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-1184821
-8.472494
-2.924901
3.464277
other
Ho1Rh2Pb1
4
225
74.43
mp-1187186
-7.707512
-7.826614
3.695327
other
Sr1La1Hg2
4
225
120.61
mp-1214229
-5.30922
-1.40997
4.366347
other
Be15Nb6Ni8
29
225
304.59
mp-1289220
14.105231
11.963737
-2.236027
other
V4O4F8
16
3
197.28
mp-756661
9.362803
10.079614
-2.476917
other
Te3W1O12
16
3
223.03
mp-761218
11.081138
0.297914
1.687885
other
Mn12O2F22
36
3
474.22
mp-673691
9.197083
1.114968
-0.305265
other
Na1Ni4F10
15
3
219.95
mp-2221742
11.13476
11.392377
-2.779761
other
Mn2Mo2O8
12
3
140.21
mp-1235270
5.368181
11.5248
-2.357996
other
Li1Fe8O16
25
3
320.2
mp-753340
9.744854
1.502426
1.011947
other
Li4V1F8
13
3
153.78
mp-1217836
-5.438761
-2.310224
4.360215
other
Ta3V3Si12
18
3
249.05
mp-1233563
9.404997
13.123417
-1.005747
other
Mg1Fe8O12
21
3
254.76
mp-32069
11.60224
11.005188
-3.010942
other
U1Mo5O16
22
3
305.38
mp-558256
12.667139
11.656255
1.52311
other
Li3Ti4O8
15
3
142.87
mp-770728
7.022727
12.868286
-1.57527
other
Li18Cr6O24
48
3
413.91
mp-1216927
-5.447772
-2.431087
4.621357
other
Ti3Cr3Si12
18
3
236.54
mp-780301
11.175844
0.293878
1.468923
other
Mn12O2F22
36
3
437.77
mp-765390
11.085753
0.284488
1.671377
other
Mn12O2F22
36
3
472.66
mp-760063
11.07472
0.315607
1.692939
other
Mn12O2F22
36
3
474.21
mp-1235693
9.037936
13.344122
-0.969462
other
Li1Fe8O12
21
3
229.38
mp-1233089
9.406566
13.124551
-0.834627
other
Ca1Fe8O12
21
3
238.56
mp-1178164
11.3897
11.27248
-2.412552
other
K5W15O45
65
3
950.17
mp-1653728
4.319917
18.993559
-1.86428
other
Li14Co10O24
48
3
415.28
mp-1226457
8.615866
9.559987
0.189932
other
Cs16Mn12O24
52
3
1,126.58
mp-1275623
11.712357
13.610111
-1.961693
other
Mg4V6O16
26
3
286.89
mp-558435
8.087564
1.428719
-0.015421
other
K1Yb2F7
10
3
167.35
mp-2216375
9.427487
13.249496
-0.894868
other
Mg1Fe8O12
21
3
231.62
mp-2237148
10.037072
12.220376
-4.264598
other
Mg1V28O70
99
3
1,488.16
mp-753354
8.458678
2.025694
-0.072558
other
Eu4O3F7
14
3
186.63
mp-675117
9.986931
12.82485
-3.193506
other
V5Fe3O16
24
3
248.06
mp-1217926
-5.377024
-2.251359
4.230786
other
Ta3Si12Mo3
18
3
254.53
mp-1216169
-5.438569
-2.984563
3.381843
other
Zr24P8H1
33
3
637.55
mp-1638941
12.829936
11.715629
-1.054411
other
V4W4O16
24
3
270.88
mp-1224511
12.952121
10.356445
-0.083028
other
K1Mo8O12
21
3
347.93
mp-676573
10.603384
10.986234
2.229849
other
Nb6Pb9O24
39
3
636.4
mp-1216867
-5.46115
-2.41967
4.727302
other
Ti3Mn3Si12
18
3
231.18
mp-758950
13.641694
12.300466
-3.30624
other
V4O5F7
16
3
208.98
mp-2218918
10.11696
13.656372
-1.211277
other
Mg1Cr4O8
13
3
133.35
mp-2218840
12.352038
11.939647
1.858184
other
Mg1Ti4O8
13
3
138.97
mp-1216278
-5.608147
-1.833503
4.367363
other
V3Si12Mo3
18
3
238.19
mp-1216378
-5.874026
-1.862321
4.635174
other
V3Cr3Si12
18
3
222.21
mp-755067
10.107134
1.14019
0.297655
other
Cr4O1F11
16
3
199.54
mp-1204343
10.917676
7.455675
-1.130458
other
Ba6Ge18O44
68
3
957.36
mp-1221379
10.963373
11.871239
2.830165
other
Na6Nb24O62
92
3
1,273.71
mp-1222588
-7.671588
-10.470701
5.027184
other
Mg24Ni9Pd3
36
3
632.59
mp-675872
-0.410329
0.827287
-3.923301
other
Li8U4Br24
36
3
1,148.31
mp-1220458
-5.478707
-2.3429
4.313598
other
Nb3V3Si12
18
3
249.84
mp-860957
10.598453
11.923285
2.766108
other
Zr5Ti7O24
36
3
413.48
mp-759542
11.836468
3.131425
0.92177
other
V4O3F9
16
3
209.02
mp-780699
10.935045
2.827186
1.484058
other
V4O1F11
16
3
195.41
mp-755118
10.733226
12.634754
-4.575826
other
V4O7F5
16
3
205.58
mp-1173143
11.890081
11.377582
2.142635
other
Ta12Fe6O36
54
3
649.1
mp-1179730
7.084028
5.794906
-4.542254
other
S8N12O32
52
3
999.9
mp-1274885
5.670745
13.580417
-1.721538
other
Na8Co4O12
24
3
256.02
mp-1220436
-5.428977
-2.233311
4.220946
other
Nb3Si12Mo3
18
3
255.18
mp-37509
10.101892
12.932964
0.818143
other
Nb4Fe4O16
24
3
272.68
mp-753772
8.575831
1.725523
2.328487
other
Nd4O3F7
14
3
189.35
mp-757674
13.283272
7.058165
-0.528151
other
Mg17Si16O48
81
3
920.4
mp-761842
10.645014
10.282682
3.398978
other
Hf3Sn1O8
12
3
148.93
mp-675156
8.641574
8.686681
-0.063852
other
K15N5O5
25
3
699.65
mp-1235675
9.140212
13.187645
-1.094602
other
Li1Fe8O12
21
3
247.52
mp-1173093
10.192781
10.856647
3.253489
other
Y8Ti8O28
44
3
579.67
mp-756952
10.034861
0.367553
0.24708
other
Li4Mn1F8
13
3
150.16
mp-758518
12.187365
12.640265
-4.114556
other
V4O6F6
16
3
210.84
mp-1195485
7.468197
6.428701
-3.006001
other
Ag4I12O32
48
30
820.94
mp-760338
10.308378
2.457495
-0.24524
other
V4O4F12
20
30
292.82
mp-645592
10.505111
9.911194
0.88492
other
Nb6Bi10O30
46
30
684.33
mp-1220416
10.091636
12.921471
0.762499
other
Nb2Fe2O8
12
30
136.54
mp-555438
8.673301
1.20899
1.679867
other
Ba24Al8F72
104
30
1,711.78
mp-25259
8.83798
7.261063
-3.605728
other
Fe2Se8O20
30
30
449.46
mp-753378
10.860765
11.923006
2.524552
other
Ta2Ga2O8
12
30
132.18
mp-773173
10.699369
12.465961
-0.211467
other
Ta8Co16O36
60
30
677.02
mp-1213097
8.368087
3.391068
-1.767622
other
Fe4O16F8
28
29
464.87
mp-1020012
11.702515
7.412084
-1.028551
other
Li8Ge16O36
60
29
714.65
mp-554718
13.881694
4.176086
-2.38912
other
Bi4B12O24
40
29
352.24
mp-1195594
-3.147722
-1.861256
-5.425661
other
Ba64Sn32S120
216
29
6,502.6
mp-683925
8.233361
1.949358
-0.488936
other
Cs8Sb24F128
160
29
2,896.88
mp-1232060
-4.77845
-3.019663
-3.907626
other
Mg8In16Se32
56
29
1,439.36
mp-1232050
-3.261955
-1.998363
-5.466111
other
Eu16Mg8S32
56
29
1,302.85
mp-766442
11.037155
7.864698
-6.954236
other
Fe8P8O32
48
29
787.68
mp-1232102
-2.673039
-2.682832
-5.778185
other
Tb16Mg8S32
56
29
1,236.2
mp-779478
8.32987
9.556149
-0.105433
other
Na36Cu8O28
72
29
967.37
mp-1214833
12.791657
7.594044
0.890684
other
Al4Br4O4
12
29
247.39
mp-21707
-2.651161
-2.723573
-5.767195
other
Er16Cr8S32
56
29
1,159.6
mp-1232228
-3.162973
-2.176955
-5.321514
other
Yb16Mg8S32
56
29
1,227.76
mp-1232127
-2.711181
-2.645736
-5.780334
other
Dy16Mg8S32
56
29
1,225.18
mp-1219332
-4.283408
-4.102482
-3.785658
other
Sm12Cu4Se24
40
29
969.19
mp-28407
0.960459
2.067722
-4.32287
other
S8Br16O8
32
29
894.04
mp-29491
-1.993722
-0.219012
-4.782757
other
H4S32N4
40
29
1,070.05
mp-15148
-3.42556
-0.823532
-4.953049
other
K16Nb8S44
68
29
1,888.55
mp-554856
12.887568
6.222696
-0.680832
other
Na8Si8O20
36
29
456.11
mp-1232039
-4.223601
-4.108068
-3.806346
other
La16Mg8Se32
56
29
1,577.63
mp-1232123
-2.753049
-2.625476
-5.664952
other
Mg8Sc16S32
56
29
1,082.16
mp-1232029
-2.743377
-2.620747
-5.798652
other
Y16Mg8S32
56
29
1,231.49
mp-867984
6.845684
5.905265
-3.980472
other
Pb12N4O24
40
29
728.3
mp-1178446
9.410248
7.832209
-6.073314
other
Co8P8O32
48
29
737.21
mp-1239200
-5.558692
-0.214455
-5.839025
other
Na8Cr16S32
56
29
1,014.95
mp-1232283
-4.313073
-4.195781
-3.814314
other
Lu16Mg8Se32
56
29
1,350.5
mp-728394
10.128894
9.38626
-2.986964
other
Te8P4O28
40
29
591.13
mp-1211062
8.206586
3.345824
-1.699216
other
Mn4O16F8
28
29
460.97