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-2396
-8.688826
-0.449978
5.028617
other
Ho2Co4
6
227
90.22
mp-1072076
-8.317282
-0.368538
2.999203
other
Fe2Ni4
6
227
70.26
mp-1210095
-7.219787
-6.87548
7.055646
other
Nd8Mg2
10
227
385.7
mp-1077016
-6.418176
-6.786024
2.935524
other
Mg2In4
6
227
163.14
mp-2769
-7.510566
-1.096078
5.566779
other
Ho2Mn4
6
227
93.33
mp-2529
-8.796239
-2.636156
3.975908
other
Pr2Rh4
6
227
111.48
mp-1386044
-5.306196
-0.66498
-4.896372
other
Mn4S8
12
227
223.02
mp-2322
-7.093969
-4.517738
6.477244
other
Y2Al4
6
227
120.88
mp-1067260
-6.495785
-4.720223
4.353272
other
Ca2W2
4
227
82.34
mp-1212417
-7.276631
-6.648016
6.890347
other
Ho8Mn2
10
227
279.63
mp-1388
-8.778751
-2.484899
4.045961
other
Dy2Rh4
6
227
104.93
mp-647533
7.522592
6.456361
-2.193433
other
Sb8O20
28
227
341.34
mp-1186620
-7.937685
-9.044143
6.628995
other
Pm2Mg4
6
227
161.11
mp-16378
-3.38953
-2.270563
-4.698026
other
Ho2S4
6
227
118.03
mp-2337
-8.032048
-1.202835
4.438709
other
Hf2Co4
6
227
81.46
mp-1761
-8.786416
-2.798624
4.086621
other
Lu2Ir4
6
227
103.91
mp-563
6.255394
2.978817
-2.886204
other
C6N8
14
227
78
mp-1212427
-7.752878
-6.624114
6.879599
other
Ho8Co2
10
227
291.68
mp-2109
-8.248212
-3.606344
3.036568
other
Ce2Pt4
6
227
116.9
mp-2404
-6.097618
-5.283671
5.182664
other
Ca2Al4
6
227
127.49
mp-20628
-6.127408
-7.124569
2.887106
other
Na2In2
4
227
97.89
mp-1407236
-5.488971
-0.031806
-5.515231
other
Cr4S8
12
227
218.4
mp-1212888
-7.700965
-6.802222
6.900334
other
Dy8Pt2
10
227
330.2
mp-556597
-4.017611
-1.405746
-5.808731
other
In6S8
14
227
337.93
mp-559450
10.120229
0.62777
0.328327
other
Fe4F12
16
227
276.8
mp-2749
-5.067938
-1.335576
4.596789
other
Ti2Be4
6
227
66.7
mp-1212293
-7.24772
-6.776039
6.799126
other
Ho8Al2
10
227
342.63
mp-1050
-5.477127
-0.80899
-4.046957
other
Ni6S8
14
227
206.81
mp-1106356
3.344608
-0.706279
-2.34495
other
Al4H12
16
227
180.96
mp-1212945
-7.972824
-6.368974
6.51528
other
Er8Ir2
10
227
310.75
mp-1208113
-5.730578
-3.773734
3.664543
other
U8Os2
10
227
239.09
mp-16228
-3.341323
-2.288721
-4.561064
other
Y2S4
6
227
119.99
mp-1208262
-6.356332
-5.94677
5.75331
other
Th8Ru2
10
227
329.83
mp-1213958
-6.135848
-5.824728
5.90206
other
Ce8Fe2
10
227
267.45
mp-1212172
-7.393401
-6.859971
7.294939
other
Pr8Co2
10
227
343.44
mp-20660
-6.525911
-4.130017
5.315225
other
Np2Al4
6
227
122.19
mp-755988
1.636866
1.784595
2.495408
other
Hf6N8
14
227
183.28
mp-1584
-8.469455
-2.795366
3.755152
other
Yb2Ir4
6
227
107.03
mp-20644
-7.472602
-3.524175
2.771895
other
Pu2Pt4
6
227
112.13
mp-1208452
-7.557448
-6.596426
6.736457
other
Tb8Pt2
10
227
331.39
mp-1208417
-5.409625
-3.918723
3.712685
other
Ta8Be2
10
227
184.11
mp-1214044
-5.132285
-7.353186
3.754256
other
Ca8Al2
10
227
436.3
mp-1208441
-5.273846
-3.369688
3.67322
other
Ta8Cr2
10
227
197.07
mp-1215157
-5.541997
-6.093171
4.858619
other
Al54V2
56
227
2,010.71
mp-1208304
-6.113259
-3.214154
-0.858217
other
Te6Pd10
16
227
426.52
mp-1208002
-7.992088
-6.488344
6.843895
other
Tm8Ir2
10
227
308.92
mp-20084
-8.610274
-2.420066
4.035176
other
Gd2Rh4
6
227
106.8
mp-2085
-8.653778
-0.735347
5.014902
other
Pr2Co4
6
227
98.55
mp-1210563
-8.002726
-6.336456
6.559586
other
Lu8Ir2
10
227
299.89
mp-276
-9.221318
-1.516099
2.773083
other
Tb2Ni4
6
227
89.81
mp-1208233
-5.366169
-4.181995
3.476222
other
U8Al2
10
227
263.19
mp-1207594
-6.153488
-7.260317
4.101101
other
Yb8Ir2
10
227
375.98
mp-1072382
-8.91748
-6.765033
5.107781
other
Y2Zn4
6
227
112.97
mp-1208289
-6.115659
-6.259646
5.912333
other
Th8Al2
10
227
365.3
mp-1232269
-3.422289
-2.117601
-4.672113
other
Sm2S4
6
227
122.25
mp-21515
-5.415074
-0.684823
-4.307298
other
Fe6S8
14
227
213.2
mp-17682
-6.011397
-3.569828
4.025311
other
Zr16Fe8
24
227
449.2
mp-571183
-7.755543
0.036224
5.815081
other
Tm2Fe4
6
227
94.76
mp-1077708
-6.718956
-0.385325
4.026054
other
Cr4Fe2
6
227
71.4
mp-1211180
-5.854702
-6.782133
3.096961
other
Li8Pt2
10
227
218.95
mp-1100782
-7.143668
-9.752626
5.946925
other
Yb2Mg4
6
227
167.44
mp-1214027
-6.756553
-5.70903
5.636487
other
Ce8Ru2
10
227
285.13
mp-1209749
-7.146236
-6.931479
7.270975
other
Pr8Mg2
10
227
387.83
mp-1208281
-5.251049
-3.258313
4.042058
other
Ti8Be2
10
227
174.31
mp-2016
-8.98998
-1.507905
2.7191
other
Pr2Ni4
6
227
96.81
mp-2679804
0.893121
2.874509
1.614388
other
W4N8
12
227
316.36
mp-20111
-6.295732
-5.202403
5.528451
other
Eu2Al4
6
227
130.62
mp-2725
-8.771999
-2.680675
4.060308
other
Tb2Ir4
6
227
107.68
mp-19923
-7.071878
-4.7747
6.499377
other
Gd2Al4
6
227
122.53
mp-569364
-5.215194
-1.343752
4.701792
other
Be44Re2
46
227
380.37
mp-715
-8.364462
-2.503653
4.205035
other
Zr2Ir4
6
227
102.85
mp-1043
-6.293133
-1.736079
4.186448
other
Hf2V4
6
227
96.83
mp-11644
-5.457268
-7.118055
3.649817
other
Li4Ca2
6
227
169.8
mp-1214057
-5.298499
-7.175999
3.534932
other
Ca8Pt2
10
227
396.4
mp-985556
-8.285769
-2.921392
2.34091
other
Cd12Ni12
24
227
367.65
mp-2708
-8.88175
-1.800882
2.922768
other
La2Ni4
6
227
97.51
mp-1127
-8.26186
-3.41968
2.70136
other
Sm2Pt4
6
227
114.69
mp-1209426
-7.520814
-6.908144
7.140829
other
Pr8Pt2
10
227
370.84
mp-1077706
-6.579204
-0.586481
3.884797
other
Cr4Co2
6
227
69.87
mp-2579
-8.266214
-3.403941
2.720168
other
Ho2Pt4
6
227
110.74
mp-30430
-4.742753
-7.241921
3.379575
other
Ba40Ga4
44
227
2,601.21
mp-1213581
-7.400277
-6.705812
7.08745
other
Ho8Fe2
10
227
279.98
mp-1191706
-6.786742
-3.350553
4.018962
other
Zr16Ir8
24
227
488.61
mp-943
-5.591388
-0.70379
-3.913786
original
Co6S8
14
227
212.52
mp-1214097
-6.302921
-6.408286
5.946046
other
Ce8Mg2
10
227
330.73
mp-1210993
-6.618651
-6.826538
3.124352
other
Li4In8
12
227
288.93
mp-30708
-8.341014
-1.921121
3.348445
other
Hf2Ni4
6
227
80.44
mp-623827
-8.561887
-2.840951
3.799008
other
Eu2Rh4
6
227
110.26
mp-2385
-6.312987
-1.178767
4.296646
other
Ta2Cr4
6
227
82.05
mp-504100
6.86975
11.286416
-1.29203
other
Cu4O8
12
227
140.25
mp-928
-8.799426
-2.775152
4.034353
other
Ho2Ir4
6
227
106.36
mp-1211134
-5.620769
-5.754861
4.87721
other
Li4Al8
12
227
220.55
mp-603
-5.121638
-1.706786
4.430274
other
Be4Ag2
6
227
65.32
mp-1063660
-4.221648
-6.592319
2.287115
other
Cs2Al2
4
227
145.79
mp-1207779
-7.601976
-6.599361
6.802464
other
Y8Ir2
10
227
328.65
mp-1210471
-6.526493
-6.908396
2.138706
other
Pb8Au2
10
227
343.2
mp-1209640
-7.591837
-6.665946
6.957439
other
Tm8Ni2
10
227
285.95
mp-1067
-5.802551
-6.203766
4.615923
other
Li2Al2
4
227
63.31
mp-669699
-5.687441
-2.605505
3.545646
other
Nb20Ni4
24
227
424.49
mp-1210553
-7.266883
-6.695767
6.699555
other
Lu8Al2
10
227
324.62