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-639904
11.445358
9.210227
2.123539
other
Ce12Mo4O28
44
19
626.73
mp-560101
14.79651
8.169051
-5.191458
other
Cr24P16O64
104
19
1,316.24
mp-573702
-0.357219
1.282015
-4.613504
other
Cs4Tl4Br16
24
19
946.15
mp-1215678
-5.709865
-5.692922
0.57804
other
Zn4Cd4Sb8
16
19
447.5
mp-28195
11.648044
7.181751
-2.080273
other
Si4Ag8O12
24
19
337.2
mp-1179474
7.358133
6.390136
-3.788214
other
Se8N4O24
36
19
711.13
mp-764980
10.172351
0.450677
-0.239182
other
Li4Mn4F20
28
19
378.04
mp-779551
0.087185
1.209372
-3.724531
other
Ba16Br24O4
44
19
1,776.83
mp-1209208
7.058078
6.343578
-3.799757
other
Se8N4O24
36
19
695.17
mp-26992
10.813041
8.11044
-7.152914
other
Co4P12O36
52
19
581.47
mp-1190622
7.958258
10.03037
-3.683947
other
Ba4Cr4O16
24
19
366.28
mp-541031
9.300065
1.255578
1.136849
other
Ba4Cr4F20
28
19
390.81
mp-768762
10.054923
9.243835
0.684402
other
Ho8Te4O24
36
19
465.89
mp-1227796
-5.114767
-4.484152
6.067855
other
Ce4Y16Si16
36
19
823.57
mp-1200118
13.506928
9.371047
-4.330534
other
V8As4O24
36
19
396.9
mp-1181462
-4.359159
-4.024185
-3.92796
other
Dy4Ag4Se8
16
19
396.08
mp-26002
10.239105
7.881554
-6.689955
other
Ni4P12O36
52
19
631.68
mp-768909
7.584877
6.536235
-2.862892
other
Sr4I8O24
36
19
642.73
mp-1191408
8.047598
4.933232
-6.297018
other
Ho4C4O16
24
19
305.19
mp-779355
10.289575
0.878339
1.482618
other
Li12Mn4F20
36
19
383.37
mp-559377
8.010363
2.771194
-1.465573
other
I4O4F12
20
19
305.25
mp-1173824
9.526265
0.391065
0.411837
other
Na20Mn12F56
88
19
1,186.8
mp-625927
9.32473
1.916818
-4.159187
other
H20N4O4
28
19
246.86
mp-1201602
8.812612
7.206133
-3.962668
other
Sc8Se12O40
60
19
950.9
mp-767740
14.202639
8.240234
-6.756505
other
V4P12O36
52
19
658.45
mp-769296
10.555409
3.578081
-4.112858
other
Ag4H36O20
60
19
574.55
mp-753030
10.584495
2.345271
-0.37269
other
V4O4F12
20
19
309.72
mp-1182855
-9.263133
-4.696887
4.068323
other
Ce4Cu16Sn4
24
19
414.32
mp-1190793
7.356027
6.17838
-4.550061
other
P4N4O16
24
19
506.56
mp-23380
-1.066549
2.936632
-3.079094
other
Tl12Pb4I20
36
19
1,488.17
mp-554120
-3.453479
-2.23377
-5.82403
other
Dy4Cu4S8
16
19
333.99
mp-766094
11.114934
11.731972
2.085277
other
Nb4O8F4
16
19
253.92
mp-1202483
11.656594
6.8594
-1.433717
other
Cs4Si12O28
44
19
727.18
mp-25310
11.920746
7.685606
-7.475395
other
Fe4P12O36
52
19
637.59
mp-28103
1.950011
2.766904
-4.308137
other
U4S4Cl36
44
19
1,446.8
mp-766131
12.137262
8.03953
-6.368421
other
P16W4O52
72
19
1,035.22
mp-652364
3.60684
2.833543
-4.259701
other
P20N20Cl40
80
19
2,017.37
mp-1192396
8.114585
5.36412
-6.134014
other
Eu4C4O16
24
19
310.52
mp-1100340
-3.400043
-1.657203
-5.661491
other
Ca4Sn4S12
20
19
514.54
mp-1201176
7.541217
6.71205
-3.992542
other
Rb4Se8O24
36
19
742.97
mp-4376
8.978059
1.000701
1.448333
other
Ba4Al4F20
28
19
376.52
mp-1338483
7.148177
9.477427
-1.368681
other
Y16Cu24O60
100
19
1,579.98
mp-770570
10.243232
10.80413
1.006323
other
Dy8W4O24
36
19
467.05
mp-674359
1.402281
2.367156
-5.476434
other
Tl12Pb4Cl20
36
19
1,068.96
mp-642810
8.062378
4.196924
-2.3464
other
H4O4F4
12
19
129.94
mp-759658
9.28151
0.678305
0.668567
other
Li4Ag4F8
16
19
204.5
mp-28569
-0.389817
1.110854
-4.20981
other
Na4In4Br16
24
19
794.86
mp-1198785
-3.285458
-1.710361
-5.331525
other
Eu24Sb24S68
116
19
2,932.5
mp-754712
6.185872
5.143499
-4.471456
other
N4Cl4O12
20
19
317.1
mp-770718
7.599077
6.598275
-3.025149
other
Mg4I8O24
36
19
530.84
mp-726098
6.271186
5.695094
-4.482241
other
Cd4N4O16
24
19
332.9
mp-754304
-1.250892
1.942173
-1.702148
other
Ba4Y4I20
28
19
1,268.75
mp-17691
-4.642602
-1.453579
-5.682286
other
Cu12Sb4S12
28
19
544.03
mp-1367924
11.405763
9.31666
-4.038234
other
Mo4As4O20
28
19
400.39
mp-753200
15.118388
12.334895
-0.899779
other
V4O4F4
12
19
126.75
mp-559530
13.697599
6.470817
-6.83762
other
Ti20P16O80
116
19
1,391.7
mp-1203647
8.32122
6.419086
-5.397148
other
Ce4S4O24
32
19
450.18
mp-625861
8.851693
3.957056
-4.410221
other
H28N4O24
56
19
579.3
mp-780172
10.141074
9.216719
0.652486
other
Tm8Te4O24
36
19
453.97
mp-1199532
7.727465
4.660985
-5.967543
other
Er4C12O32
48
19
772.36
mp-505702
8.645603
4.155886
-6.520582
other
Pb8C4O16
28
19
442.59
mp-14368
10.993945
8.224623
-3.881649
other
Sb4As4O20
28
19
399.32
mp-4044
-4.346823
-4.065169
-3.892883
other
Er4Ag4Se8
16
19
389.76
mp-1212398
-6.666391
-6.683191
2.963346
other
Li8Eu20Sn28
56
19
1,584.97
mp-1220658
7.815453
6.58159
-4.452578
other
Pb12S8O48
68
19
961.06
mp-1203728
9.998932
8.219613
-6.373397
other
Co20P8O48
76
19
817.92
mp-1197151
6.703262
6.649259
-3.767924
other
Cd4Br8O32
44
19
736.73
mp-1220582
-5.0204
-4.095554
5.787231
other
Nd4Sc16Si16
36
19
728.81
mp-625826
10.889352
4.090034
-4.127995
other
Zn4H8O8
20
19
205.34
mp-1191361
8.006235
4.817051
-6.548396
other
Gd4C4O16
24
19
300.85
mp-1197839
7.471766
0.371453
-4.036626
other
B16H64N8
88
19
754.22
mp-776841
10.448811
0.173893
0.38889
other
Li8Mn4F20
32
19
400.19
mp-1197051
6.459733
4.486624
-4.451214
other
C8N16O16
40
19
635.8
mp-1353425
-4.246509
-1.308917
-5.488004
other
Y4Cu12S24
40
19
823.65
mp-26112
13.065632
7.709364
-7.153279
other
Cr4P12O36
52
19
647.43
mp-17583
9.893124
9.281202
0.426275
other
Gd8Te4O24
36
19
491.26
mp-778484
10.090691
10.64903
1.196235
other
La16W8O48
72
19
1,106.38
mp-772264
10.749816
11.268785
-2.239004
other
In8W4O24
36
19
468.02
mp-766254
10.580361
7.909826
-6.938069
other
Cu4P12O36
52
19
611.53
mp-776356
-3.557271
-1.381016
-5.335873
other
Li16Sb8S16
40
19
832.28
mp-1226699
-0.394971
1.511457
-4.812864
other
Cs8Cu4Br12
24
19
1,085.52
mp-850464
11.525532
12.836642
0.197103
other
Li20Cr16O32
68
19
636.27
mp-27365
-4.584971
-3.254066
-3.627329
other
Ba8Bi8Se24
40
19
1,254.16
mp-1331382
11.391883
12.140124
-1.345991
other
Y8V12O36
56
19
660.49
mp-1190761
1.624622
2.350657
-5.235042
other
Na4Ga4Cl16
24
19
621.34
mp-18291
-5.798715
-3.690789
-1.839078
other
Ba8Sb8Te24
40
19
1,480.08
mp-31306
7.710992
3.630509
-4.349481
other
C16O24F16
56
19
812.59
mp-565757
10.163935
10.772442
1.04547
other
Gd8W4O24
36
19
486.08
mp-731683
8.308741
6.39516
-5.452925
other
Zn8S4O24
36
19
470.6
mp-767597
10.208223
0.402377
-0.249556
other
Li4Mn4F20
28
19
367.01
mp-12955
-4.308264
-4.072744
-3.945642
other
Ho4Ag4Se8
16
19
393.01
mp-29381
-5.954465
-3.532165
-1.911547
other
Na16Te16As8
40
19
1,229.82
mp-541629
8.826589
1.178828
1.184973
other
Ba4Ga4F20
28
19
391.85
mp-1245347
5.112837
2.126632
-2.653363
other
Ga24C24N56
104
19
1,248.09
mp-18057
10.325211
10.814605
1.159007
other
Nd8W4O24
36
19
512.79
mp-638137
4.639469
2.903319
-3.657951
other
C8Se8N8
24
19
521.67
mp-28000
11.806618
11.217422
-2.735246
other
P4W8O32
44
19
642.78
mp-768502
10.151915
10.854037
1.00452
other
Lu8W4O24
36
19
440.22
mp-1201386
6.804576
6.029884
-4.10182
other
Se8N8O20
36
19
694.08
mp-765595
13.692773
6.997499
-6.274103
other
Sn4P12O36
52
19
721.7