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-1205972
8.905395
1.886935
0.732589
other
Mn1Zn3F6
10
2
403.22
mp-756721
9.575915
8.602194
-0.531273
other
Na2Bi10O16
28
2
494.45
mp-1224082
-4.819595
-1.488142
-2.905601
other
K1Ti12Se16
29
2
611.97
mp-756711
9.810358
12.449906
-0.58083
other
Li8Cr2O8
18
2
174.1
mp-1078473
8.754199
3.613792
-7.312854
other
Mn4C4O12
20
2
223.2
mp-864891
13.231375
5.896385
-6.661204
other
Na6P6O18
30
2
372.32
mp-760791
9.566411
0.569642
-0.396144
other
Li8Cu10F34
52
2
629.19
mp-1238807
-5.348762
-0.038154
-6.049361
other
Cr8Hg4S16
28
2
619.05
mp-29419
-0.628848
1.278906
-3.835762
other
Hf1Te4Cl6
11
2
358.12
mp-1406883
12.744528
9.992832
1.631786
other
Mg4Ti4O8
16
2
185.62
mp-26548
9.479964
8.038664
-5.904014
other
Cr4P6O24
34
2
442.46
mp-1245810
1.120414
2.148283
1.506856
other
Ba6Co6N10
22
2
375.56
mp-648992
10.553915
10.715881
-3.764476
other
Na6Mo10O33
49
2
700.68
mp-1182637
8.977225
6.879351
-5.664693
other
Ba6P12O48
66
2
1,131.81
mp-29472
10.52576
8.169278
-5.139344
other
Fe4As2O11
17
2
200.08
mp-1228456
10.174395
9.329305
-1.943478
other
Ca18Te18O54
90
2
1,605.33
mp-1339695
-4.953772
-6.175906
0.665225
other
K6Sn2Sb6
14
2
570.28
mp-1650854
7.037908
19.58255
-0.189424
other
Li14Mn10O24
48
2
442.7
mp-1175344
6.860384
19.927599
-0.205439
other
Li7Mn5O12
24
2
222.39
mp-773515
9.164175
10.081394
-2.469671
other
Te3W1O12
16
2
197.84
mp-1246089
1.378904
1.846889
1.50612
other
Sr8V2N8
18
2
347.1
mp-1246266
2.07768
2.415241
1.221476
other
Sn2Pb8N8
18
2
372.63
mp-1247199
0.900357
2.281185
1.741894
other
Sr6Mn6N10
22
2
313.02
mp-1224122
10.415367
9.137654
3.661649
other
Ho4Zr3O12
19
2
248.28
mp-1237542
8.975965
2.121726
1.333418
other
Ca1Cr3F6
10
2
231.91
mp-756143
8.00119
17.386332
-0.271547
other
Li5Mn6O12
23
2
230.09
mp-1206115
9.020473
2.714515
1.278642
other
Zr3Fe1F6
10
2
334.1
mp-1100558
7.163199
19.50596
-0.12718
other
Li9Mn7O16
32
2
296.43
mp-1777514
8.535464
1.039061
-0.216378
other
Ca2Ag2F10
14
2
233.16
mp-773980
1.484741
2.4821
-5.078408
other
Bi6Te4Cl20
30
2
1,044.12
mp-766894
14.031266
8.801723
-1.089249
other
V8Si8O26
42
2
495.58
mp-1252214
12.713966
12.071631
-0.708832
other
Al2V4O8
14
2
150.31
mp-779107
12.306106
12.753014
2.385455
other
Ti34N12O48
94
2
1,112.69
mp-767706
9.914455
2.638459
1.471666
other
Li2V4F14
20
2
294.76
mp-1246866
1.215445
1.867383
2.097803
other
Ba6Nb6N10
22
2
417.82
mp-1210221
10.27053
11.223121
-2.648525
other
Na4W4O15
23
2
333.3
mp-764470
10.634324
2.750705
1.473183
other
V8O2F22
32
2
433.85
mp-28017
11.098432
12.03759
2.121145
other
Na16Ti10O28
54
2
626.64
mp-638002
13.27557
11.89925
-0.281949
other
Ba1V13O18
32
2
365.89
mp-752674
8.545209
1.267538
1.975631
other
Ba2Y6F22
30
2
430.34
mp-757192
12.932966
6.204416
-6.972952
other
Sn2P4O14
20
2
270.42
mp-556760
13.941048
6.575079
-6.681231
other
Nb4P8O30
42
2
627.73
mp-531110
8.594676
1.185885
1.932236
other
Ca18Pr2F40
60
2
859.6
mp-757323
7.070496
14.630658
-1.457697
other
Li13Co15O28
56
2
500.99
mp-1173883
3.85641
19.166073
-1.820065
other
Li4Co2O6
12
2
105.39
mp-1247461
0.515726
2.44183
1.995713
other
V4W4N12
20
2
294.89
mp-685231
10.135456
0.53636
0.425437
other
Na2Fe16F48
66
2
937.94
mp-1179557
7.565807
7.617754
-3.996571
other
Sm2Mo8O45
55
2
969.86
mp-1312235
7.469884
12.443419
-2.319505
other
Co6Te2O16
24
2
310.95
mp-1175469
6.594221
14.794132
-1.593949
other
Li9Co7O16
32
2
252.05
mp-1391832
9.23341
12.799294
-0.571355
other
Mg4Co4O8
16
2
199.73
mp-772781
13.911548
4.450559
-1.960744
other
Lu4B8O18
30
2
270.85
mp-1180016
7.533063
6.713839
-4.604312
other
P6N6O28
40
2
582.34
mp-757241
10.708496
12.005145
-3.280646
other
V10W6O40
56
2
740.36
mp-1399030
12.719393
10.029338
0.532777
other
Mg4W4O8
16
2
209.33
mp-680436
-6.03051
-6.567872
2.171782
other
Rb16Li8Sn32
56
2
2,034.83
mp-541134
-0.560299
1.366875
-4.12428
other
Te2Au2Br16
20
2
707.31
mp-1174741
6.769345
19.623837
-0.342045
other
Li5Mn3O8
16
2
142.45
mp-2214606
12.037704
8.720985
-2.156372
other
V2Ge4O12
18
2
235.88
mp-753395
10.950268
8.012687
-7.356655
other
Fe2P2O8
12
2
155.57
mp-1197379
6.163401
5.85056
-4.406656
other
Y2N6O28
36
2
526.82
mp-772108
12.286234
11.979918
1.993278
other
Li2Ti22O40
64
2
716.94
mp-635067
8.86017
7.566363
-2.187185
other
K2Sb2O6
10
2
161.36
mp-768079
5.88826
13.038174
-1.481231
other
Li7Ni11O22
40
2
374.57
mp-510055
13.184274
5.494554
-3.149495
other
Co4B4O10
18
2
179.49
mp-24026
3.807461
-0.622128
-2.501756
other
Si6H18N2
26
2
359.66
mp-689312
10.694113
11.442643
-2.322353
other
Li4W4O14
22
2
290.27
mp-686119
-1.062501
2.534749
-3.080079
other
Ag13Bi14I56
83
2
3,587.6
mp-1200076
8.767398
1.856293
-0.608481
other
Cr8Xe4F40
52
2
884.05
mp-1193763
10.815107
11.032206
-3.827651
other
Cu6Mo4O18
28
2
386.45
mp-1174245
4.072514
19.617556
-1.790505
other
Li7Co5O12
24
2
215.6
mp-1173575
10.640771
11.710192
3.243911
other
Nd2Nb6O18
26
2
382.69
mp-1178719
8.154981
2.902446
-1.3636
other
Zn2O4F4
10
2
159.29
mp-504934
-0.969705
1.176913
-1.781261
other
Sc16C8I24
48
2
1,416.29
mp-674645
0.910912
1.268184
-4.290465
other
Na6Nd10Cl30
46
2
1,084.41
mp-680389
8.303042
9.852885
2.149052
other
La16Cu14O38
68
2
891.09
mp-1173969
6.800951
19.773605
-0.264205
other
Li6Mn4O10
20
2
183.97
mp-1175310
6.862706
19.911213
-0.207631
other
Li14Mn10O24
48
2
441.94
mp-1352605
7.030575
5.612332
-3.05096
other
Ho6N8O33
47
2
775.83
mp-1196121
8.889858
7.810941
-4.029381
other
Sr16As16O64
96
2
1,531.21
mp-697089
11.465016
13.017284
0.441383
other
Ti2Mn2O6
10
2
98.93
mp-1273731
6.222557
11.630079
0.632114
other
Ca6Co4O12
22
2
258.48
mp-559143
10.742147
7.583847
-2.571234
other
Pb6S2O12
20
2
331.72
mp-1211366
6.261072
5.535938
-4.359455
other
Nd2N6O30
38
2
631.37
mp-1232993
11.095028
12.505779
1.938676
other
Li1Ti8O16
25
2
271.4
mp-1246289
2.118887
2.336197
1.2051
other
Mg6Bi6N10
22
2
409.19
mp-1173322
8.32097
2.765108
-1.214615
other
Os2O4F4
10
2
203.07
mp-1388550
9.124032
12.321123
-0.731843
other
Zn4Co4O8
16
2
199.09
mp-676291
-5.135803
-2.311118
2.462748
other
Ta36Te18S6
60
2
1,430.06
mp-1196283
6.298045
2.150463
-3.090772
other
H24C142F8
174
2
1,991.51
mp-1174326
7.003463
19.80007
-0.144345
other
Li8Mn6O14
28
2
257.29
mp-19117
8.546101
12.952689
-1.223188
other
Li8Mo2O10
20
2
174.07
mp-1206063
8.840664
2.50137
1.150536
other
Hf3Zn1F6
10
2
328.8
mp-1175373
6.860708
19.942574
-0.203311
other
Li7Mn5O12
24
2
221.65
mp-1205373
-0.193644
0.561404
-2.919014
other
Y6Co1Br10
17
2
530.79
mp-1215885
-7.588789
-1.38373
3.859188
other
Zr6Mn4Ni8
18
2
263.41
mp-776050
9.223523
1.187792
-0.46668
other
Li2Fe4F18
24
2
358.59
mp-16894
14.319514
8.207533
-6.621861
other
Cr7P6O24
37
2
424.74
mp-1221499
-7.098468
1.574675
-3.891215
other
Mo4Ru2Se8
14
2
304.74
mp-37808
0.603908
1.369415
2.775338
other
Sc1Ti9N9
19
2
193.65