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-605333
8.769374
10.501298
-0.312341
other
In8Cu8O20
36
13
444.83
mp-609151
10.731128
11.491947
-2.098072
other
Mg2W2O8
12
13
153.13
mp-760804
9.250074
0.61872
0.084991
other
Li4Ag2F8
14
13
174.07
mp-1284576
9.920503
13.957821
-0.96151
other
Li2Cr4O8
14
13
148.64
mp-8979
11.039511
11.361328
2.434578
other
Ta2In2O8
12
13
145.8
mp-567878
-0.297098
1.154683
-4.371558
other
Al4Tl4Br16
24
13
852.01
mp-29591
10.80984
9.340657
-0.682412
other
Sb6Cl2O8
16
13
290.69
mp-1204878
-4.379919
-1.121485
-3.090273
other
Nb20Se80I6
106
13
3,055.28
mp-5377
10.64585
10.589796
3.334741
other
Y2Ta2O8
12
13
147.45
mp-778364
10.329024
10.172292
1.536209
other
Na12Ti4O14
30
13
418.81
mp-1212524
8.502117
2.209121
-1.322266
other
In2H6F6
14
13
288.34
mp-12932
10.639286
10.402693
3.326786
other
Tb2Ta2O8
12
13
148.32
mp-573051
9.580867
10.377548
-3.423035
other
Re6O18F6
30
13
434.04
mp-32393
9.354196
7.792377
-5.8716
other
Ni4P10O32
46
13
640.17
mp-881272
13.719423
7.495098
-6.796117
other
Cr4P10O30
44
13
592.95
mp-12931
10.568212
10.547758
3.332629
other
Sm2Ta2O8
12
13
154.39
mp-554442
8.644802
1.433207
-0.423294
other
Li4Au4F16
24
13
336.08
mp-1041424
6.263961
9.040207
-1.179213
other
Zn2Bi8O18
28
13
417.52
mp-1101561
13.982341
7.517713
-6.638101
other
Cr4P10O30
44
13
573.42
mp-1041534
11.605883
11.237915
-2.441709
other
Mo2W4O16
22
13
284.26
mp-1190089
-0.671346
0.905123
-3.987085
other
Cs2Hf4Br18
24
13
852.05
mp-559337
-2.179748
-1.646587
-5.286123
other
Nd14S12Cl18
44
13
1,152.34
mp-1195746
12.865927
6.632372
-0.63759
other
Mg8Si8O24
40
13
436.53
mp-1180800
6.971684
6.520445
-4.021927
other
Na10As4O36
50
13
801.62
mp-1191759
7.027024
5.967215
-3.296286
other
Sc2Br6O14
22
13
344.69
mp-1181421
6.593468
5.930223
-3.627314
other
Er2Cl6O12
20
13
374.97
mp-1003437
8.386179
14.348728
-1.075802
other
K8Mn16O32
56
13
750.61
mp-1194942
13.877717
4.223979
-2.263578
other
Nd4B16O30
50
13
434.28
mp-1179957
6.497787
5.886813
-3.651584
other
Pr2Br6O12
20
13
490.16
mp-1205208
7.591165
9.036779
-3.668339
other
Al4Cr8O38
50
13
801.57
mp-1342975
6.484195
12.449667
-1.15951
other
Ca4Ni8O16
28
13
312.19
mp-1188613
8.458736
13.666736
-0.789705
other
Mn4Pb4O12
20
13
317.29
mp-1196629
7.396533
9.283545
-3.766362
other
Cr8Fe4O38
50
13
843.08
mp-1179540
6.575064
5.96068
-3.730217
other
Sc2Br6O14
22
13
436.15
mp-1041693
10.226015
11.250439
-3.183394
other
Cr2W4O16
22
13
268.98
mp-774702
6.441801
9.728112
-1.349877
other
Li6Bi2O8
16
13
163.15
mp-2411702
10.201652
0.499635
0.368419
other
Li2Fe2F8
12
13
149.86
mp-1196002
12.874866
6.634019
-0.637705
other
Mg16Si16O48
80
13
876.37
mp-1178724
8.225414
7.211826
-4.920593
other
Zn8P4O26
38
13
541.28
mp-1047752
10.64957
11.112234
-2.874675
other
Sb2W4O16
22
13
294.49
mp-1103369
10.162544
11.447425
-2.732078
other
Cu2W2O8
12
13
134.74
mp-1274032
6.397489
13.825672
-2.144572
other
Na2Co6O12
20
13
235.48
mp-1180175
8.060184
7.288888
-4.561065
other
Np8S4O40
52
13
1,138.59
mp-1348280
6.93855
11.043242
-1.623984
other
Ca2Ni8O18
28
13
406.57
mp-1210487
6.776064
5.940717
-3.430799
other
Nd2Br6O12
20
13
420.68
mp-1041815
10.631716
9.244941
-0.0144
other
Zn4Sn8O16
28
13
487.87
mp-1095420
10.655556
10.938684
-3.423822
other
Zn2Mo2O8
12
13
130.78
mp-770559
10.320997
10.807227
0.980924
other
Dy8W4O24
36
13
447.24
mp-628726
1.6133
2.231486
-5.135484
other
Sr2Al4Cl16
22
13
648.18
mp-3941
8.717947
1.206157
1.710209
original
Li2Y2F8
12
13
139.75
mp-755673
12.241799
10.667809
-0.259157
other
Dy2W2O8
12
13
146.01
mp-777448
10.023732
2.622228
2.143096
other
Li4V2F8
14
13
163.33
mp-1245380
1.166876
2.093301
1.450433
other
Ba16Ir12N28
56
13
1,084.69
mp-1041481
8.433807
8.20116
-3.212355
other
Cu6Te12O42
60
13
1,128.67
mp-29083
1.203376
1.829385
-5.285788
other
Na2Er2Cl8
12
13
322
mp-19407
11.47511
11.815741
-1.848133
other
Mn2W2O8
12
13
137.54
mp-754961
11.383244
11.124613
-2.786302
other
Hg4W4O14
22
13
333.07
mp-19019
10.382461
10.915623
-3.466107
other
Ni2Mo2O8
12
13
125.47
mp-1210120
1.628424
2.567331
-5.202569
other
Na2Yb2Cl8
12
13
357.3
mp-1281202
7.268582
11.873592
-1.298843
other
Ni4Pt4O8
16
13
180.91
mp-1314196
5.6744
11.210354
-1.699988
other
Na8Fe4O12
24
13
271.98
mp-30309
8.500147
1.680448
-0.610525
other
Y4Au10F42
56
13
843.36
mp-776616
9.889389
2.64784
1.44615
other
Li2V4F14
20
13
292.31
mp-1102025
8.818501
7.824006
-4.633491
other
P2Pb2O8
12
13
168.05
mp-777418
10.392645
1.592182
2.157386
other
Li4Fe2F8
14
13
159.31
mp-1208589
9.120371
13.059872
0.226511
other
Ta4Mn4O16
24
13
262.61
mp-504450
8.922094
1.135873
1.425956
other
Be8Tl4F20
32
13
494.19
mp-1193011
8.715488
2.709156
-0.750188
other
W4O6F18
28
13
493.86
mp-1178380
10.526672
10.681353
3.279451
other
Dy2Nb2O8
12
13
147.82
mp-1213752
11.616609
7.08155
-5.332636
other
Co2P4O8
14
13
271.09
mp-553961
10.741258
10.783904
3.142978
other
Sc2Nb2O8
12
13
142.22
mp-771966
10.377073
10.794411
1.092982
other
Sm8W4O24
36
13
475.51
mp-1208200
6.528811
5.983385
-3.786159
other
Tm2Cl6O12
20
13
397.62
mp-27500
9.209248
4.759295
-5.601915
other
Na4S4O8
16
13
256.94
mp-1203984
11.549312
5.575993
-2.881294
other
Sm12B52O116
180
13
2,102.72
mp-764934
5.857313
12.617616
-1.357091
other
Na4Ni8O16
28
13
316.59
mp-757162
9.519627
8.358422
-0.633782
other
Bi6O8F2
16
13
302.93
mp-1104211
6.702717
6.300804
-3.717863
other
Ba2Pd2O10
14
13
230
mp-674367
11.402008
10.748441
-0.128016
other
Re12Pb10O38
60
13
831.13
mp-755143
5.507745
10.384092
-1.961826
other
Na12Fe4O16
32
13
345.23
mp-28305
12.941694
10.977731
-0.679606
other
K4Mo16O32
52
13
628.17
mp-754361
1.697961
1.794772
2.99652
other
Hf8N8O4
20
13
252.34
mp-1041577
10.406184
11.060443
-2.952375
other
Sn2W4O16
22
13
287.28
mp-37692
7.721709
13.268299
-0.758907
other
Li6Ru2O8
16
13
140.61
mp-1271783
8.754829
3.61426
-7.31615
other
Mn4C4O12
20
13
222.96
mp-7462
9.409896
7.356266
-3.746806
other
Hg4Se2O8
14
13
275.99
mp-18875
10.52345
11.70083
-2.102505
other
Mg2W2O8
12
13
131.64
mp-1041860
11.158499
10.934628
-2.713393
other
Te2W4O16
22
13
307.74
mp-1214853
-0.404767
1.197542
-4.344019
other
Al4In4Br16
24
13
850.23
mp-558294
10.169618
12.216689
1.407212
other
Li18Ta6O24
48
13
440.54
mp-1373625
8.932555
14.884901
-0.38244
other
Mg4Mn8O16
28
13
319.31
mp-779050
11.55461
12.65503
-3.161174
other
Li18V28O70
116
13
1,428.66
mp-667400
5.780307
3.380776
-4.65621
other
Ir24C64O64
152
13
2,497.82
mp-1041732
10.973333
10.923955
-3.933207
other
Cu6Mo12O42
60
13
1,142.63
mp-540924
-1.458071
1.874088
-2.871079
other
Nb4Te4I12
20
13
766.62
mp-754614
10.535158
10.47457
3.194109
other
Lu2Nb2O8
12
13
140.36
mp-1211750
-0.32906
1.078465
-4.447536
other
K4Al4Br16
24
13
842.03
mp-1042304
9.294653
10.759157
-3.282975
other
Ni2W4O16
22
13
283.76
mp-1041486
10.390815
11.244394
-3.003691
other
Ti2W4O16
22
13
274.4
mp-1176780
-5.64085
-0.624978
-4.330295
other
Li2Co2S4
8
13
114.38