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-636675
-1.11316
2.620166
-3.019983
other
Ga8I12
20
14
790.52
mp-569224
-1.13098
2.171102
-3.149734
other
Sb4I12
16
14
727.18
mp-1191778
-6.962507
-1.842463
6.532057
other
Al18Fe4
22
14
333.21
mp-1180046
-5.110627
-0.852893
-4.446317
other
Ni2S4
6
14
103.51
mp-769108
-4.587076
-1.800976
1.067168
other
Ni6P24
30
14
461.43
mp-1581
11.534307
8.033411
-3.134961
other
As8O12
20
14
336.57
mp-1212833
-1.968871
0.348265
1.977023
other
Er8C14
22
14
305.18
mp-30233
-4.737803
-4.917234
0.130895
other
Na24As56
80
14
2,189.08
mp-1592
-5.937911
-3.166847
-2.69744
other
Ag8Te4
12
14
276.54
mp-603334
7.302265
1.493853
-3.979449
other
H24C48
72
14
743.44
mp-15649
-6.133816
-2.644653
0.752335
other
As8Ir4
12
14
212.13
mp-755820
7.074636
8.373953
-1.139072
other
Nd4O8
12
14
198.89
mp-29907
-6.79
-3.31175
-0.10973
other
Te16Pd36
52
14
949.6
mp-755928
7.055412
10.516384
-1.570564
other
Cu8O12
20
14
218.65
mp-7943
-4.867441
-4.98488
0.403803
other
Li8As8
16
14
287.39
mp-27628
-3.411157
-0.513988
-2.741066
other
Te12Cl8
20
14
653.01
mp-30953
-0.357577
1.280276
-4.196521
other
Ga4Br12
16
14
552.75
mp-573622
-8.151487
-6.448173
6.830046
other
Dy24Co14
38
14
844
mp-581212
-4.834713
-1.679803
-5.770613
other
Cu96S48
144
14
2,160.6
mp-1204039
-4.908326
-6.16824
0.579887
other
Cs16Sb16
32
14
1,528.75
mp-28294
8.22911
2.05387
-0.560428
other
Sb22F86
108
14
1,778.45
mp-1207978
-2.186988
0.378961
2.36423
other
Tm8C14
22
14
300
mp-1209849
-3.853913
-3.818795
0.785403
other
Nd4P8
12
14
260.17
mp-13568
-2.752257
-2.618903
-5.624612
other
Nd4S8
12
14
265.83
mp-1182936
-5.898364
-1.318708
3.853678
other
Al16Mo24
40
14
643.71
mp-1190647
8.810937
2.158714
0.88618
other
Ge6F16
22
14
294.12
mp-570205
-4.100592
-4.182812
-3.766632
other
Pr4Se8
12
14
307.62
mp-29281
-3.795173
-4.007395
0.608153
other
Th24P132
156
14
3,032.72
mp-29369
8.2183
2.089694
-0.645294
other
Sb28F116
144
14
2,391.99
mp-27697
-1.312837
1.874977
-2.093344
other
Th4I16
20
14
873.88
mp-1078816
4.113752
3.171061
-3.9369
other
S4N4
8
14
142.57
mp-7262
-4.857784
-4.633589
0.034508
other
Zn8As16
24
14
558.34
mp-33137
11.651353
11.094567
0.577721
other
Tc4O8
12
14
128.12
mp-23262
9.54819
8.559406
-0.562299
other
Bi8O12
20
14
327.92
mp-16488
-7.093447
-2.557124
6.377959
other
Al18Co4
22
14
322.13
mp-1105631
8.157413
5.757212
-3.292065
other
As8O12
20
14
544.86
mp-1180711
6.70683
6.047164
-3.808708
other
K4O8
12
14
208.46
mp-1200254
8.831439
7.980299
-3.532475
other
U12O40
52
14
896.89
mp-985570
15.310317
5.80651
0.270148
other
Si8O16
24
14
338.53
mp-569655
3.302603
2.534808
0.567631
other
B4N4
8
14
88.88
mp-1198386
-5.914001
-1.272442
3.803024
other
Al16Mo24
40
14
640.22
mp-1214421
5.800298
2.64291
-3.415823
other
C64Cl40
104
14
1,924.14
mp-23216
-0.411622
1.210386
-4.124866
other
Sn4Br16
20
14
791.37
mp-760312
9.700085
2.249651
-0.149514
other
V8F40
48
14
755.56
mp-574070
-5.807144
-6.908387
2.152184
other
Cs16Pb36
52
14
2,380.26
mp-568862
0.69406
2.158246
2.092233
other
Os4N8
12
14
111.86
mp-568483
1.845131
2.582099
-4.444718
other
Nb4Cl20
24
14
684.77
mp-32861
-5.06913
-1.680356
-2.788306
other
Rh6Se16
22
14
436.16
mp-1182590
7.012858
6.162919
-3.961379
other
As8O36
44
14
825.62
mp-29504
7.921044
3.035643
-1.682928
other
Cl4F4
8
14
148.78
mp-10487
-4.99348
-6.141528
0.538346
other
Rb8Sb8
16
14
686.75
mp-504825
1.341265
2.663961
-4.207095
other
Se8Cl8
16
14
509.52
mp-1232280
-2.790651
-2.565408
-5.519156
other
Sm4S8
12
14
256.2
mp-542635
4.564767
3.201862
-3.807449
other
Se16N16
32
14
704.6
mp-1101873
-2.691203
-2.681808
-5.648466
other
Er4S8
12
14
234.68
mp-27990
5.686441
-0.2534
-3.166384
other
B16H40
56
14
491.95
mp-581942
-9.559433
-4.638723
4.080819
other
Ce4Cu24
28
14
405.39
mp-1194773
-3.295499
-1.71332
-5.706999
other
Si12S24
36
14
839.15
mp-31105
-5.401408
-6.220708
0.79189
other
Rb16Bi16
32
14
1,465.04
mp-567617
0.739395
2.375962
1.79167
other
Rh4N8
12
14
113.71
mp-1154
-2.194471
0.370289
2.333901
other
Ho16C28
44
14
620.83
mp-618
-6.715446
-3.613907
0.227957
original
Pd14Se4
18
14
285.46
mp-27864
8.437385
1.988979
-0.840353
other
B4F8
12
14
179.34
mp-641
-2.787093
-0.779573
-4.94267
other
As8S12
20
14
511.45
mp-720515
8.10391
2.033951
-4.204174
other
H20N20
40
14
365.57
mp-23170
7.443968
6.271744
-3.013945
other
I8O16
24
14
392.75
mp-685128
-5.67985
-0.786324
-3.892337
other
Fe14S16
30
14
391.75
mp-15177
-2.208795
0.366875
2.356596
other
Ho8C14
22
14
310.67
mp-570707
-4.199286
-4.132528
-3.751528
other
Nd4Se8
12
14
301.76
mp-1182474
6.138196
5.708974
-3.679751
other
Br4O8
12
14
250
mp-1182387
10.977577
8.004753
-3.509143
other
As12O24
36
14
574.13
mp-22652
-5.428849
-1.028509
-3.820501
other
Fe12S12
24
14
292.33
mp-1214217
4.240676
2.879592
-3.81672
other
C12Cl24
36
14
883.38
mp-1018891
1.789802
2.832147
-4.904029
other
Pd2Cl4
6
14
137.87
mp-556882
14.984965
5.924811
0.089987
other
Si16O32
48
14
613.83
mp-8200
-3.377517
-3.575169
0.43708
original
Ag4P8
12
14
226.42
mp-1201981
6.655684
6.013643
-3.88822
other
Na4O32
36
14
621.13
mp-1080303
-4.283052
-4.199903
-3.367925
other
Ce4Se8
12
14
338.25
mp-1379489
8.979912
2.626677
0.262879
other
Mo4F20
24
14
352.38
mp-23185
8.276198
2.311359
-0.713025
other
Xe2F8
10
14
163.66
mp-15954
-6.203598
-2.455608
0.770848
other
As8Rh4
12
14
209.6
mp-542622
13.617099
7.342905
-4.978822
other
P16O28
44
14
772.13
mp-776343
0.783702
2.816275
1.729498
other
W12N24
36
14
694.79
mp-752602
-0.474268
1.045106
-4.277562
other
Bi4Br12
16
14
605.6
mp-1095335
-5.141443
-0.733969
-5.0365
other
Mn4S8
12
14
230.01
mp-1100468
-3.747634
-8.391771
7.082185
other
Mg8Si4
12
14
226.12
mp-570900
-6.143706
-6.464383
2.111611
other
K16Sn36
52
14
2,040.83
mp-1203337
5.40424
2.853
-3.900071
other
C24S32
56
14
1,195.55
mp-1200550
3.780542
2.846276
0.786
other
P16N28
44
14
544.03
mp-1100466
-2.456585
-5.508244
7.078091
other
Mg4Si8
12
14
231.89
mp-542738
5.148321
2.956287
-3.942551
other
S16N16
32
14
664.99
mp-524
-4.86435
-4.764843
0.205232
other
Ba6As28
34
14
993.32
mp-1195560
7.946277
2.78743
-2.402929
other
C24F40
64
14
789.98
mp-27342
8.878884
2.171195
1.083805
other
Ge10F24
34
14
495.52
mp-17407
8.448553
1.798445
-0.74138
other
Au6F16
22
14
319.92
mp-30092
1.822388
2.571307
-4.732752
other
Ti4Cl16
20
14
629.76
mp-1806
6.803971
5.894088
-3.758188
other
Rb4O12
16
14
307.78
mp-1180500
6.262114
5.35266
-4.387592
other
N4O8
12
14
183.85
mp-570539
-4.752892
-4.942637
0.210331
other
Rb24As56
80
14
2,878.97
mp-1201299
7.367437
8.154795
-3.370156
other
P8O36
44
14
841.88