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-818569
7.485075
8.186893
-3.744274
other
Fe4As3O16
23
215
495.22
mp-21827
-4.946603
-2.812406
-4.058463
other
In18Cu8Se32
58
215
1,664.43
mp-1019379
3.312892
2.56502
0.774172
other
Al1B3N4
8
215
56.67
mp-510741
5.496698
3.471443
-4.612229
other
Co1C4O4
9
215
191.63
mp-1245768
2.462873
2.687655
-3.210095
other
Mg4Cd2N4
10
215
498.21
mp-1193879
9.010715
7.686885
-3.19645
other
K3Ge7O20
30
215
465
mp-605824
8.323485
4.479592
-6.26313
other
Cs4C1O4
9
215
242.99
mp-755309
-3.669955
-0.887309
-5.396748
other
Li3Nb1S4
8
215
221.46
mp-1188448
-7.936378
-6.516767
4.223827
other
Li8Mg4Ir4
16
215
240.05
mp-28040
5.443179
-0.438904
-2.988139
other
Hf1B4H16
21
215
214.14
mp-10748
-4.547864
-1.195092
-5.6215
other
Ta1Cu3S4
8
215
165.16
mp-1078597
-5.068871
-2.867115
-4.053592
other
Zn1Cd3Se4
8
215
218.41
mp-5513
-3.488675
-0.941916
-5.557761
other
Tl3V1S4
8
217
218.28
mp-504884
-4.632439
-1.410832
-5.450252
other
Cu12As4S12
28
217
494.82
mp-1185753
-6.352119
-8.279379
5.863899
other
Mg16U1Al12
29
217
581.89
mp-1185710
-6.033045
-8.36356
5.611142
other
Mg16Al12Sn1
29
217
587.74
mp-1203385
-3.019676
0.833897
2.595633
other
Lu10Mn13C18
41
217
488.57
mp-769032
-3.634046
-0.858008
-5.379208
other
Li12Nb4S16
32
217
548.15
mp-2868
-2.728325
0.432224
2.470814
other
Th11Ru12C18
41
217
630.52
mp-1185729
-6.071907
-8.305921
5.690204
other
Mg16Mn1Al12
29
217
572.67
mp-973970
-6.084962
-8.439343
5.684664
other
Li1Mg16Al12
29
217
582.15
mp-9911
-3.504676
-1.507174
-5.337666
other
K3Sb1S4
8
217
233.28
mp-1185654
-6.022609
-8.457599
5.686739
other
Mg16Al12Cl1
29
217
592.78
mp-1214131
9.294367
7.668828
-2.043406
other
Ca4Al6O16
26
217
370.83
mp-983411
-6.178871
-8.202156
5.784863
other
Lu1Mg16Al12
29
217
583.51
mp-1197004
-3.003292
0.881766
2.571233
other
Tb10Mn13C18
41
217
513.34
mp-726700
-3.546417
-1.364453
-5.346454
other
K12Te4S16
32
217
1,101.24
mp-504753
-4.676009
-1.375473
-5.501019
other
Cu12As4S13
29
217
521.57
mp-779453
9.260736
9.122694
0.28367
other
Ba4Na24O16
44
217
764.54
mp-1095369
-8.091265
-3.615823
4.439172
other
Sr3Ga4Ir4
11
217
233.59
mp-11285
-8.346626
-3.531158
4.210752
other
Ca3Ga4Ni4
11
217
196.7
mp-11176
-5.610023
-3.012813
5.649678
original
Ca3Si4Ir4
11
217
205.23
mp-1213205
-2.986076
0.715346
2.606448
other
Dy11Mn12C18
41
217
521.67
mp-568548
-9.014784
-1.097548
4.384685
other
Mg10B16Ir19
45
217
593.19
mp-768273
11.534135
8.060941
-2.047351
other
Gd6As10O24
40
217
597.88
mp-647606
-4.69627
-1.338904
-5.620734
other
Cu12Sb4S12
28
217
513.21
mp-1186061
-6.09097
-8.487219
5.740914
other
Na1Mg16Al12
29
217
591.72
mp-771762
10.821068
9.135859
0.479814
other
Ho6Sb10O24
40
217
615.87
mp-1208503
10.738658
9.240965
0.639961
other
Tb6Sb10O24
40
217
628.04
mp-1185732
-6.182195
-8.193259
5.788752
other
Mg16Ta1Al12
29
217
567.53
mp-1095238
-7.916785
-3.26451
4.425127
other
Eu3Ge4Ir4
11
217
230.93
mp-768450
10.827924
9.207106
0.624427
other
Tm6Sb10O24
40
217
604.04
mp-972591
-6.25321
-8.215556
5.826759
other
Sm1Mg16Al12
29
217
587.94
mp-21199
-7.760012
-4.44468
3.17137
other
Na3Ge4Pt4
11
217
222.58
mp-1185665
-6.04553
-8.246631
5.652827
other
Mg16Al12Ga1
29
217
583.58
mp-8703
-4.543852
-2.786025
-3.556528
other
Na3Sb1Se4
8
217
210.17
mp-1185734
-6.193918
-8.191894
5.782156
other
Mg16Ti1Al12
29
217
559.22
mp-975395
-6.248164
-8.185973
5.833867
other
Nd1Mg16Al12
29
217
589.72
mp-1185626
-6.046942
-8.425907
5.680476
other
Mg16Al12Cd1
29
217
588.62
mp-31488
10.237466
12.412544
1.20888
other
Li12Nb4O16
32
217
298.11
mp-1212582
9.500531
7.881041
-1.54591
other
Eu4Al6O16
26
217
363.34
mp-1187472
-6.27788
-8.317597
5.873202
other
Th1Mg16Al12
29
217
594.38
mp-768638
10.763648
9.2103
0.525551
other
Dy6Sb10O24
40
217
622.17
mp-1194643
-6.918612
-3.901286
5.684953
other
Al30Ni6Ge8
44
217
742.8
mp-1199972
-3.124863
0.810371
2.607633
other
Ho10Mn13C18
41
217
506.23
mp-756935
10.613074
10.514734
-0.077679
other
Li12Sb4O12
28
217
312.76
mp-505046
10.601501
9.205222
0.424151
other
Gd6Sb10O24
40
217
640.41
mp-1185725
-6.37842
-8.291157
5.935706
other
Mg16Pa1Al12
29
217
584.48
mp-1091384
-3.459689
-1.363974
-5.545774
other
Nb1Tl3S4
8
217
231.92
mp-1184190
-6.217059
-8.204791
5.806536
other
Er1Mg16Al12
29
217
585.31
mp-1197605
-3.053948
0.813817
2.599584
other
Y10Mn13C18
41
217
514.87
mp-1095240
-7.99315
-3.217831
4.435191
other
Ca3Ge4Ir4
11
217
218.74
mp-27914
9.344438
9.03815
-0.007722
other
Na12Bi4O12
28
217
441.36
mp-772087
10.762077
9.182832
0.569242
other
Er6Sb10O24
40
217
609.66
mp-1187106
-6.121136
-8.466757
5.78583
other
Sr1Mg16Al12
29
217
601.99
mp-1185746
-6.216502
-8.237857
5.76083
other
Mg16Np1Al12
29
217
578.7
mp-1185720
-6.050817
-8.386045
5.6723
other
Mg16Al12Zn1
29
217
580.83
mp-22418
-7.869472
-4.124765
3.56569
other
Sr3Sn4Ir4
11
217
268.31
mp-569571
-5.433946
-2.330425
-0.922413
other
Nb6Sb4Te10
20
217
486.26
mp-1185650
-6.006207
-8.514337
5.538419
other
Mg16Al12Bi1
29
217
596.46
mp-1211710
10.53258
9.268881
0.766426
other
La6Sb10O24
40
217
695.43
mp-755260
13.592196
4.357916
-2.371354
other
Cd4B6O13
23
217
245.74
mp-971834
-6.227722
-8.216575
5.806599
other
Y1Mg16Al12
29
217
584.68
mp-10167
-3.449044
-1.409976
-5.339421
other
Na3Sb1S4
8
217
184.07
mp-985584
-2.37021
-0.725207
-5.532828
other
Na3P1S4
8
217
167.61
mp-28617
10.801066
9.51099
-0.272629
other
In6Sb10O24
40
217
591.1
mp-505043
10.073345
9.403294
0.266476
other
Eu6Sb10O24
40
217
674.26
mp-1120727
-4.692805
-2.342733
-3.668152
other
Ta1In3Se4
8
217
251.2
mp-29524
9.06889
8.51962
0.002747
other
K12Bi4O12
28
217
612.52
mp-1214544
-6.131136
-6.244829
3.668612
other
Ba4Ga22Sn1
27
217
678.55
mp-1185718
-6.037624
-8.425636
5.660187
other
Mg16Al12Te1
29
217
595.56
mp-1198824
-3.163184
0.823189
2.589737
other
Er10Mn13C18
41
217
502.5
mp-8076
10.169187
9.21082
0.085709
other
Na12Sb4O12
28
217
420.86
mp-3154
10.659315
9.251871
0.622038
other
Sm6Sb10O24
40
217
650.98
mp-27623
9.372238
9.086319
0.222755
other
Na24Pb4O16
44
217
721.36
mp-972924
-6.283783
-8.301029
5.86263
other
La1Mg16Al12
29
217
593.62
mp-1185726
-6.177215
-8.228339
5.775458
other
Mg16Sc1Al12
29
217
580.38
mp-849528
5.522871
10.254084
-2.138961
other
Li12Fe4O16
32
217
258.1
mp-1176353
7.487857
10.490861
-0.580818
other
Na12Co4O12
28
217
441.17
mp-504776
-3.865705
-3.756005
0.894332
other
Ce6P17Pd6
29
217
549.77
mp-1078419
-4.287019
-2.797868
-3.572705
other
Na3P1Se4
8
217
192.44
mp-1185715
-6.012019
-8.396729
5.731028
other
Mg16Al12Tl1
29
217
593.1
mp-17684
-4.059645
-3.286073
0.959238
other
La6Ni6P17
29
217
528.33
mp-1025549
-4.729665
-2.626961
-3.769169
other
Tl3V1Se4
8
217
240.83
mp-1185657
-6.101505
-8.361864
5.69414
other
Mg16Al12Cr1
29
217
578.62
mp-1193687
-4.093973
-3.450066
0.994696
other
Ce6Ni6P17
29
217
500.57
mp-10644
-4.550917
-3.03303
-3.77197
other
Ta1Tl3Se4
8
217
252.85
mp-1186688
-6.272747
-8.262617
5.852427
other
Pr1Mg16Al12
29
217
594.47
mp-638558
-6.361083
-6.799445
2.429143
other
Na10Eu1Sn12
23
217
706.97
mp-774357
8.998304
9.790427
0.099265
other
Na24Co4O16
44
217
624.1