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-1208371
2.742809
2.961569
-3.868447
other
Tl4N8Cl20O4
36
62
1,409.84
mp-777549
9.055896
12.303212
-0.19013
other
Li40Co8H8O32
88
62
842.95
mp-1198976
-3.051454
-1.631304
-5.467206
other
Ba12Ga4S16Cl4
36
62
1,018.05
mp-645796
11.26265
11.050865
-3.831163
other
Tl4Fe4Mo8O32
48
62
783.67
mp-775199
11.484365
12.726003
-2.83915
other
Li4Mn4V4O16
28
62
338.75
mp-726669
12.678065
7.228322
-4.425027
other
Ge4P4Cl4O8
20
62
470.28
mp-768290
12.747671
6.12038
-2.906987
other
Li8Fe4B4O16
32
62
308.95
mp-697170
8.572226
1.054848
-4.19662
other
Mg4H24Br8N8
44
62
580.83
mp-780533
11.25516
7.729999
-2.409104
other
Li4Mn4Si4O16
28
62
284.91
mp-758830
13.808688
7.752447
-0.92243
other
Li8Fe8Si12O36
64
62
913.23
mp-555048
8.932213
0.976255
1.248773
other
Na4Al4Cd4F24
36
62
475.07
mp-1177168
8.921062
12.232729
-0.20882
other
Li40Ni8H8O32
88
62
843.52
mp-1213388
9.558269
7.835239
-5.01403
other
Cu12Mo4S4O36
56
62
712.34
mp-1181082
2.337663
2.862399
-3.82827
other
Hg4S4N4Cl4
16
62
529.14
mp-1197987
13.800853
4.129831
-2.342162
other
Na12B24Br4O40
80
62
975.37
mp-20216
10.656673
10.713165
0.034374
other
Mg4Pb8W4O24
40
62
542.22
mp-19226
14.65045
7.690792
-5.293365
other
Na4Fe4P4O16
28
62
304.78
mp-1196921
13.743431
4.852169
-2.134418
other
Mg20Ta4B12O48
84
62
847.34
mp-541375
8.473674
1.145227
-4.301085
other
Cd4H16Br12N4
36
62
653.84
mp-1208686
8.895329
1.115055
1.290894
other
Sr4Ca4Cr4F28
40
62
600.62
mp-572287
-3.218716
-0.934251
-5.591114
other
Cs16V8S16O12
52
62
1,545.64
mp-760112
8.486924
15.011686
-0.181366
other
Li8Mn4O8F4
24
62
216.04
mp-1214805
-3.071798
-1.550046
-5.610845
other
As4Pb8S12I4
28
62
793.11
mp-557161
-3.656442
-1.94302
-5.15836
other
Ba16Fe12S24F16
68
62
1,531.24
mp-1208334
9.544992
3.577922
-0.30873
other
Ti8Te8O20F20
56
62
859.63
mp-17736
9.069453
8.998206
2.69523
other
Ba4Lu8Co4O20
36
62
483.21
mp-1197022
11.27205
7.011019
-2.952406
other
Cr4B8Pb24O48
84
62
1,461.71
mp-1213894
13.437436
4.860416
-1.206481
other
Ca4Y4B4O16
28
62
369.84
mp-6557
12.437104
6.255927
-5.274763
other
Cs8P4O12F4
28
62
616.93
mp-1238884
-4.970298
-0.117248
-5.54274
other
Ti4Cr4Ag4S16
28
62
522.82
mp-605771
11.417749
11.024092
-3.699027
other
Tl4In4Mo8O32
48
62
821.83
mp-542765
-3.239652
-2.334126
-5.683407
other
Eu4Dy4Cu4S12
24
62
511.2
mp-1191250
9.127728
6.539186
-3.965211
other
Yb4H8Cl4O8
24
62
305.3
mp-19364
8.989072
9.003683
2.574028
other
Ba4Dy8Co4O20
36
62
489.85
mp-704186
14.586517
8.108644
-5.272299
other
Li4Fe16P12O48
80
62
917.69
mp-1040870
14.18212
8.903433
-3.985152
other
Mg4Mo8P8O36
56
62
717.65
mp-1214685
8.679744
5.09286
-5.284552
other
Ba4H8S20O24
56
62
1,240.44
mp-1200366
8.027636
0.893698
-4.209895
other
H16Pb4I12N4
36
62
888.04
mp-1176541
8.901363
3.555843
-7.592019
other
Li4V4C4O16
28
62
280.67
mp-1202505
2.086316
2.97186
-5.266413
other
Cs8Re4Cl12O12
36
62
1,000.65
mp-1203567
11.182692
10.947237
-3.683765
other
K4V8Se4O28
44
62
679.62
mp-504802
10.407946
3.770936
-4.322645
other
Mg4H48S8O36
96
62
951.08
mp-504863
8.42086
10.361355
-0.033717
other
K4Na8Fe4O12
28
62
435.6
mp-17687
9.181864
8.869906
2.703526
other
Sr4Dy8Cu4O20
36
62
489.89
mp-758758
11.626044
7.452201
-2.309174
other
Li8Cu4Si4O16
32
62
336
mp-560574
4.652857
2.69186
-3.618329
other
Hg8C8N8O4
28
62
578.03
mp-1196086
8.77221
1.190441
-3.911893
other
Ca4H96Br8N32
140
62
1,588.22
mp-726237
1.86256
2.851801
-5.090277
other
Rb8Tl4Cl20O4
36
62
1,131.55
mp-622624
12.134538
7.758012
-4.156405
other
Rb8Cr8As8O36
60
62
949.67
mp-569072
-0.617079
0.739887
-2.302213
other
La12B4C8Br8
32
62
714.02
mp-558523
8.54479
2.209815
-0.921363
other
P4Au4Cl4F12
24
62
525.09
mp-758415
12.113581
7.288255
-7.190513
other
Li4Cu4P4O16
28
62
305.29
mp-556393
13.770495
4.331372
-2.291866
other
Rb4Be16B12O36
68
62
732.39
mp-707849
5.69027
3.31615
-4.681445
other
H8Os20C64O64
156
62
2,519.86
mp-1194569
9.523038
6.994926
-3.407112
other
K4Y4Se8O24
40
62
700.9
mp-657233
-2.463866
-0.73553
-5.475532
other
Eu4Tl4P4S16
28
62
726.65
mp-1211012
11.853671
7.292543
0.118102
other
Li4Y4Ge4O16
28
62
365.15
mp-559668
-3.950155
-1.781901
-5.361092
other
Cs8Cd4Bi8S20
40
62
1,277.75
mp-763785
10.693568
1.136864
1.783114
other
Li4Mn8O4F12
28
62
362.39
mp-505037
9.052117
8.924036
2.724242
other
Ba4Ho8Co4O20
36
62
503.15
mp-559238
-3.250344
-1.115113
-5.649942
other
Cs4Li8B4S12
28
62
664.48
mp-1211700
13.326922
4.83545
-1.521223
other
K12Nd4B8O24
48
62
753
mp-648745
8.978508
13.289422
-0.473998
other
Na4Ti4Fe4O16
28
62
307.59
mp-1194869
11.014787
12.086757
-3.648046
other
Nb4Tl4V8O32
48
62
747.38
mp-23700
10.330845
2.62155
-2.560183
other
Rb4H8O4F4
20
62
292.87
mp-1203970
8.547507
3.346553
-6.288587
other
Ce4H4C12O24
44
62
555.33
mp-1200718
1.558051
2.752186
-5.825525
other
Cs8In4Cl20O4
36
62
1,266.11
mp-558558
10.777577
10.976969
-0.181569
other
Ca12W4Cl8O20
44
62
766.38
mp-1181268
5.993255
3.400731
-3.475204
other
Ge4C16N4Cl12
36
62
842.3
mp-1094138
9.183455
8.145054
-5.895701
other
Na4Co8P8O36
56
62
666.33
mp-1192289
9.978218
2.863698
-3.650849
other
Mn4H8Cl8O4
24
62
401.4
mp-1199415
11.930711
12.502084
-2.692387
other
Mn16V8H8O40
72
62
874.88
mp-24266
2.100402
2.100623
1.255196
other
Ca8B4H4N8
24
62
335.31
mp-1224037
-2.92607
-2.395051
-5.68683
other
La8In4Cu4S20
36
62
781.43
mp-1213699
8.919027
0.684087
1.424438
other
Cs4Al4Zn4F24
36
62
537.81
mp-752626
13.831033
12.306934
-2.110449
other
Li4V4O8F4
20
62
240.54
mp-560582
10.895553
9.161759
-4.345897
other
K4Mo4As4O24
36
62
528.06
mp-849759
12.2021
7.153127
-1.559968
other
Li8Si16Ni12O48
84
62
990.69
mp-1192733
11.742979
5.277054
-4.911084
other
Cs4P4H8O8
24
62
444.68
mp-554449
13.482697
7.09249
-5.70683
other
Mn8Bi4P4O24
40
62
551.46
mp-759487
9.666212
12.383665
0.053413
other
Li40Mn8H8O32
88
62
881.96
mp-780878
13.618866
7.197878
-6.92267
other
Li4Mn4P12O36
56
62
824.46
mp-1195211
3.597505
2.723328
0.707493
other
Li4Nd4P16N32
56
62
638.71
mp-1213943
10.705876
7.23192
-2.617624
other
Cd20Si8P4O48
80
62
1,073.99
mp-648069
8.16122
11.288523
1.482187
other
Ca8Ga4Fe4O20
36
62
459.39
mp-1200917
11.080977
11.131412
-2.28523
other
Sm4Bi4W8O36
52
62
763.03
mp-24212
11.758456
4.996826
-5.049772
other
Rb4P4H8O8
24
62
412.17
mp-720583
13.177609
4.248486
-2.797862
other
Na12B12H8O28
60
62
594.82
mp-617247
11.803918
7.047388
-5.074079
other
Cu8Bi4P4O24
40
62
490.88
mp-1207618
9.626898
6.907797
-3.277702
other
Y4Se4Cl4O12
24
62
457.68
mp-739866
5.055464
3.132464
-3.635191
other
Mn4C32Br16N8
60
62
1,617.25
mp-1195207
7.731521
10.791836
1.692039
other
Ba8Y8Fe8O32
56
62
798.7
mp-542317
10.808134
11.183094
-2.383496
other
K8U4W8O40
60
62
970.17
mp-579616
2.763035
2.441984
1.548983
other
La8Si16C4N24
52
62
824.71
mp-726598
1.815924
2.846523
-5.13228
other
K8In4Cl20O4
36
62
1,007.71
mp-1222900
10.96335
9.123238
3.709587
other
La4Zr4N4O8
20
62
287.6
mp-1203164
8.745914
1.606124
-0.796149
other
Al4Co4N4F24
36
62
504.12
mp-1202506
-3.511104
-1.73122
-5.366456
other
Ba8Fe4Bi4S20
36
62
986.02
mp-554481
11.107879
8.116289
-2.513617
other
Ba8Sb16P8O68
100
62
1,509.55
mp-1199829
8.793096
1.184011
-4.068824
other
Al4H60Br12N20
96
62
1,097.95