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-582293
-8.357696
-5.279446
5.422236
other
Tb3In3Ni3
9
189
180.09
mp-12962
-5.478045
-3.558764
3.138479
other
Zr6Fe1Sb2
9
189
193.46
mp-774866
10.116425
0.517304
0.385198
other
Li6Fe4F18
28
190
346.75
mp-28869
-8.283804
-3.163509
2.552537
other
Ga6B8Pt18
32
190
432.49
mp-1214389
9.540051
8.099913
-0.982109
other
Ba2Pb6O8
16
190
337.13
mp-762063
8.315921
10.231351
-0.206824
other
Na8Cu12O10
30
190
425.48
mp-571609
-8.065069
-4.127093
3.644293
other
Hf6Ga6Pt6
18
190
308.22
mp-28485
10.742815
9.128935
-0.902369
other
Sb10I2O14
26
190
542.43
mp-1202362
10.627904
11.608827
2.59883
other
Yb8Ta50O136
194
190
2,481.53
mp-557497
10.944768
11.717618
2.778209
other
Pr4Nb22O60
86
190
1,142.03
mp-607139
-7.650755
-3.733305
3.648089
other
Zr6Sn6Ir6
18
190
346.64
mp-28468
-4.050205
-1.391486
-5.40659
other
K6Ag30S18
54
190
1,219.59
mp-1213399
6.010641
5.155278
-4.164422
other
Cu2N8O6
16
190
223.18
mp-28043
-1.201389
3.030483
-3.038805
other
Tl12Ag4I20
36
190
1,367.35
mp-601253
-7.978227
-4.148366
3.712168
other
Zr6Ga6Pt6
18
190
315.92
mp-1105210
-8.814922
-5.651603
3.635423
other
Sc6Al6Au6
18
190
339.65
mp-2960
-7.762475
-3.924312
3.507287
other
Hf6Sn6Rh6
18
190
335.02
mp-29090
-4.178118
-1.754206
-5.262834
other
Rb8Au12S10
30
190
875.5
mp-30295
1.433314
3.30487
-4.899975
other
W12C2Cl36
50
190
1,280.51
mp-754739
12.727107
5.627966
-1.672208
other
Ca2Be6O8
16
190
159.38
mp-20381
-8.286666
-4.692158
3.480822
other
Hf6Ga6Pd6
18
190
305.41
mp-1194167
9.066268
0.25331
0.838947
other
Cs6Fe4F18
28
190
554.07
mp-557810
9.34502
2.010213
-1.817366
other
Ba4H24F32
60
190
647.32
mp-29341
-4.163227
-1.753963
-5.284492
other
K8Au12S10
30
190
806.32
mp-18198
-7.990563
-4.254618
3.238563
other
Sc6Sn6Pt6
18
190
352.1
mp-4667
-7.586545
-3.875202
3.49232
other
Zr6Sn6Rh6
18
190
342.39
mp-571619
-8.025999
-4.085574
3.689131
other
Hf6Al6Pt6
18
190
310.86
mp-28703
-4.049235
-1.414356
-5.371819
other
Rb6Ag30S18
54
190
1,270.15
mp-1203033
11.580975
5.491714
-2.778311
other
Li12B32O60
104
190
1,128.63
mp-1190337
5.557453
4.946255
-3.956525
other
Ag2N8O6
16
190
355.18
mp-27791
12.584892
5.626665
-1.50294
other
Sr2Be6O8
16
190
162.92
mp-22315
-7.338606
-3.532405
3.530273
other
Hf6Co6Sn6
18
190
306.26
mp-567927
-7.984734
-4.11763
3.680875
other
Zr6Al6Pt6
18
190
319.1
mp-17092
-8.30417
-5.177742
3.108286
other
Sc6Sn6Pd6
18
190
351.11
mp-849579
10.31444
12.23344
-4.184292
other
K2V24O60
86
192
1,566.46
mp-17066
10.037348
9.250059
0.737733
other
Y8Te4O24
36
19
473.67
mp-752526
10.061681
9.270356
0.743151
other
Lu8Te4O24
36
19
444.31
mp-1200436
6.716529
6.666821
-3.707075
other
Hg4Br8O32
44
19
755.17
mp-607841
7.486086
3.490085
-5.554956
other
Tl8C16O16
40
19
717.41
mp-655580
-9.238173
-4.757104
4.135803
other
Ce4Cu16Sn4
24
19
460.09
mp-29946
7.50652
6.444641
-3.223726
other
I4O8F4
16
19
233.38
mp-1193783
7.179675
6.632678
-3.717077
other
Cu4Te4O20
28
19
389.68
mp-1204764
7.586601
6.608369
-2.932698
other
Bi8I16O52
76
19
1,188.65
mp-726614
8.089177
5.065621
-6.428337
other
Y4C4O16
24
19
306.24
mp-1180062
6.93191
6.670963
-4.227979
other
Ni4S4O44
52
19
914.78
mp-1106005
-4.675402
-3.580129
-3.917202
other
Yb4Ag4Se8
16
19
406.14
mp-28108
-6.014061
-3.532298
-2.07007
other
Na16Sn4Te16
36
19
1,170.7
mp-1337174
8.748811
7.957798
-4.41598
other
Cr4As4O20
28
19
359.55
mp-1204655
-4.400655
-3.051965
-3.648673
other
Sr16Sb16Se48
80
19
2,247.19
mp-1220891
-3.599354
-1.505983
-5.618006
other
Rb16Sn32S72
120
19
3,923.23
mp-1224070
0.435534
1.855886
-4.534963
other
Hg4Br4Cl4
12
19
382.23
mp-754661
6.424818
5.02697
-4.438573
other
I4N4O12
20
19
389.9
mp-29318
11.505665
11.193679
-2.743833
other
P4W12O44
60
19
869.87
mp-1197362
7.733469
4.691108
-5.943721
other
Y4C12O32
48
19
803.27
mp-31307
-4.545847
-3.138788
-3.736856
other
Ba32Sn16Se80
128
19
4,080.1
mp-1346171
11.625794
8.015615
-4.548398
other
Ta4As4O20
28
19
408.81
mp-554597
10.013001
10.669559
1.204783
other
La16W8O48
72
19
1,027.47
mp-775758
9.911778
0.658653
0.427321
other
Li8Fe4F20
32
19
408.46
mp-727231
-3.187962
-0.719971
-4.63262
other
Cu4S16N4
24
19
558.7
mp-777252
10.200352
0.503442
0.299165
other
Li4Fe4F16
24
19
292.52
mp-1179359
8.386066
3.483864
-6.396199
other
Sr4C8O16
28
19
397.71
mp-614185
4.821812
3.000051
-3.998846
other
Pb4S8N8
20
19
439.74
mp-27514
1.673738
2.57322
-5.150825
other
Na4Fe4Cl16
24
19
621.73
mp-723402
9.32699
11.285628
-4.064836
other
Ba4V8O28
40
19
713.17
mp-572722
-4.239022
-6.656939
1.463732
other
Cs44Rb28O12
84
19
6,583.4
mp-27579
13.349976
5.191645
-6.76707
other
Na16P8O28
52
19
664.68
mp-570767
-2.713331
0.726692
2.613769
other
Pr20B20C20
60
19
904.99
mp-818615
7.607604
5.28148
-5.382305
other
Mn4C8O24
36
19
546.39
mp-3977
13.802812
4.13886
-2.300521
other
Cs4B12O20
36
19
490.29
mp-27674
11.447751
7.312764
-3.71336
other
K20As12O40
72
19
1,221.58
mp-27897
6.420733
5.089841
-4.455221
other
Ba4N8O16
28
19
457.36
mp-23963
7.523012
6.379384
-3.387418
other
H4I4O12
20
19
269.52
mp-683982
8.527255
2.24065
-1.034354
other
Ru8O8F32
48
19
685.76
mp-1246452
5.162628
2.200876
-2.991868
other
B24C24N56
104
19
2,121.77
mp-30539
10.196937
10.859783
1.022356
other
Y8W4O24
36
19
468.94
mp-697139
3.757535
2.584266
0.873621
other
P4H4N8
16
19
153.99
mp-1219871
-4.4158
-1.726469
-3.734689
other
Pd4Se4S4
12
19
271.03
mp-1189200
-3.330504
-2.374034
-5.87932
other
Tm4Cu4S8
16
19
330.53
mp-1201514
7.813617
9.410426
-2.964577
other
K8Ru4O20
32
19
546.59
mp-626219
8.383362
4.86982
-3.951478
other
H20Cl4O24
48
19
538.56
mp-1204919
8.182247
1.417265
-0.367325
other
Bi8Xe4F48
60
19
1,216.31
mp-29756
13.813269
4.10465
-2.321684
other
Rb4B12O20
36
19
455.95
mp-1190568
10.549161
4.302265
-6.811283
other
Ba4S4O16
24
19
356.08
mp-1208071
6.986289
6.561767
-4.208364
other
Zn4S4O44
52
19
1,051.32
mp-674964
9.500132
0.455897
0.429419
other
Na20Mn12F56
88
19
1,187.69
mp-568090
-2.818812
0.798783
2.582278
other
La20B20C20
60
19
938.35
mp-17095
-4.622631
-2.573422
-3.629664
other
Cs4Cu4Se16
24
19
724.62
mp-1211104
7.958625
7.203131
-4.209403
other
Li4Se4O12
20
19
339.69
mp-632787
3.396692
-0.727757
-2.385012
other
Ca4Al4H20
28
19
261.52
mp-27936
8.582538
1.652084
0.912175
other
Na8Sb4F20
32
19
478.86
mp-559826
-3.354813
-2.361676
-5.810817
other
Er4Cu4S8
16
19
329.77
mp-773512
10.349917
10.874358
1.080773
other
Tm8W4O24
36
19
449.51
mp-756016
9.975206
2.479265
1.543329
other
Li4V4F16
24
19
315.74
mp-27235
9.452948
1.771285
-4.071132
other
H40N16F8
64
19
472.12
mp-1220784
-6.472975
-6.711465
2.286706
other
Na4In4Sn8
16
19
480.46
mp-14367
11.798294
7.414052
-6.147031
other
As4P4O20
28
19
314.91
mp-29926
11.133472
11.192085
-2.837969
other
P4W20O68
92
19
1,340.91
mp-1246589
4.922628
1.995028
-2.524498
other
Bi24C24N56
104
19
1,594.59
mp-568450
3.399555
-0.714198
-2.412007
other
Sr4Al4H20
28
19
293.66
mp-556713
11.286959
11.211581
-2.798784
other
Zr12W24O96
132
19
2,307.68