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-30969
-8.175641
-6.237199
6.692261
other
Ho24Co14
38
14
824.8
mp-1105406
-3.548541
-4.149151
0.673107
other
Ba4P12
16
14
409.82
mp-1101458
7.092933
8.345114
-1.230246
other
Nd4O8
12
14
218.49
mp-731362
7.407754
7.614231
-3.745589
other
W4O20
24
14
397.53
mp-30544
11.072005
10.802141
-3.594862
other
Mo20O56
76
14
1,202.78
mp-1191262
-8.209538
-3.280451
5.072201
other
Ga18Ir4
22
14
361.55
mp-13961
-5.234137
-4.214581
0.448685
other
Nd4As8
12
14
289.68
mp-15178
-2.274407
0.375088
2.435016
other
Lu8C14
22
14
291.03
mp-1079720
7.391746
9.738188
-1.702342
other
Ag4O4
8
14
107.95
mp-760030
9.866003
2.880363
1.757881
other
V20F44
64
14
996.18
mp-27200
6.429616
0.284709
-3.420235
other
B52H76
128
14
1,251.5
mp-567998
1.26745
2.556556
-4.346279
other
I8Cl8
16
14
599.26
mp-28933
6.816581
5.862728
-3.416247
other
Br16O24
40
14
764.8
mp-637209
5.293874
3.373245
-3.583094
other
As4N36
40
14
591.89
mp-28338
6.699518
9.319528
-2.946158
other
Mn16O56
72
14
1,246.62
mp-755040
7.026013
10.638748
-1.310801
other
Cu8O12
20
14
269.57
mp-1192688
5.19606
3.209071
-3.424918
other
Zn4N24
28
14
387.9
mp-1102082
-4.896177
-3.541731
-3.55988
other
Bi8Se4
12
14
365.78
mp-680550
-3.4275
-3.842257
0.522838
other
Zn8P16
24
14
490.18
mp-570989
1.77036
2.419702
-4.558791
other
U4Cl20
24
14
774.46
mp-1214192
5.336047
2.964051
-3.983959
other
C16S24
40
14
898.84
mp-540922
-6.121878
-2.590056
-1.841373
other
Cr8Te24
32
14
980.18
mp-30529
5.865714
-0.122048
-3.227514
other
B20H44
64
14
657.04
mp-1103431
-7.953719
-5.600078
2.982114
other
Ga8Au4
12
14
221.73
mp-561153
8.175548
2.212427
-0.754356
other
Xe4F12
16
14
296.87
mp-9530
-2.278517
0.424558
2.390481
other
Y8C14
22
14
318.32
mp-1105545
8.212746
9.253263
-2.972443
other
Sb4O12
16
14
232.78
mp-569405
6.255736
0.175806
-3.359347
other
B36H60
96
14
920.03
mp-1645
-7.319749
-3.31121
5.90262
other
Al18Rh4
22
14
350.02
mp-1101783
-6.626988
-4.770161
0.322885
other
Bi8Ir4
12
14
300.64
mp-1147714
-2.674907
-0.433878
-4.899983
other
P8S12
20
14
489.05
mp-1945
-9.713507
-4.790769
4.087549
other
Nd4Cu24
28
14
404.96
mp-9588
-3.592955
-4.151028
0.781977
other
Li8P8
16
14
248.53
mp-541610
-0.317791
1.205806
-4.29484
other
Ge8Br16
24
14
847.87
mp-572670
-2.530429
-0.808791
-5.438919
other
B16S24
40
14
846.71
mp-542604
-2.934026
-0.877741
-4.828462
other
As16S16
32
14
855.58
mp-555096
-2.665648
-2.63633
-5.62118
other
Pr4S8
12
14
271.79
mp-1074730
-3.776335
-8.38319
7.149135
other
Mg8Si4
12
14
244.2
mp-558953
10.234965
8.819734
-0.829722
other
Bi8O12
20
14
355.98
mp-1200885
-2.275478
0.427806
2.385673
other
Y16C28
44
14
635.83
mp-1201338
11.051525
13.330363
-3.513307
other
V12O26
38
14
460.4
mp-2650
-2.547362
-0.388563
-5.157103
other
P16S28
44
14
1,137.92
mp-1195922
-3.531294
-3.934243
0.551978
other
Eu4P28
32
14
670.22
mp-726415
7.6893
5.644382
-2.955203
other
Ba8O16
24
14
432.04
mp-727952
7.347428
6.524246
-3.429518
other
I12O32
44
14
698.83
mp-23305
-1.155596
2.060477
-1.9575
other
Eu4I8
12
14
500.28
mp-32967
-5.349248
-3.461052
2.311322
other
Zr28Sb16
44
14
992.96
mp-1011709
-4.10715
-2.820945
-4.076768
other
Cs8Se4
12
14
541.57
mp-1197907
-1.792928
2.4648
-4.855734
other
W16Br40
56
14
1,929.39
mp-1214237
-0.0758
2.159845
-3.594727
other
C8I16
24
14
995.7
mp-753449
9.670552
2.350898
-0.193917
other
V4F20
24
14
355.98
mp-28860
-3.728133
-2.093975
-3.437526
other
P8Se20
28
14
815.33
mp-1102963
11.574935
13.619679
-2.630179
other
V4O8
12
14
123.38
mp-628742
-5.0344
-6.102471
0.514103
other
Cs20Sb32
52
14
2,387.47
mp-825726
10.658857
11.169415
-3.065251
other
W8O24
32
14
430.89
mp-995198
7.992918
4.3962
-6.093994
other
C4O8
12
14
150.91
mp-1618
-7.88807
-4.11853
1.583841
other
P4Pd24
28
14
421.87
mp-1178386
-5.820991
-3.298331
-1.777877
other
Cs4Te16
20
14
848.74
mp-1078607
-4.611309
-3.221208
-3.561189
other
Bi4Se4
8
14
261.62
mp-352
10.867365
9.79549
3.802663
other
Hf4O8
12
14
136.52
mp-15953
-4.782455
-1.945603
0.886029
other
P8Rh4
12
14
181.01
mp-28319
-1.095443
2.338844
-3.248554
original
Pt4I8
12
14
414.63
mp-568080
-3.954899
-3.999404
0.650093
other
Ce4P8
12
14
261.31
mp-574086
-0.194245
1.243254
-4.081311
other
Si4Br16
20
14
731.86
mp-540943
-2.868058
-0.64672
-3.953766
other
Se8Br8
16
14
556.81
mp-1183667
6.483322
0.37029
-3.456173
other
B64H80
144
14
1,307.32
mp-2753
-3.577065
-1.853462
-5.476724
other
Tl16S12
28
14
812.86
mp-1179626
7.119009
6.039237
-4.351819
other
S4O20
24
14
490.92
mp-850937
10.199369
2.525799
0.333829
other
V4F16
20
14
245.26
mp-1080633
-4.273992
-4.976044
-3.42073
other
Ce16Se32
48
14
2,855.55
mp-2236
-7.453036
-3.351268
4.277388
other
U8Ir8
16
14
328.78
mp-558247
11.326315
10.882066
-3.482911
other
Mo16O44
60
14
971.08
mp-755459
8.257156
8.490124
-0.160496
other
Rb4O2
6
14
185.66
mp-1182327
6.693809
6.094126
-3.730853
other
Ba4O16
20
14
348.55
mp-775
-5.103945
-4.316363
6.055641
other
Er20Si16
36
14
813.71
mp-1201560
-3.424857
-3.887653
0.637916
other
P28Pb4
32
14
718.01
mp-23739
3.8087
-0.57172
-2.616698
other
Si4H16
20
14
274.77
mp-1350597
8.957855
1.191506
1.061128
other
Be16F32
48
14
553.68
mp-2220540
7.679648
10.118068
-3.866828
other
Cr6O16
22
14
327.19
mp-1101193
10.141035
2.485586
0.354112
other
V4F16
20
14
295.12
mp-1224693
-5.359724
-4.133198
3.141937
other
K4U12
16
14
595.56
mp-562001
-3.8943
-6.048879
1.367595
other
Cs44O12
56
14
3,991.75
mp-726666
7.278058
8.263675
-3.195574
other
P4O16
20
14
379.81
mp-1582
11.547049
8.038953
-3.049376
other
As8O12
20
14
319.15
mp-1105223
8.773471
1.565355
1.104658
other
Zr4F16
20
14
239.69
mp-23217
-6.738456
-4.640749
0.30006
other
Bi8Rh4
12
14
297.65
mp-1205121
-5.393072
-6.279599
0.890928
other
Cs16Bi16
32
14
1,628.75
mp-1105302
-3.595119
-4.253443
0.669892
other
Sr6P12
18
14
441.13
mp-540668
-2.644585
-0.728383
-5.402676
other
B16S32
48
14
1,081.32
mp-29147
2.045151
2.951096
-4.398085
other
Mo8Cl40
48
14
1,267.39
mp-28391
2.281175
2.470803
-4.493737
other
Si4Cl16
20
14
606.89
mp-571540
1.582976
2.340561
-5.320308
other
Zn12Cl24
36
14
916.75
mp-556654
15.507805
5.714178
0.351123
other
Si24O48
72
14
1,149.53
mp-1079128
-6.486822
-5.557269
0.439156
other
Cr4Bi4
8
14
202.65
mp-1214172
7.388637
2.648874
-2.944338
other
C32F32
64
14
843.21
mp-567201
-9.739642
-4.773289
4.091969
other
Pr4Cu24
28
14
409
mp-236
5.093287
2.804316
-3.740479
other
S4N4
8
14
163.59
mp-1106279
-0.974381
2.189703
-3.115395
other
Bi4I12
16
14
887.42
mp-1181130
7.157952
7.459313
-3.552438
other
I4O24
28
14
498.12
mp-1200292
15.583779
5.661097
0.331209
other
Si96O192
288
14
5,639.84