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-2219494
10.61448
13.1755
-1.423384
other
Mg1Cr4O8
13
1
150.14
mp-36699
9.768826
8.693339
3.218549
other
Ce8Y8O28
44
1
640.98
mp-772740
9.550587
8.500585
3.211342
other
Ba8Lu12O26
46
1
770.78
mp-1345738
-5.401674
-2.529425
-1.336418
other
Ta3Nb3Te12
18
1
495.59
mp-755131
11.812749
0.7611
-0.182787
other
Fe6O7F5
18
1
202.96
mp-1225920
-4.670416
-1.390261
-5.494376
other
Cu12As4S13
29
1
529.11
mp-675305
10.091529
12.952911
0.77301
other
Nb4Fe4O16
24
1
270.55
mp-1178288
5.223863
11.786273
-2.381404
other
Fe10O16F4
30
1
326.65
mp-780464
11.805314
-0.522774
1.178569
other
Mn12O5F19
36
1
457.01
mp-1226184
-4.546996
-1.655905
-5.484314
other
Cu7S4N1
12
1
194.95
mp-1179015
6.691269
6.158979
-3.764045
other
Sr1Zn1O5
7
1
130.22
mp-777859
10.496469
2.240405
-0.20353
other
V6O5F19
30
1
426.42
mp-676329
-3.045838
0.35701
-4.187055
other
Rb10Re6S14
30
1
866.93
mp-755174
9.936029
14.964422
-1.443764
other
Mn6O8F4
18
1
197.82
mp-1177790
9.827699
1.805022
0.70788
other
Li12V6F36
54
1
661.85
mp-1178343
12.714666
0.491488
0.259772
other
Fe10O11F9
30
1
347.2
mp-760996
10.497541
2.23756
-0.209709
other
V6O5F19
30
1
440.94
mp-779466
8.467723
14.837167
-1.737089
other
Mn4O7F1
12
1
123.1
mp-674351
10.374147
13.152385
-0.566596
other
Ti5Fe11O24
40
1
426.42
mp-627349
13.502411
7.489709
-1.227088
other
Si20H20O30
70
1
937.12
mp-780231
1.682823
1.804999
2.937596
other
Hf16N16O8
40
1
502.57
mp-778117
13.251742
13.203736
-1.828979
other
V6O10F2
18
1
193.89
mp-849730
10.749228
12.416928
2.286791
other
Na12Ti24O54
90
1
1,083.37
mp-626210
10.389968
3.7377
-4.118122
other
Sr1H16O10
27
1
261.09
mp-676750
-3.330435
-2.112729
-4.966084
other
Yb16Fe8S32
56
1
1,320.85
mp-698623
11.841379
10.925482
-2.251846
other
K4W11O35
50
1
833.98
mp-1182825
7.812424
8.693799
-1.897682
other
K4C1O4
9
1
231.18
mp-753083
7.534728
12.622104
-1.028487
other
Li3Fe4O8
15
1
192.41
mp-1223078
9.567016
8.978206
2.40642
other
La4Pt1O7
12
1
190.09
mp-1327980
14.07455
5.875975
-7.327115
other
Nb10P14O60
84
1
1,209.97
mp-1357451
7.60007
4.797319
-1.601117
other
Ti16N16O8
40
1
428.25
mp-773028
7.628386
10.109199
-3.844334
other
Mn7Cr12O48
67
1
894.47
mp-2234152
10.298447
12.80178
-3.880582
other
Mg1V6O15
22
1
280.31
mp-1173445
10.058022
10.30022
-3.432226
other
Re4Bi1O12
17
1
322.61
mp-754335
11.724716
7.953461
0.021123
other
Ga12N4O12
28
1
375.73
mp-673439
7.581565
5.083776
-2.155159
other
H20Br4O8
32
1
368.4
mp-907483
-5.303244
0.794422
-4.488974
other
Fe4Mo8S16
28
1
439.58
mp-780514
5.198835
11.794341
-2.408941
other
Fe10O16F4
30
1
321.75
mp-677108
-5.828166
1.441975
-4.930782
other
Li7Mo12S16
35
1
588.1
mp-861565
11.242816
0.50742
1.773015
other
Mn7O3F9
19
1
260.42
mp-752438
8.733254
9.631392
-2.000045
other
Tl3Sb8O24
35
1
570.97
mp-753141
8.198593
10.924252
-3.208132
other
Li5Cr2O8
15
1
186.82
mp-760913
10.527818
2.273085
-0.183242
other
V6O5F19
30
1
427.49
mp-849665
10.897677
-0.060494
0.135404
other
Mn12O4F32
48
1
624.72
mp-38916
8.565912
1.406306
1.507629
other
Y6Pb8F34
48
1
668.16
mp-626012
10.043377
4.378284
-4.086245
other
Te1H6O6
13
1
133.72
mp-675682
12.69645
7.5195
0.645549
other
Al11N1O15
27
1
254.99
mp-554002
11.690936
4.17814
-3.824282
other
Al2H6O6
14
1
108.53
mp-674324
-0.735841
1.142295
-4.545552
other
Sn7S2Br10
19
1
750.8
mp-674708
6.982608
6.172197
-3.322614
other
Rb4N4O3
11
1
276.68
mp-1106342
6.791188
6.029188
-3.911889
other
Li3V1O12
16
1
212.07
mp-676368
6.411715
5.315785
-4.464933
other
Rb4N2O7
13
1
311.93
mp-1245260
10.361919
12.662471
-1.35053
other
Cr16Fe16O48
80
1
1,025.63
mp-1225914
-6.164339
-2.976318
-2.243912
other
Cu8Ge4Te12
24
1
669.11
mp-766607
8.397058
14.867515
-1.047786
other
Na7Mn16O32
55
1
649.84
mp-753524
9.458201
8.727572
-0.245822
other
La2Bi7O14
23
1
438.57
mp-861804
7.63712
4.660887
-1.560327
other
V4O3F9
16
1
214.6
mp-779365
11.393974
2.955782
1.314688
other
V6O3F15
24
1
297.94
mp-1101222
12.095831
3.112089
0.940644
other
V4O3F9
16
1
196.62
mp-760773
9.371856
0.830696
-0.442616
other
Li2Cu4F14
20
1
229.56
mp-779009
9.698716
1.023498
-0.531415
other
Ni6O2F10
18
1
205.35
mp-531700
11.983678
13.156192
-0.772751
other
Mn16V8O32
56
1
663.27
mp-1279953
6.863235
13.48853
-1.489693
other
Na4Co4O8
16
1
179.62
mp-987456
0.807592
1.957808
-3.586467
other
Sc7C1Br12
20
1
897.86
mp-764498
12.288922
-0.903163
0.881916
other
Mn12O7F17
36
1
437.09
mp-1173871
9.992621
4.400491
-6.919508
other
Na4S2O8
14
1
239.46
mp-752461
12.766654
-1.152014
0.844661
other
Mn6O5F7
18
1
215.9
mp-2223092
7.987103
10.376145
-3.757533
other
Mg1Cr2O6
9
1
157.52
mp-760933
9.998196
12.143299
-4.665072
other
V6O12F6
24
1
297.98
mp-863405
8.422822
14.347422
-1.472469
other
Mn8Pb1O16
25
1
274.17
mp-761197
13.633888
12.269547
-3.309604
other
V8O10F14
32
1
421.54
mp-780216
6.044734
12.351515
-1.50161
other
Li10Fe6O16
32
1
291.91
mp-1226402
-7.285673
0.776843
3.604768
other
Fe46B3C9
58
1
581.21
mp-698611
9.707933
8.713274
-0.569198
other
Bi28Mo2O47
77
1
1,362.21
mp-624196
12.954975
10.68566
-0.458168
other
Ba4Mo24O40
68
1
923.78
mp-675834
8.490786
1.678813
2.42557
other
La6O4F10
20
1
304.73
mp-1221826
-6.60754
-0.303267
2.659376
other
Mn3Fe9P4
16
1
179.2
mp-676865
11.870266
7.376053
-0.662004
other
Ba6Ge6O18
30
1
567.99
mp-1977994
7.06627
19.560108
-0.196784
other
Li14Mn10O24
48
1
441.81
mp-752950
7.063578
13.482086
-1.106559
other
Li4Fe5O10
19
1
188.46
mp-780768
12.818882
-1.152833
0.722682
other
Mn12O10F14
36
1
421.51
mp-776229
1.313793
1.876822
2.745111
other
Ti16N16O8
40
1
427.91
mp-1147782
6.891057
7.098419
-3.740773
other
Ba8Cu8O48
64
1
1,218.67
mp-759888
12.085814
11.198997
-1.539913
other
Na9W13O39
61
1
783.21
mp-622026
11.426085
11.483906
-2.222113
other
Cu8W4O16
28
1
367.13
mp-775126
12.255328
-0.882119
0.878444
other
Mn12O7F17
36
1
440.03
mp-1100992
11.302482
12.571198
-3.27615
other
V12Cu10O33
55
1
749.59
mp-1003764
8.474019
14.384804
-0.352667
other
K12Mn16O32
60
1
779.44
mp-755871
15.070091
12.456873
-0.789034
other
V6O7F5
18
1
205.57
mp-1305060
11.471908
0.439043
1.785218
other
Mn10O6F10
26
1
370.87
mp-1225780
12.246286
6.695632
0.239188
other
Dy12Si12O42
66
1
803.89
mp-685633
10.556962
8.960626
2.654422
other
Y10U4O27
41
1
528.26
mp-1367097
6.740757
5.592186
-3.560993
other
Ir1N9O12
22
1
419.94
mp-662502
-2.500742
-0.39269
-5.250209
other
Hf2P4S12
18
1
524.06
mp-675756
12.328603
6.316012
-5.572318
other
Ba3P4O13
20
1
333.81
mp-988256
-6.393706
-3.783936
1.07431
other
Fe4Sb4Pt4
12
1
222.5
mp-625112
10.169127
3.817593
-4.071887
other
H16Pt2O12
30
1
228.5
mp-676312
6.589133
8.905045
-1.17989
other
Yb8Bi8O24
40
1
635.73
mp-2223528
7.831485
10.34306
-3.812322
other
Mg1Cr6O16
23
1
344
mp-989625
0.716927
2.438895
1.908304
other
Sr2W2N6
10
1
144.65