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-1183545
8.77142
2.206753
2.166764
other
Ca2F2
4
186
87.11
mp-13286
-5.831889
-5.804934
3.717651
original
Ca2Ge4
6
186
141.15
mp-1183656
3.232303
-0.425137
-2.596902
other
Cd2H2
4
186
58.73
mp-1183988
3.350468
-0.758164
-2.378096
other
Ga2H2
4
186
50.86
mp-7926
-4.647149
-0.85101
-2.94019
other
Ta4Se8
12
186
281.76
mp-1189474
-8.339687
-6.333169
6.658594
other
Y14Rh6
20
186
520.42
mp-24093
3.127613
-0.814809
-2.119189
other
Cu2H2
4
186
31.48
mp-1039
-5.902624
-3.396466
-2.55389
other
Mg2Te2
4
186
135.72
mp-1189638
-8.306563
-6.56144
6.906576
other
Sm14Rh6
20
186
549.19
mp-10643
-3.811916
-4.18733
-3.513543
other
Sm2Se2
4
186
140.84
mp-973976
-0.157076
0.399126
-2.725205
other
Lu2Br2
4
186
111.22
mp-1187517
-4.206984
-5.664274
2.539713
other
Tl2C2
4
186
76.04
mp-567503
-0.939573
2.34628
-3.011493
other
Pb2I4
6
186
268.73
mp-30612
-8.692286
-6.1014
6.314287
other
Er14Rh6
20
186
491.74
mp-1186903
-5.146953
-0.858984
-3.685147
other
Rh2S2
4
186
73.83
mp-1188316
9.525608
8.564694
-0.525849
other
Bi8O12
20
186
301.95
mp-1184565
-4.375414
-4.140072
3.747489
other
Ge2B2
4
186
57.26
mp-569074
-6.843339
-5.718534
5.589371
other
Th14Pt6
20
186
566.28
mp-978928
1.24551
2.281243
-5.051244
other
Sn2Cl2
4
186
106.6
mp-1105837
-8.120466
-5.998651
6.240355
other
La14Ir6
20
186
593.62
mp-973785
1.991259
2.44738
1.13666
other
Pb2N2
4
186
81.41
mp-1106144
-7.348281
-5.300448
5.426711
original
Ce14Rh6
20
186
511.94
mp-567290
2.106234
1.801305
1.658039
other
La2N2
4
186
87.75
mp-1184819
-4.567214
-5.290793
2.812859
other
In2C2
4
186
69.37
mp-1106112
-7.592082
-5.200511
5.259798
other
Ce14Ir6
20
186
518.88
mp-978989
-5.620878
-0.503524
3.837312
other
Tc14B6
20
186
233.19
mp-561286
-4.840724
-1.743105
-6.702487
other
Zn20S20
40
186
782.19
mp-569802
-5.202292
-3.386663
6.081785
other
Si6Ir2
8
186
126.96
mp-1183440
-5.709732
-5.446302
1.603407
other
Bi2B2
4
186
84.71
mp-380
-5.228395
-2.799939
-4.228424
other
Zn2Se2
4
186
90.89
mp-13126
1.181279
1.56322
2.731208
other
Zr2N2
4
186
61.97
mp-1018100
-5.282268
-5.740881
0.583786
other
Al2Sb2
4
186
118.23
mp-1184566
-4.776538
-5.606293
1.432329
other
Hg2C2
4
186
71.1
mp-1018040
-4.757272
-3.660675
-4.107343
other
Mg2Se2
4
186
105.2
mp-1018059
-5.308883
-5.667425
0.307417
other
Ga2Sb2
4
186
115.33
mp-7868
7.945519
10.736316
-0.720686
other
Pt2O4
6
186
72.89
mp-1039121
-4.777301
-7.709589
2.190092
other
Mg2Cd2
4
186
146
mp-10645
-3.881518
-4.182991
-3.499662
other
Tb2Se2
4
186
133.46
mp-866056
2.155688
1.942983
1.761835
other
Ac2N2
4
186
99.88
mp-12779
-6.126307
-3.436658
-2.388065
other
Cd2Te2
4
186
141.34
mp-1187728
-0.81376
1.288831
-2.18149
other
V2I2
4
186
128.1
mp-11714
-1.15581
0.549082
2.362773
other
Si4C4
8
186
82.5
mp-570054
-1.208562
2.84332
-3.005556
other
Cd8I16
24
186
909.15
mp-22894
-1.235942
2.789956
-3.075631
other
Ag2I2
4
186
141.95
mp-1189498
-8.16304
-6.542761
6.802412
other
Nd14Rh6
20
186
566.79
mp-1183171
1.735469
2.411983
-5.011663
other
Au2Cl2
4
186
109.84
mp-1188284
-7.12747
-5.701848
5.460106
other
Ce14Pd6
20
186
526.79
mp-661
2.362221
2.060226
1.874914
other
Al2N2
4
186
42.53
mp-1186364
-5.466912
-2.962919
0.627654
other
P2Pt2
4
186
77.09
mp-1106354
-6.669688
-5.697513
5.339253
other
Ce14Ni6
20
186
464.94
mp-1184482
0.396426
0.719544
-3.004175
other
Gd2Cl2
4
186
111.13
mp-27934
-0.382747
1.187571
-4.318511
other
Cd2Br4
6
186
181
mp-10281
-4.842736
-1.744829
-6.707961
other
Zn4S4
8
186
156.46
mp-1106137
-6.367539
-7.051941
3.440927
other
Eu14Au6
20
186
691.77
mp-616476
-5.617692
-0.95088
-3.913968
other
Fe8S8
16
186
210.66
mp-30770
-7.347832
-1.069965
4.865642
other
Lu2Mn10
12
186
161.78
mp-804
2.293622
2.195203
1.712403
other
Ga2N2
4
186
45.73
mp-570089
-1.208312
2.842662
-3.005477
other
Cd12I24
36
186
1,367.51
mp-1184731
-5.971782
-6.702378
2.223669
other
H2Pb2
4
186
80.13
mp-570935
-1.022594
2.510197
-2.873443
other
Li2I2
4
186
130.39
mp-1183702
0.463026
1.644292
-4.484328
other
Cr2Cl2
4
186
101.44
mp-974474
1.69702
1.873604
-2.318181
other
Re2Br2
4
186
71.58
mp-561258
-4.841297
-1.742993
-6.703518
other
Zn10S10
20
186
390.95
mp-1006282
-7.771209
-6.666891
7.038166
other
Nd14Co6
20
186
526.39
mp-567505
-1.156021
0.565539
2.359386
other
Si8C8
16
186
165.04
mp-971911
1.875212
3.160932
0.25872
other
Zn2N2
4
186
46.61
mp-30422
-5.579216
-7.350441
3.233891
other
Sr14Au6
20
186
771.38
mp-1232236
-4.012633
-4.234722
-3.462228
other
Pm2Se2
4
186
142.41
mp-1105778
-4.993132
-4.273901
1.262857
other
Sc14P6
20
186
397.3
mp-754765
12.410405
11.141712
0.01956
other
Fe4O4
8
186
107.51
mp-971863
-3.150076
-3.813787
0.538495
other
Zn2P2
4
186
79.1
mp-1094992
-6.360229
-8.821408
3.833552
other
Mg2Ga2
4
186
126.49
mp-973933
0.591518
2.740793
1.649205
other
Ni2N2
4
186
40.41
mp-9946
-4.841976
-1.74348
-6.705271
other
Zn6S6
12
186
234.57
mp-18014
-6.061332
-5.559982
5.794911
other
Th14Fe6
20
186
504.26
mp-1920
-5.852014
-1.367744
1.116209
other
Ni20P16
36
186
428.49
mp-849689
12.188287
11.803367
-0.084421
other
Fe12O12
24
190
258.74
mp-1187292
-6.918971
-4.357868
5.524005
other
Tb6Ge10
16
190
343.87
mp-569320
-6.868697
-4.441217
5.47386
other
Sm6Ge10
16
190
360.22
mp-30650
-7.060075
-10.514106
5.024501
other
Mg12Ga6
18
190
353.79
mp-9563
-5.609154
-5.73121
0.594206
other
Li12Sb6
18
190
359.65
mp-1181500
-6.964581
-4.359828
5.502577
other
Dy6Ge10
16
190
339.93
mp-2779
-5.666443
-0.866145
-4.20997
other
Fe12S12
24
190
343.85
mp-1190533
17.157001
9.517859
7.830483
other
Mg12O12
24
192
339.05
mp-1201887
15.625821
5.644508
0.357987
other
Si24O48
72
192
1,449.02
mp-530027
15.525082
5.715232
0.266045
other
Si24O52
76
192
1,448.57
mp-1009732
0.606558
2.340023
1.704604
other
Rh1N1
2
187
21.26
mp-1094197
-6.875579
-10.356378
4.223434
other
Mg4Sn2
6
187
144.66
mp-1223816
-8.510411
-6.07975
2.133439
other
In1Au3
4
187
78.36
mp-1023493
-7.248261
-10.877157
5.491176
other
Li1Mg15
16
187
356.41
mp-1226447
-8.115786
-0.658873
3.622495
other
Co3Ir1
4
187
47.9
mp-1016271
-7.28545
-10.771071
5.485586
other
Mg7Al1
8
187
172.07
mp-1023583
-6.861419
-11.026335
5.954528
other
Ba1Mg15
16
187
403.38
mp-1223722
-6.711622
-6.242774
1.9829
other
In1Sn3
4
187
107.7
mp-1023495
-7.282264
-10.976455
4.914961
other
Mg15Bi1
16
187
365.02
mp-1217407
-6.482792
-0.947851
4.081309
other
Tc3Os1
4
187
56.82
mp-1186637
-6.12368
-6.154413
6.092496
other
Pm1Pa1
2
187
56.85
mp-1228287
-7.433049
-6.97853
3.033073
other
Ba7Cd31
38
187
1,028.36
mp-1185638
-7.302549
-10.833768
5.394455
other
Mg149Te1
150
187
3,411.65
mp-1224131
-7.098733
-7.547716
1.715739
other
K7Hg31
38
187
1,111.46