187982
10.66574
2.484575
other
Zr2Nb2O8
12
15
140.63
mp-10418
10.230394
9.281558
-0.388383
other
Rb2Sb2O4
8
15
167.91