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-1229207
10.55808
7.138355
-1.768377
other
Al4Si8O24
36
1
880.26
mp-1244915
9.434913
12.875484
-1.416831
other
Cr8Fe24O48
80
1
1,056.8
mp-673570
10.017225
6.992086
-0.868318
other
Al8H24O24
56
1
435.5
mp-776260
1.880284
1.766559
2.825261
other
Zr16N16O8
40
1
522.84
mp-626229
10.251015
4.331873
-5.040633
other
H16S4O20
40
1
399.85
mp-626536
11.451963
11.440121
1.560388
other
Nb4H4O12
20
1
239.48
mp-677429
8.02116
13.99878
-1.480262
other
K1Mn4O8
13
1
145.45
mp-626112
8.787221
3.987862
-4.439524
other
H28N4O24
56
1
520.67
mp-626295
10.427667
3.702162
-4.069015
other
Ba2H32O20
54
1
496.27
mp-1182285
8.07606
6.10942
-3.041111
other
Ba2Bi2O6
10
1
207.72
mp-1181234
-3.678574
-1.572516
-5.712404
other
In10Pb6S21
37
1
866.78
mp-758726
5.915672
13.062307
-1.479907
other
Li12Ni18O36
66
1
616.66
mp-676580
-3.073726
-1.484481
-5.270175
other
Ba11Nb6S28
45
1
1,188.12
mp-626574
10.564563
5.769983
-4.310654
other
Fe16H20O34
70
1
710.98
mp-1233014
9.040323
13.43705
-0.984484
other
Li1Fe8O12
21
1
216.02
mp-1177621
10.156451
12.687438
-3.998706
other
Li3V24O58
85
1
1,064.34
mp-778181
12.234557
-0.898104
0.912391
other
Mn12O7F17
36
1
443.06
mp-632539
-3.646122
-1.44773
-5.604634
other
Tl1In1S2
4
1
121.35
mp-675760
-5.630616
-3.619291
-1.968873
other
Sm3Sb14Te24
41
1
1,369.97
mp-752584
7.055774
10.330414
-0.833726
other
Na5Cu7O13
25
1
334.06
mp-780075
1.690372
1.805261
2.937034
other
Hf16N16O8
40
1
502.47
mp-1288147
11.32839
8.015409
-4.5941
other
Co4As4O14
22
1
270
mp-850877
8.616099
15.161559
-1.653328
other
Mn8O13F3
24
1
250.38
mp-677041
8.444843
1.957007
0.551847
other
Zr4Cu4F12
20
1
354.69
mp-761262
9.75058
0.430955
0.122074
other
Li4Cu4F12
20
1
226.36
mp-625318
11.699103
4.185713
-3.801807
other
Al2H6O6
14
1
108.43
mp-697842
9.50565
13.511296
-0.82626
other
Mn10Fe20O40
70
1
807.15
mp-757587
9.686785
8.618659
0.198057
other
Dy10Bi22O48
80
1
1,346.08
mp-698613
7.81553
11.879462
2.101746
other
La14Mn16O45
75
1
987.16
mp-677069
-4.918202
0.265174
-4.826809
other
Tl3V24S32
59
1
1,024.78
mp-1181505
8.64485
4.064955
-4.567706
other
H16N8O12
36
1
395.59
mp-674366
8.834176
1.390116
1.149556
other
Tl6Si2F14
22
1
407.15
mp-685615
6.56184
5.202832
-4.550056
other
Na11N7O16
34
1
461.82
mp-1235669
6.65671
6.118697
-3.751182
other
Sr2Li1O12
15
1
228.45
mp-1247698
7.052973
12.251592
1.346215
other
Ca16Mn16O44
76
1
908.17
mp-582988
1.081976
2.240683
-4.913156
other
Bi12Pt1Cl12
25
1
837.85
mp-1044820
10.570982
9.421102
-0.135558
other
Ca6Sb12O24
42
1
747.94
mp-1205403
2.211403
2.725146
-4.519798
other
Al2Se2Cl14
18
1
512.45
mp-1042300
11.79382
11.089264
-2.25566
other
Ta1W2O8
11
1
178.41
mp-753428
12.914214
11.851961
0.48841
other
Ti4V4O12
20
1
216.75
mp-752706
10.667862
9.910701
3.972345
other
Ce1Zr11O24
36
1
433.5
mp-1638896
8.056045
17.155756
-0.291532
other
Li5Mn6O12
23
1
230.42
mp-704848
10.291758
11.283494
-3.615484
other
V4Re4O22
30
1
459.46
mp-674506
8.36836
1.338815
1.132611
other
Nd1Pb7F17
25
1
429.78
mp-759698
12.818906
-1.158507
0.725779
other
Mn12O10F14
36
1
422.27
mp-763211
13.267828
13.205687
-1.828119
other
V6O10F2
18
1
194.39
mp-755518
11.682683
0.825431
-0.201526
other
Fe6O7F5
18
1
206.96
mp-674297
6.285018
4.958949
-4.51114
other
Na8N8O24
40
1
533.41
mp-1328763
9.549664
12.347595
-1.11935
other
Co20Sn10O40
70
1
842.55
mp-849290
6.641419
12.790531
-2.849553
other
Co6O7F5
18
1
186.74
mp-754653
11.828488
1.333013
2.659327
other
Fe6O2F10
18
1
223.18
mp-1385968
8.29758
4.335677
-1.207108
other
Cr4O3F9
16
1
196.42
mp-760173
9.956136
12.559499
-4.18055
other
Na1V24O58
83
1
1,066.81
mp-675743
-6.931183
1.452778
-4.137813
other
Mg2Mo12Se16
30
1
638.39
mp-1277718
10.108293
1.138139
0.29227
other
Cr4O1F11
16
1
200.77
mp-764086
10.913893
2.816628
1.486159
other
V4O1F11
16
1
197.78
mp-777841
13.295685
0.495463
1.387639
other
Fe6O5F7
18
1
210.94
mp-772954
7.710488
11.864955
2.150854
other
La15Mn16O48
79
1
975.05
mp-686160
10.455488
11.968418
2.484904
other
Li17Nb20O60
97
1
1,126.06
mp-764557
10.437822
2.241507
-0.213137
other
V6O5F19
30
1
425.96
mp-2215949
10.989744
12.589612
-3.607958
other
Mg1V4O10
15
1
265.23
mp-1371307
10.349512
1.018326
0.295921
other
Mn5O1F11
17
1
255.64
mp-1104587
5.15492
4.662723
-4.101095
other
Tc1Cl6O6
13
1
401.58
mp-758556
8.875505
13.135899
-1.218139
other
Fe13Cu5O24
42
1
429.85
mp-753055
9.582387
8.55315
-0.252969
other
Tb1Bi5O9
15
1
249.78
mp-781618
12.254568
-0.910513
0.90803
other
Mn12O7F17
36
1
439.97
mp-780305
5.985117
12.251941
-1.544743
other
Li12Fe10O24
46
1
441.75
mp-1120778
12.803354
10.166697
2.493191
other
Nb4N1O3
8
1
119.3
mp-674352
-3.950301
-1.162531
-5.457374
other
Ta1Ag7S6
14
1
319.28
mp-1221786
8.333706
4.479458
-6.432897
other
Pb30C18O72
120
1
1,926.69
mp-531717
7.526341
11.88697
2.107693
other
La15Mn15O48
78
1
966.19
mp-675993
1.88705
1.763608
2.816446
other
Zr16N16O8
40
1
523.17
mp-1272753
6.580852
11.282887
1.114843
other
La4Co4O12
20
1
237.88
mp-2214695
12.130788
12.637005
-4.155778
other
V4O6F6
16
1
216.11
mp-860960
7.818408
10.255086
0.603944
other
Ba12Pt9O27
48
1
776.24
mp-690534
8.959454
1.816706
1.831706
other
K6Fe2F6
14
1
327.54
mp-691119
9.74131
8.720374
-0.622265
other
Bi14Mo1O24
39
1
654.78
mp-849485
12.234624
-0.909248
0.899736
other
Mn12O7F17
36
1
442.24
mp-625171
10.302361
3.162706
-3.966417
other
H14Cl2O6
22
1
216.75
mp-776280
1.312007
1.874499
2.732339
other
Ti16N16O8
40
1
428.1
mp-756189
12.725808
0.480473
0.25684
other
Fe10O11F9
30
1
344.34
mp-774385
12.088127
1.184958
2.624328
other
Fe10O4F16
30
1
370.18
mp-1219307
13.101798
7.397927
-1.517807
other
Si1H2O1
4
1
44.12
mp-755758
13.212406
0.369469
0.860839
other
Fe6O6F6
18
1
210.09
mp-1179315
10.146558
9.25746
-1.807541
other
Sr24Te24O72
120
1
2,270.9
mp-1181986
6.561485
5.946033
-3.599961
other
Cd2Br4O8
14
1
267.19
mp-849538
12.787118
-0.121061
-0.007827
other
Mn6O7F5
18
1
200.95
mp-561974
11.273775
9.600125
4.164925
other
Zr7N4O8
19
1
240.17
mp-771244
6.153654
13.61626
-2.323153
other
Li4Co13O28
45
1
472.86
mp-754305
13.336407
0.481509
1.446641
other
Fe6O5F7
18
1
212.73
mp-861324
7.557586
4.9445
-1.691311
other
Ga8Fe8O24
40
1
435.63
mp-759555
10.807909
12.517422
-4.563576
other
V4O7F5
16
1
191.88
mp-764763
6.273494
18.188831
-0.802237
other
Li7Mn4O12
23
1
209.26
mp-1178199
8.863406
13.140901
-1.15057
other
K3Fe22O34
59
1
768.74
mp-625094
11.135349
4.189999
-4.074245
other
Cd2H4O4
10
1
104.92
mp-776315
1.88257
1.770399
2.824157
other
Zr16N16O8
40
1
522.8
mp-883909
7.974263
4.120671
-1.32268
other
Mn5O1F11
17
1
237.05
mp-38357
8.316282
1.468598
1.197351
other
Ba8Bi6F34
48
1
757.22
mp-755912
13.252895
0.361636
0.873533
other
Fe6O6F6
18
1
209.17
mp-677628
10.89862
11.64687
2.073135
other
Mg24Ti12O48
84
1
926.37