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-1362276
8.485065
8.471379
-2.341742
other
Al10Cu6O24
40
8
406.94
mp-763358
11.46769
1.533331
2.62502
other
Fe4O1F7
12
8
150.5
mp-1225424
-2.647192
-2.689564
-5.715286
other
Dy4Cr1S7
12
8
259.72
mp-1181901
-3.392102
-3.955752
0.707407
other
Cu4Sn1P10
15
8
251.04
mp-677596
-5.974317
-3.665512
-1.983419
other
Sn5Bi10Te20
35
8
1,279.08
mp-1354855
12.732577
10.712812
1.88971
other
Ca6Ti12O24
42
8
523.96
mp-559916
10.598881
8.211658
0.466551
other
Na17Al5O16
38
8
501.02
mp-1219271
-7.892694
0.92066
5.025063
other
Sm2Fe15Co2
19
8
260.35
mp-1220959
12.702061
10.703487
2.11391
other
Na3Ta12O24
39
8
474.16
mp-676284
-4.333504
-3.918507
-3.960063
other
Y2Ag2Se4
8
8
198.51
mp-1147661
-4.496041
-0.058716
-5.047626
other
Mg4V4S12
20
8
432.88
mp-769622
8.084819
13.985069
-1.54246
other
Mn9Fe4O24
37
8
434.82
mp-725197
9.88346
7.295244
-2.368097
other
Mg3Si2O9
14
8
395.33
mp-752797
10.214918
0.646977
-0.44352
other
Co6O1F11
18
8
215.65
mp-626550
10.67601
12.759066
2.332921
other
Ti6H4O14
24
8
279.08
mp-1199762
13.848594
5.501927
-6.691954
other
Al36P36O144
216
8
5,168.56
mp-776100
8.923489
13.528236
-0.843692
other
Ti5Mn3O16
24
8
269.71
mp-1227717
-6.698792
-6.681278
3.772165
other
Ca2In3Cu1
6
8
152.28
mp-1406553
6.554105
12.333112
-1.19523
other
Ca2Ni4O8
14
8
166.11
mp-1302349
8.92118
14.862892
-0.387227
other
Mg4Mn8O16
28
8
313.68
mp-2219569
5.968228
12.34251
-1.622116
other
Mg1Ni4O8
13
8
161.38
mp-1185686
-6.167442
-8.425159
5.679276
other
Mg16Al12Pd1
29
8
572.47
mp-1224881
-5.998049
-3.455518
-2.203547
other
Ga3Te3As1
7
8
209.63
mp-34234
12.414824
7.776903
-0.445676
other
Al12Ni6O24
42
8
402.63
mp-752761
13.131199
0.58823
1.71828
other
Fe4O3F5
12
8
141.7
mp-1642629
6.294256
12.997465
-2.752457
other
Co8O12F4
24
8
239.56
mp-1185742
-6.182238
-8.761295
5.635085
other
Mg17Al11Pb1
29
8
605.85
mp-674422
7.703291
16.840181
-0.679704
other
Li11Mn11O26
48
8
460.6
mp-1389167
10.220123
13.62778
-1.312564
other
Mg1Cr4O8
13
8
150.12
mp-1189663
7.979138
4.723937
-6.460763
other
Er2C4O12
18
8
277.33
mp-1224732
-5.276143
-1.731773
-2.74445
other
Fe1Rh2Se4
7
8
127.6
mp-1327310
10.830557
9.436759
-0.3535
other
Zn8Sb16O32
56
8
894.97
mp-1355803
6.981714
11.252462
-1.082845
other
Zn6Cu12O24
42
8
442.13
mp-1227088
-6.200118
-6.60393
3.678675
other
Ca6Ag3Ge5
14
8
333.14
mp-998197
1.134332
2.236539
-5.745662
other
Rb1Ca1Cl3
5
8
155.5
mp-1178257
9.669802
8.21899
-6.145205
other
Fe7P8O32
47
8
595.91
mp-1216743
-6.295372
-2.256815
-1.233301
other
V2Fe1Te4
7
8
159.17
mp-1220099
-6.255374
-3.844944
0.811599
other
Ni4Sn3Sb9
16
8
394.03
mp-1045581
6.526904
13.541577
-2.162207
other
Zn1Co4O8
13
8
134.93
mp-1225714
-6.815012
-0.155223
3.240601
other
Fe30Si6As6
42
8
504.97
mp-756165
11.532619
1.530227
2.634711
other
Fe8O2F14
24
8
296.88
mp-530303
11.708481
7.975555
-0.16369
other
Mg8Ga16O32
56
8
593.5
mp-531351
12.017495
13.119455
-0.767811
other
Mn16V8O32
56
8
664.67
mp-1215577
-4.189445
-0.662074
-4.383556
other
Zr2Ni1S4
7
8
135.41
mp-1071351
-4.904878
-3.918912
0.007899
other
U2Te2P2
6
8
178.45
mp-1219956
-7.706038
0.947057
5.144101
other
Pr4Al1Fe33
38
8
538.15
mp-685250
8.141641
14.140644
-1.649861
other
Li1Mn16O32
49
8
563.22
mp-1358877
7.048728
9.899654
-2.560032
other
Al8Co6O24
38
8
398.35
mp-1181099
8.787766
8.840929
-2.306644
other
Hg4Sb1O6
11
8
188.53
mp-1041166
6.124061
12.591649
-1.4099
other
Mg6Ni12O24
42
8
433.68
mp-1217158
-8.477852
-4.96374
2.57416
other
U2Pd5Au5
12
8
226.95
mp-605853
8.798382
3.430973
-7.863666
other
Li4C1O4
9
8
75.3
mp-1220836
8.182716
1.449007
0.577283
other
Pb3Br1F5
9
8
252.76
mp-1185731
-6.196158
-8.297091
5.776587
other
Mg16Sc1Al12
29
8
584.85
mp-758475
7.617446
12.016708
-0.625217
other
Li8Cu6O12
26
8
259.77
mp-1290926
6.486594
13.811222
-1.893616
other
Na6Co10O20
36
8
408.35
mp-1047978
10.714595
9.648882
0.18134
other
Mg1Sn4O8
13
8
191.42
mp-1046228
10.36921
9.642357
0.236717
other
Mg1Sn4O8
13
8
197.97
mp-1353844
8.242105
13.277763
-1.102986
other
Zn6Fe12O24
42
8
468.62
mp-1047976
10.545198
9.637684
-0.276731
other
Ca1Sb4O8
13
8
205.11
mp-1567941
13.124857
11.606209
-0.050827
other
Ca2V8O12
22
8
242.72
mp-34038
0.536262
2.01415
-4.465825
other
Li6N1Cl3
10
8
161.49
mp-626497
11.656155
4.156203
-3.873248
other
Al2H6O6
14
8
109.05
mp-705869
8.90922
14.72075
-1.002076
other
Mn20Cu10O40
70
8
770.67
mp-690571
-6.016222
-3.567574
-2.217971
other
In4Hg6Te12
22
8
927.67
mp-1178280
11.496566
1.520857
2.631448
other
Fe8O2F14
24
8
300.62
mp-37621
12.62788
7.784109
-0.296295
other
Al12Co6O24
42
8
409.39
mp-1044626
11.159869
9.386538
0.236906
other
Zn6Sn12O24
42
8
605.85
mp-530826
12.554673
7.541193
0.530524
other
Mg7Al22O40
69
8
666.27
mp-1182814
-5.951546
0.685846
-4.282814
other
Ga1Mo4Se8
13
8
306.88
mp-1216647
-4.273556
-4.179859
-3.825223
other
Tm4Cd1Se7
12
8
304.15
mp-1224165
-7.231535
-3.426035
4.612061
other
Hf2Ga3Co1
6
8
98.04
mp-1217799
-7.609005
0.909387
4.78682
other
Tb3V4Fe32
39
8
502.42
mp-1221703
-4.520896
-1.35124
-5.674388
other
Mn2Cd4S6
12
8
297.13
mp-1185759
-6.141802
-8.705027
5.676973
other
Mg17Al11Tl1
29
8
600.08
mp-676867
8.506704
1.123642
1.802891
other
Ca6Ho3F21
30
8
432.56
mp-1224029
11.175272
12.216545
2.211015
other
K3Ti8O17
28
8
359.5
mp-867562
6.879023
13.048629
-2.52226
other
V3Co5O16
24
8
244.79
mp-780858
5.136934
11.343552
-2.28924
other
Fe8O14F2
24
8
255.03
mp-1185468
-6.245661
-8.726277
5.706211
other
Li1Mg17Al11
29
8
584.53
mp-2225572
-3.939771
-0.350137
-4.673676
other
Mg1Ti2S4
7
8
141.44
mp-1365412
11.418223
12.699661
-0.295417
other
Zn8Cr16O32
56
8
619.07
mp-568791
0.432836
0.905726
-2.92453
other
Ca3Si1Br2
6
8
215.06
mp-909302
-4.599858
-3.9721
0.672952
other
Ba2Cu20P8
30
8
431.93
mp-676430
-1.710799
0.886639
-4.984332
other
Ag9S4I4
17
8
410.68
mp-761136
11.199983
12.451311
2.090344
other
Na1Ti8O16
25
8
298.86
mp-1220525
-5.75132
-1.60153
3.831519
other
Nb5Si6Mo5
16
8
244.32
mp-1220333
-7.747986
1.022826
5.050508
other
Nd1Er3Fe34
38
8
514.02
mp-1179554
8.122159
2.427813
-1.170926
other
Sc1N3F6
10
8
184.63
mp-1215415
-6.341332
-1.445526
4.176508
other
Zr3V9Ge10
22
8
336
mp-1225333
-2.692625
-2.681368
-5.690102
other
Dy4Mg1S7
12
8
263.55
mp-1222948
-4.086282
-4.308315
-3.638274
other
La1Er4Se7
12
8
318.95
mp-642739
-0.427685
1.2309
-4.751194
other
Cs1Ge1Br3
5
8
191.74
mp-1404456
6.463888
13.737967
-2.240802
other
Mg1Co4O8
13
8
128.61
mp-1443685
12.404142
11.45211
1.996872
other
Ca1Ti4O8
13
8
158.38
mp-1217653
-7.938279
-4.740297
4.991381
other
Tb6Ga19Pd3
28
8
521.88
mp-998417
-1.328104
2.49334
-2.230811
original
Cs1Sr1I3
5
8
270.81
mp-758418
7.216569
9.295382
-2.40724
other
Tl16O15F17
48
8
662.15
mp-1216776
9.429713
11.396045
-4.181504
other
V4N1O11
16
8
226.4
mp-753975
9.543104
8.69032
-0.221064
other
Dy2Bi7O14
23
8
388.59