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-30411
-8.660542
-5.420035
2.188627
other
Mn9Au31
40
83
673.19
mp-1229159
-7.029036
-5.552448
5.305883
other
Ce19Ga13
32
83
797.77
mp-1048022
12.772714
10.765903
-0.768232
other
W4O9
13
83
181.82
mp-30673
-6.234663
-2.862246
4.516604
other
Ti4Ga6
10
83
154.97
mp-1095060
0.935731
1.92354
-4.987681
other
Na6Cl4
10
83
242.58
mp-600059
15.454471
5.737172
0.333701
other
Si17O34
51
81
853.47
mp-1217665
-5.87074
-3.740555
-1.392186
other
Tb20Te36
56
81
1,686.72
mp-19884
-6.021925
-0.906096
2.123862
other
Mn12P4
16
82
207.27
mp-1796
-5.862582
-4.121689
-2.134195
other
Tl10Te6
16
82
573.08
mp-7806
-6.04746
-0.823689
2.650653
other
Cr12P4
16
82
181.7
mp-667448
15.362962
5.721769
0.125953
other
Si48O96
144
82
2,738.86
mp-1105134
-7.241144
-3.997277
1.28615
other
As4Pd12
16
82
245.81
mp-15964
-5.468204
-3.537741
3.219121
other
Hf12Sb4
16
82
354.14
mp-17728
-5.483742
-2.282948
3.49872
other
Ta12Ge4
16
82
277.05
mp-1793
-5.241072
-3.255805
2.878028
other
Zr12Te4
16
82
367.78
mp-17449
-5.708826
-0.933513
3.779807
other
Tc12P4
16
82
217.23
mp-780625
7.241041
8.358981
-0.898394
other
Tb5O9
14
82
203.42
mp-1207416
-5.406917
-3.736899
3.190888
other
Zr12Bi4
16
82
386.94
mp-850026
6.14783
13.312061
-2.51308
other
Co21O40
61
82
644.93
mp-1106162
-5.334524
-2.372012
2.853315
other
Nb12P4
16
82
266.7
mp-1178773
-7.663853
-0.083703
5.821507
other
Y10Fe20
30
82
482.34
mp-1106195
-5.660794
-0.552648
3.217048
other
P4W12
16
82
238.36
mp-554682
15.598042
5.661838
0.337503
other
Si48O96
144
82
2,828.73
mp-1181327
-7.317564
0.905576
3.676689
other
Fe12B4
16
82
156.33
mp-1080311
-4.265805
-4.985441
-3.418817
other
Ce4Se8
12
82
845.08
mp-1213762
-6.610332
-0.517544
1.915799
other
Co12P4
16
82
172.46
mp-2296
-6.372159
-1.097765
1.119078
other
Ni12P4
16
82
169.86
mp-32640
-2.604005
-2.664065
-5.43543
other
La5S8
13
82
334.69
mp-18708
-6.738264
-0.204762
2.640261
other
Fe12P4
16
82
181.71
mp-554151
15.583007
5.671367
0.397542
other
Si4O8
12
82
190.87
mp-1189099
-5.828931
-0.730498
2.639192
other
Mo12P4
16
82
235.54
mp-760323
10.518059
8.639666
2.854712
other
Ce5O9
14
82
208.32
mp-1205390
-5.534029
-2.712961
3.615623
other
Nb12Si4
16
82
276.86
mp-1105139
-5.357059
-3.416735
3.031136
other
Zr12Sb4
16
82
371.55
mp-1189044
-5.7851
-2.909393
3.712248
other
Ti12Ge4
16
82
267.75
mp-1188112
-7.678602
-3.41429
2.799874
other
Pu4Pt12
16
82
295.45
mp-766493
8.364875
14.343375
-1.622057
other
Mn21O40
61
82
717.48
mp-684620
-4.075952
-0.053416
-3.724642
other
Nb25S48
73
8
1,497.26
mp-1073692
-2.32835
-6.620849
7.648727
other
Mg6Si6
12
8
227.37
mp-684605
-5.490655
-2.99436
-4.463242
other
Cu17Se10
27
8
475.69
mp-1094509
-4.299383
-3.750247
4.576282
other
Mg3Ti3
6
8
117.24
mp-1220310
2.200638
2.058771
1.610486
other
Nd3N6
9
8
167.31
mp-684621
-1.372835
2.391414
-3.128416
other
Cu13I15
28
8
821.62
mp-1075127
-2.296402
-5.771842
7.370841
other
Mg6Si8
14
8
251.14
mp-1094262
-6.50082
-10.957232
5.968883
other
Sr2Mg10
12
8
331.54
mp-1073360
-3.142085
-5.152461
6.706728
other
Mg4Si8
12
8
203.3
mp-1350825
5.333887
11.11033
-2.264172
other
Fe16O32
48
8
576.65
mp-1182234
-7.415741
-1.244821
3.488297
other
Co4Ge4
8
8
112.35
mp-1039430
-5.927735
-9.689454
5.133436
other
Ca3Mg3
6
8
191.57
mp-1215884
-9.554101
-4.337995
3.246664
other
Zn18Fe8
26
8
361.09
mp-632822
-3.41439
1.116971
3.157389
other
Li5B4
9
8
86.63
mp-1094182
-7.208036
-7.225252
6.280313
other
La3Mg3
6
8
179.19
mp-1094166
-7.216741
-7.356958
6.35666
other
La3Mg3
6
8
183.35
mp-976244
-6.244033
-9.245116
4.470125
other
Li3Mg3
6
8
121.39
mp-1073678
-3.140521
-5.141963
6.712978
other
Mg4Si8
12
8
203.4
mp-1222769
-6.274106
-6.195867
3.907304
other
Li4Ga14
18
8
338.44
mp-1187560
-6.221378
-6.780305
1.76336
other
Tl1Sn1
2
8
57.88
mp-1228676
-3.281477
1.821651
2.740463
other
B24P3
27
8
241.26
mp-1179073
7.557184
6.371714
-3.481936
other
V6O16
22
8
459.87
mp-1421453
2.535758
2.196261
1.285231
other
Sn2N2
4
8
65.87
mp-655344
-4.385894
-3.334025
-3.957958
other
Pb2Se2
4
8
233.91
mp-1219574
-4.919584
-6.15762
0.559185
other
Rb5Sb4
9
8
401.3
mp-19457
11.042874
13.316994
-3.526423
other
V12O26
38
8
460.29
mp-1075521
-2.224729
-5.937293
7.424287
other
Mg10Si12
22
8
392.1
mp-1075102
-2.058799
-5.96499
7.440901
other
Mg6Si8
14
8
267.17
mp-1223714
-5.025399
-6.169786
0.556414
other
K5Sb4
9
8
367.13
mp-1044867
6.31137
8.992481
-1.236798
other
Bi12O24
36
8
668.57
mp-1259056
-2.287924
-5.701158
7.339084
other
Mg8Si12
20
8
366.06
mp-1247928
4.478535
2.80899
-4.177762
other
B18Cl18
36
8
1,296.15
mp-1072993
-2.415986
-5.559009
7.330883
other
Mg8Si12
20
8
355.54
mp-1074240
-2.632434
-5.398836
7.085579
other
Mg8Si14
22
8
394.95
mp-685006
12.501916
9.569916
1.808711
other
Ta10O9
19
8
231.15
mp-1226590
-6.92394
-4.35705
5.346145
other
Er12Ge22
34
8
723.97
mp-1094609
-7.104342
-11.014659
5.562219
other
Li1Mg5
6
8
131.46
mp-1094492
-8.516061
-7.303121
3.673843
other
Mg2Zn4
6
8
104.03
mp-1238815
-3.084126
1.801788
2.685529
other
B12C3
15
8
108.29
mp-1039552
-5.893909
-9.569448
5.070024
other
Ca3Mg3
6
8
193.65
mp-1190581
-5.649098
-1.81619
4.693519
other
Re8Si14
22
8
306.67
mp-1094325
-5.050405
-3.076437
4.121586
other
Mg2Ti4
6
8
111.39
mp-1039594
-7.020832
-6.145657
5.490241
other
Ce3Mg3
6
8
153.4
mp-1075405
-2.130978
-5.871646
7.448451
other
Mg10Si12
22
8
402.22
mp-673244
9.532716
8.762919
-0.451196
other
Bi2O3
5
8
91.8
mp-1094556
-5.670273
-5.620888
0.403144
other
Mg2Sb4
6
8
163.48
mp-1073700
-2.332052
-6.734632
7.679269
other
Mg6Si6
12
8
227.46
mp-1215925
-4.241111
-1.920041
-3.201494
other
Zr5Se8
13
8
422.75
mp-1077299
0.554067
2.09644
2.019983
other
Re2N4
6
8
64.48
mp-1216435
-7.601912
-10.104192
6.557306
other
Y11Mg76
87
8
2,115.2
mp-1185831
-6.932156
-10.581991
4.799922
other
Mg5Pb1
6
8
141.24
mp-1228677
1.813694
2.651655
-4.951994
other
Au1Cl1
2
8
67.48
mp-685158
-1.381088
2.375596
-3.107269
other
Cu16I19
35
8
1,043.36
mp-1075413
-1.990947
-6.015455
7.543953
other
Mg10Si12
22
8
413.05
mp-1094497
-7.583067
-8.428317
6.7571
other
Y3Mg3
6
8
171.04
mp-1075399
-2.115896
-5.887113
7.45227
other
Mg10Si12
22
8
399.49
mp-1073306
-2.563864
-5.413281
6.996467
other
Mg4Si8
12
8
223.06
mp-1094246
-6.675323
-6.161158
2.028202
other
Mg1Sn5
6
8
161.93
mp-1094435
-8.097684
-9.551285
4.399575
other
Mg3Zn3
6
8
109.34
mp-1074947
-2.188136
-5.766837
7.404626
other
Mg6Si8
14
8
253.23
mp-715557
11.879304
11.324196
-2.033792
other
W6O16
22
8
269.14
mp-1219555
-5.587352
-1.807599
4.760008
other
Re4Si7
11
8
156.08
mp-1075060
-2.035468
-5.92038
7.494255
other
Mg6Si8
14
8
265.54