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-1197580
-6.046786
-7.519636
3.439831
other
Li12Ca34Hg18
64
229
1,923.37
mp-1191848
-8.921205
-1.780822
3.307834
other
Tm6Al4Ni12
22
229
347.75
mp-1192004
-8.620214
-5.075963
3.330672
other
La6Zn4Pd13
23
229
468.51
mp-1195848
-2.947058
-2.199394
-4.292591
other
U12Rh4S30
46
229
1,105.81
mp-1105294
-7.95224
-5.167986
3.13374
other
Ca5Ge6Pd6
17
229
338.93
mp-569590
-6.666846
-3.458586
0.911082
other
Yb4Sb6Rh7
17
229
335.9
mp-541558
-8.170559
-2.756062
4.072755
other
Sc4Ge6Rh7
17
229
268.77
mp-16807
-8.896932
-1.801894
3.236846
other
Dy6Al4Ni12
22
229
346.19
mp-1188432
-7.869143
-4.638132
5.575848
other
Dy4Ga12Pd1
17
229
312.5
mp-1190081
-8.590652
-2.769013
3.802564
other
Ce4Si1Rh12
17
229
280.95
mp-1209061
-8.054558
-2.767313
4.184969
other
Sc4Ge6Ir7
17
229
271.29
mp-1208448
-7.844112
-4.645139
5.608069
other
Tb4Ga12Ag1
17
229
322.06
mp-22326
-6.443654
-2.339992
0.944885
other
Mg4As6Rh7
17
229
264.18
mp-20471
-5.63433
-1.676466
4.486135
other
U4Si6Tc7
17
229
275.52
mp-28167
-0.291934
0.492421
-3.306919
other
Th6Co1Br15
22
229
782.86
mp-1208385
-0.246464
0.510031
-3.294837
other
Th6Ni1Br15
22
229
785.32
mp-1106353
-8.175172
-2.933462
4.109223
other
Er4Ge6Rh7
17
229
286.03
mp-20241
-5.955759
-1.458498
1.016117
other
Mg4P6Rh7
17
229
241.99
mp-1211433
-6.582733
-7.181699
4.038075
other
Li12Yb34Hg18
64
229
1,859.78
mp-16544
-6.457217
-2.423146
1.301951
other
Mg4As6Ir7
17
229
267.96
mp-1147660
8.77191
1.839593
-0.682071
other
Cu3As1F12
16
229
218.54
mp-571331
-7.874324
-4.569168
5.626343
other
Tb4Ga12Pd1
17
229
315.74
mp-1106190
-7.853596
-4.478645
5.647879
other
Er4Ga12Ni1
17
229
301.46
mp-504491
-7.48783
-0.004022
5.400332
other
Dy6Fe16O1
23
229
420.33
mp-1188759
-7.850652
-4.578224
5.634614
other
Tm4Ga12Pd1
17
229
305.84
mp-653981
1.182356
1.76947
-4.197509
other
Zr6Ni1Cl15
22
229
540.73
mp-1189529
-8.087059
-2.884731
4.326976
other
Ho4Ge6Ir7
17
229
295.75
mp-1106026
-7.746403
-4.547421
5.738751
other
Y4Ga12Fe1
17
229
312.06
mp-4577
-8.843565
-1.847239
3.288192
other
Y6Al4Ni12
22
229
350.41
mp-504492
-7.486978
-0.034796
5.414583
other
Y6Fe16O1
23
229
423.45
mp-1106297
-7.723653
-4.47892
5.740692
other
Ho4Ga12Fe1
17
229
306.9
mp-580327
-8.782976
-2.027681
3.209279
other
Gd6Al4Ni12
22
229
353.58
mp-570148
-9.07204
-1.058499
2.621296
other
Y11Ni60C6
77
229
967.92
mp-1191707
-8.429651
-1.86221
3.196344
other
Lu6Si4Ni12
22
229
320.39
mp-1205385
-7.825695
-4.615438
5.620371
other
Dy4Cr1Ga12
17
229
319.8
mp-1192294
-9.014921
-1.82019
3.136674
other
Tm6Ga4Ni12
22
229
342.33
mp-17141
-8.892757
-1.799589
3.319399
other
Er6Al4Ni12
22
229
340.32
mp-1212255
-7.877064
-4.567528
5.616363
other
Ho4Ga12Pt1
17
229
309.55
mp-866669
-5.683975
-7.507833
3.311932
other
Sr34Li12Hg18
64
229
2,315.17
mp-570070
-8.068418
-3.198788
3.910186
other
Yb4Ge6Rh7
17
229
290.94
mp-18222
-8.16689
-2.950055
4.176662
other
Lu4Ge6Rh7
17
229
280.46
mp-1210303
9.244255
7.645314
-2.636241
other
Na6Al8O16
30
229
579.58
mp-1197229
-9.086468
-1.074597
2.663841
other
Er11Ni60C6
77
229
958.59
mp-1212821
-7.884902
-4.557131
5.529976
other
Er4Ga12Pt1
17
229
307.15
mp-1103814
4.599175
2.107947
-2.747047
other
K5C3N6
14
229
263.63
mp-14326
-9.05549
-1.064998
2.645536
other
Tm11Ni60C6
77
229
951.56
mp-1188796
-7.61926
-2.047182
4.856132
other
Sc4Ge6Ru7
17
229
271.9
mp-1191851
-8.625333
-1.674571
3.079688
other
Yb6Si4Ni12
22
229
329.1
mp-1212792
-7.897814
-4.638808
5.577398
other
Dy4Ga12Pt1
17
229
311.97
mp-1203980
-9.063958
-1.058254
2.65884
other
Lu11Ni60C6
77
229
939.21
mp-510548
-7.87077
-4.649689
5.588264
other
Y4Ga12Pt1
17
229
315.18
mp-1188792
-7.185393
-1.299456
3.660205
other
Ti4Co7Ge6
17
229
224.72
mp-1190285
-8.365937
-4.968922
3.253861
other
Ce6Cd4Pd13
23
229
479.4
mp-8792
-9.084197
-0.959373
2.595341
other
Yb11Ni60C6
77
229
936.45
mp-1106196
-7.755079
-4.530558
5.632452
other
Lu4Ga12Ni1
17
229
295.62
mp-1147629
8.912135
1.870895
-0.599006
other
Cu3P1F12
16
229
210.48
mp-1105882
-6.721282
-3.468773
0.799982
other
Tb4Sb6Rh7
17
229
335.4
mp-1106064
-7.806668
-4.519057
5.689567
other
Ho4Ga12Ni1
17
229
304.06
mp-1214851
-6.198619
-1.645624
4.85434
original
Al6Co6Si8
20
229
258.87
mp-568053
-7.897254
-4.579893
5.618315
other
Tb4Ga12Pt1
17
229
314.55
mp-1189490
-7.316821
-2.237512
4.713605
other
U4Ge6Os7
17
229
290.2
mp-18135
-7.545099
-1.474555
3.854998
other
Zr4Co7Ge6
17
229
239.46
mp-1188789
-7.780819
-4.486498
5.794513
other
Tb4Ga12Fe1
17
229
312.25
mp-1191116
-8.843107
-1.916159
2.978769
other
Gd6Ga4Ni12
22
229
356.51
mp-1190853
-8.957658
-1.864423
3.212625
other
Er6Ga4Ni12
22
229
342.44
mp-1190179
-7.874738
-1.674363
4.688428
other
Sc4Co7Ge6
17
229
242.27
mp-1188811
-7.291315
-2.068022
4.721182
other
Lu4Ge6Os7
17
229
280.64
mp-641621
-7.476954
-3.991466
5.132896
other
U4Ga12Co1
17
229
313.42
mp-1190044
-7.281222
-2.09951
4.728117
other
Tm4Ge6Os7
17
229
283.46
mp-642477
-7.450159
-4.015299
5.179657
original
U4Ga12Fe1
17
229
313.58
mp-541504
-6.063098
-1.507957
4.242663
other
U4Tc7Ge6
17
229
287.97
mp-1191827
-8.910738
-1.860802
3.259884
other
Tb6Al4Ni12
22
229
348.54
mp-649213
-0.243147
0.533477
-3.386469
other
Th6Fe1Br15
22
229
780.75
mp-1189271
-7.508013
-5.755076
4.981101
other
Gd4Ga12Pd1
17
229
320.04
mp-1202044
-9.079658
-1.045951
2.646793
other
Dy11Ni60C6
77
229
964.63
mp-1212197
15.361038
5.692162
0.152988
other
Na8Si48O96
152
229
3,268.3
mp-17849
-7.49279
-0.005529
5.401012
other
Ho6Fe16O1
23
229
415.55
mp-1190606
-8.634447
-5.025195
3.25025
other
Nd6Zn4Pd13
23
229
457.48
mp-505213
-4.790578
-7.42215
3.127076
other
Ba6Na16N1
23
229
955.32
mp-1191578
-8.408287
-1.867585
3.185765
other
Sm6Si4Ni12
22
229
348.6
mp-22019
10.356718
9.566156
-0.196578
other
Yb6Sb10O24
40
229
573.3
mp-35718
8.680796
9.959281
-0.196387
other
Ta4Sn1O12
17
229
250.21
mp-1192140
-8.374144
-1.927084
3.225877
other
Gd6Si4Ni12
22
229
344.06
mp-1189162
-8.097092
-2.946714
4.268528
other
Er4Ge6Ir7
17
229
287.18
mp-1190084
-7.400868
-2.284924
4.47697
other
Yb4Ge6Os7
17
229
286.53
mp-1188834
-8.06112
-2.865123
4.32697
other
Tb4Ge6Ir7
17
229
293.54
mp-22062
-6.533591
-2.638169
1.079374
other
Yb4As6Rh7
17
229
291.34
mp-5376
-7.81695
-4.665709
5.564615
other
Y4Ga12Pd1
17
229
316.05
mp-505680
-7.673673
-2.201701
5.078651
other
Lu4Ge6Ru7
17
229
278.71
mp-569508
-8.614962
-5.20567
3.207577
other
Pr6Cd4Pd13
23
229
477.02
mp-1191905
-8.469207
-1.788625
3.220637
other
Dy6Si4Ni12
22
229
329.27
mp-1105833
-7.530229
-1.446886
3.835351
other
Hf4Co7Ge6
17
229
240.32
mp-28618
-7.598773
1.073784
4.521181
other
Y3Fe62B14
79
229
890.68
mp-1213996
2.198668
2.082931
1.357111
other
Ca5B3N6
14
229
202.24
mp-17578
-7.98786
-3.032904
4.029254
other
Yb4Ge6Ir7
17
229
290.66
mp-1189987
-7.782793
-4.553101
5.739474
other
Dy4Ga12Fe1
17
229
309.65
mp-1208365
-0.277537
0.51088
-3.340591
other
Th6Mn1Br15
22
229
800.95
mp-1189689
-6.195155
-2.781142
5.396782
other
Sc4Si6Ir7
17
229
259.29
mp-1212232
-7.834456
-4.551441
5.603753
other
Ho4Ga12Pd1
17
229
310.33
mp-28734
1.228751
1.771458
-4.273282
other
Zr6Co1Cl15
22
229
541.26