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-1103190
11.223835
11.284496
-2.382737
other
Ca2W2O8
12
15
163
mp-1246057
0.913317
2.120064
1.823609
other
Sr6Re4N8
18
15
297.53
mp-607806
-3.696067
-4.120626
-4.035242
other
Ho12Se12N4
28
15
669.18
mp-1106035
7.689332
6.689411
-4.838444
other
Ca2S2O12
16
15
231.94
mp-1178815
10.686715
12.208335
-3.653908
other
V4Ag4O12
20
15
287.63
mp-985477
-3.961428
-1.54476
-5.836354
other
Al8Tl8S16
32
15
800.51
mp-556439
6.219164
3.896642
-3.95802
other
S6N4O4
14
15
309.28
mp-1208662
-1.347925
2.065689
-2.085176
other
Sr2U2I12
16
15
796.3
mp-1100961
-4.861389
-3.673918
0.972645
other
U10P6Se4
20
15
476.15
mp-19175
9.220484
7.023073
-3.543075
other
Mn4Se8O20
32
15
448.36
mp-571181
4.915481
3.212054
-3.448806
other
Rb2Au2N24
28
15
490.51
mp-1182309
7.177989
6.09623
-4.180709
other
Ca2B4O20
26
15
407.19
mp-1319322
7.347997
12.622433
-2.313641
other
Co6Te2O16
24
15
309.88
mp-505799
12.078074
6.723131
-4.554599
other
P4Pb6O16
26
15
393.93
mp-1250558
11.717653
7.496705
-2.739197
other
Si8Te4O28
40
15
607.46
mp-1401720
9.557035
2.20387
1.541374
other
Ca2V2F10
14
15
203.62
mp-777801
10.241988
0.51628
0.374893
other
Li2Fe2F8
12
15
151.35
mp-697806
8.279535
7.918075
-4.478195
other
Ni6P8O32
46
15
638.76
mp-972384
8.558177
8.100127
-4.498419
other
V4Se4O22
30
15
387.42
mp-1199587
8.14387
9.918229
-2.998166
other
Yb8V4O20
32
15
467.23
mp-11703
-3.592643
-1.513941
-5.232896
other
K2Sb2S4
8
15
238.99
mp-570123
1.378979
2.765666
-6.021944
other
Cs12Bi4Cl24
40
15
1,466.55
mp-17598
10.211916
9.503307
-2.168259
other
Cu4Te6O16
26
15
394.45
mp-556472
8.630695
1.150664
1.750861
other
Li2Y2F8
12
15
149.71
mp-755933
-4.916663
-0.871767
-5.277425
other
Li4Fe6S8
18
15
321.04
mp-1246891
0.519946
2.519758
1.725772
other
Co8Ru4N12
24
15
240.7
mp-16977
-4.708465
-1.876039
1.173688
other
Ti2Mn4P24
30
15
448.63
mp-1182422
7.254799
6.60428
-3.30414
other
Ca4I8O26
38
15
693.76
mp-1103909
8.135814
7.576776
-4.146225
other
Mn2Se2O10
14
15
188.84
mp-1281584
13.759178
8.873185
-1.185131
other
V4Si4O14
22
15
246.12
mp-1194365
13.899615
4.184776
-2.179315
other
Th2B8O16
26
15
225.25
mp-29199
1.489956
1.970535
1.032284
other
Ba6Cu6N6
18
15
376.6
mp-1245415
0.625856
2.504909
1.866198
other
Mn8Sb4N12
24
15
297.47
mp-540818
-4.637143
-2.861068
-3.752189
other
Tl8Ge8Se20
36
15
1,090.16
mp-19157
8.078894
11.543428
2.193602
other
La2Mn2O6
10
15
118.73
mp-625888
8.117188
5.241669
-4.041049
other
Ba2H8O12
22
15
279.38
mp-697730
9.825606
8.325487
-6.725309
other
Mn6P8O32
46
15
653.67
mp-1246238
0.788202
2.551326
1.707364
other
Co6Bi4N8
18
15
257.85
mp-755948
10.156879
9.734329
3.491724
other
Tm4Ti2O10
16
15
208.53
mp-29538
1.08422
1.645054
-5.083907
other
Ba2Gd2Cl10
14
15
368.32
mp-1410431
9.372261
0.942768
-0.44794
other
Zn2Ni2F10
14
15
170.74
mp-641987
-3.406308
-1.621044
-5.372199
other
Sb16Pb14S38
68
15
1,826.33
mp-12307
-3.656605
-1.479306
-5.611963
other
Tl8Ge8S20
36
15
981.69
mp-768484
9.984135
4.75536
-6.829939
other
Sb4S6O24
34
15
535.72
mp-1178466
10.042904
2.642515
2.209574
other
Fe12O6F12
30
15
366.39
mp-542012
-3.451883
-0.969493
-5.079473
other
Rb8Hf6S28
42
15
1,141.4
mp-1046192
9.705599
10.272564
-1.317262
other
Sn10Te6O36
52
15
778.18
mp-36966
-3.984404
-4.25364
-3.719268
other
Na2Sm4Se6
12
15
307.83
mp-867966
9.572739
7.7233
-1.748921
other
Eu8Si4O20
32
15
470.55
mp-1046949
11.129546
11.088558
-2.377602
other
Nb4W2O16
22
15
325.35
mp-19135
12.252166
7.525954
-7.035855
other
Ni4P8O24
36
15
411.38
mp-1245733
2.340435
1.94836
1.960815
other
Sc8Ga4N12
24
15
297.18
mp-770592
12.49293
7.913707
-7.972424
other
Mn8P4O20
32
15
355.81
mp-1197040
8.332638
7.643345
-4.652154
other
Cd10P8O40
58
15
816.35
mp-1245845
0.527059
2.333738
2.157869
other
Ga4W8N12
24
15
324.65
mp-4649
9.269938
7.395155
-3.35298
other
Pd2Se4O10
16
15
238.7
mp-752896
8.05488
4.489385
-6.459832
other
Fe4C4O14
22
15
341.07
mp-1246195
0.803375
2.285341
2.219062
other
Cr10Si4N12
26
15
288.58
mp-684020
-1.034957
1.051797
-1.759403
other
Ce24C12I34
70
15
2,401.42
mp-1208107
-8.056878
-3.613611
2.754197
other
Tm4Ge6Pt18
28
15
476.03
mp-755829
14.000399
6.126378
-2.419913
other
B4Sb4O12
20
15
313.28
mp-1246236
1.407719
1.82996
2.121355
other
Ca6Ta4N8
18
15
316.92
mp-1191080
7.433292
8.92263
-3.806433
other
Cr4N4O14
22
15
431.62
mp-644431
-3.344009
-3.987108
0.521909
other
Cd4P6Cl2
12
15
271.79
mp-1176638
10.592965
0.058345
0.274134
other
Li2Mn2F8
12
15
158.1
mp-1245432
1.213657
1.974519
1.446423
other
Ca10Rh4N12
26
15
404.88
mp-542550
-4.489087
-3.103725
-3.632794
other
Cs8Si8Se20
36
15
1,307.82
mp-765195
12.18737
10.821316
-1.600645
other
W2O4F2
8
15
125.94
mp-1209672
-3.135243
0.50575
-3.488688
other
Re12Pb8Se24
44
15
1,085.44
mp-757391
9.939846
13.966306
-0.957591
other
Li2Cr4O8
14
15
149.27
mp-1203917
1.339677
2.555707
-6.143581
other
Cs12Sc4Cl24
40
15
1,368.37
mp-1245846
0.81182
2.143801
2.03979
other
Sr6Mo4N8
18
15
300.48
mp-778675
11.030212
11.157214
-2.694486
other
Ce2W4O16
22
15
336.84
mp-1247140
1.351957
1.889144
1.464833
other
Sr10Ru4N12
26
15
470.49
mp-1199743
-6.080863
-3.577708
-1.931198
other
Cs8In8Te16
32
15
1,426.58
mp-3502
10.442386
9.2678
-1.961608
other
Zn4Te6O16
26
15
381.54
mp-1207937
-2.686258
0.652136
2.679997
other
Y40B28C40
108
15
1,503.51
mp-760170
11.132406
9.169003
0.421259
other
Sn26O20F12
58
15
1,241.36
mp-1394906
9.866926
2.229559
1.256326
other
V2Zn2F10
14
15
186.36
mp-1246162
1.429892
1.948795
1.308525
other
Sr6Ni4N8
18
15
272.76
mp-20816
-6.828883
-4.766299
5.777496
other
Gd4Al2Ge4
10
15
221.07
mp-1246780
1.662839
1.79974
1.321675
other
Ba10Zr4N12
26
15
636.05
mp-26356
11.54364
7.820216
-7.246044
other
Cr2P8O24
34
15
492.55
mp-1180725
6.572454
11.354086
1.159291
other
La2Co2O6
10
15
113.6
mp-866028
-8.03675
-3.024228
4.647189
other
Dy4Ge10Rh6
20
15
352.45
mp-776116
8.480039
11.096593
-1.735079
other
Al4Pd4O12
20
15
229.89
mp-779622
12.996727
5.818808
-6.366829
other
Be12P12O42
66
15
679.84
mp-731867
9.22052
7.961319
-2.795968
other
Li4Ge6O16
26
15
297.14
mp-17060
-4.743545
-3.116662
-4.020197
other
Na8Al8Se16
32
15
793.4
mp-27576
11.847375
7.384431
0.552192
other
Sc12Ge6O30
48
15
612.95
mp-1194874
13.827132
4.211254
-2.470453
other
Tl4B12O20
36
15
391.19
mp-9751
12.264612
7.201094
-0.405277
other
Al4Ge4O14
22
15
252.26
mp-1394801
10.288938
0.378862
0.280255
other
Mn2Zn2F10
14
15
190.51
mp-1291543
6.295796
11.762004
0.725842
other
Ca6Co4O12
22
15
245.46
mp-558751
9.581717
8.590027
-0.268828
other
Ca8Bi16O32
56
15
985.17
mp-29745
-5.06354
-2.863976
-3.863096
other
Na8Mn8Se12
28
15
695.33
mp-1046983
8.802591
10.788568
-3.179839
other
Nb4Cr2O16
22
15
304.78
mp-1214309
6.655985
4.529508
-4.362992
other
C16N16O32
64
15
773.6
mp-1201046
7.448533
6.606363
-3.984334
other
Se6N4O24
34
15
536.77
mp-989619
1.049502
2.417226
1.707107
other
La4Tc4N12
20
15
322.07