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-27765
-1.559851
2.366636
-4.870282
other
W12Br32
44
64
1,458.5
mp-2232
4.666499
3.079196
-3.926122
other
C2S4
6
64
215.09
mp-1106198
-4.899305
-5.225078
0.557579
other
Eu10As8
18
64
496.47
mp-1084826
-8.426924
-1.449689
5.37374
other
Nd4Co6
10
64
193.74
mp-600065
15.525653
5.699575
0.338093
other
Si24O48
72
64
1,217.36
mp-651870
6.25871
8.801283
-1.752484
other
Pb24O40
64
64
1,020.74
mp-1102456
-5.954852
-4.367866
1.487031
other
Pu4Sb8
12
64
319.91
mp-1191737
-5.684159
-6.152161
4.457688
other
Li12Al12
24
64
463.63
mp-1207889
-2.049964
2.004923
-3.142049
other
W12I24
36
64
1,361.97
mp-29498
-1.608486
2.935355
-4.996695
other
W12Br24
36
64
1,110.27
mp-1179059
-5.617572
-0.880463
3.151748
other
Te2Mo12
14
64
254.62
mp-1208176
-9.392033
-5.31933
3.122885
other
Zn122Pd16
138
64
2,080.57
mp-570686
-6.599634
-5.898121
1.234409
other
Sn4Bi4
8
64
238.43
mp-683946
-8.566804
-2.614143
4.13362
other
Mg76Ir76
152
64
2,561.03
mp-1198091
-7.853084
-2.284538
3.570911
other
Hf14Ni20
34
64
495.82
mp-23238
-1.294279
1.906967
-2.590062
other
Ta12I28
40
64
1,488.65
mp-600045
15.717458
5.610696
0.411234
other
Si16O32
48
64
895.68
mp-30045
-7.272454
-1.386534
3.496132
other
Co4Ge8
12
64
169.3
mp-1207828
0.532668
3.816617
-5.291372
other
W12Cl24
36
64
962.78
mp-1237690
-6.461717
-7.399731
2.814481
other
Li12Tl12
24
64
542.01
mp-1212463
-8.75736
-6.010521
2.925352
other
Hf14Au20
34
64
638.72
mp-1207440
-7.992553
-3.836989
3.315663
other
Zr14Pt20
34
64
616.16
mp-640708
-6.642855
-1.030507
3.751889
other
Fe8Ge16
24
64
341.61
mp-1101942
-5.96123
-4.759733
1.177788
other
La4Sb8
12
64
373.84
mp-1200988
-8.015613
-4.213145
4.113977
other
Hf14Cu20
34
64
528.09
mp-1198690
-1.954713
1.908758
-3.077981
other
Mo12I24
36
64
1,348.31
mp-32811
-5.907116
-3.136665
-2.735445
other
Ag4Te2
6
64
143.33
mp-656852
12.755906
11.528993
1.924542
other
Ti26O44
70
64
810.85
mp-1192187
-6.050719
-7.418107
2.648124
other
Na12Tl12
24
64
702.49
mp-1077906
6.725646
4.992153
-4.683598
other
C2O4
6
64
82.91
mp-27880
1.307172
2.226728
-3.926152
other
Nb12Cl28
40
64
956.12
mp-1080124
1.967115
2.870123
-4.467133
other
Cd2Cl8
10
64
583.31
mp-569815
-5.958954
-1.952012
5.198517
other
Si16Ru8
24
64
334.77
mp-1102986
-5.857549
-4.483536
1.044644
other
Ce4Sb8
12
64
355.64
mp-1183777
-7.353139
-4.408026
2.67656
other
Co4Sn12
16
64
330.71
mp-1091417
1.417486
2.341507
-0.295435
other
Ag4N4
8
64
119.77
mp-29900
-7.628798
-1.734724
2.978546
other
Ni4Ge8
12
64
178.13
mp-559313
15.732014
5.621903
0.399738
other
Si8O16
24
64
415.73
mp-581951
-9.47396
-4.122428
3.120767
other
Zn106Ni32
138
64
1,855.16
mp-10089
-4.788024
-6.134857
0.931088
other
Ba10Sb8
18
64
757.06
mp-1691
-7.952655
-4.821207
4.74854
other
La4Ni6
10
64
189.18
mp-1095677
-5.68074
-4.354624
0.664463
other
Np4Sb8
12
64
326.47
mp-636525
-7.62398
-2.31634
3.516004
other
Zr14Ni20
34
64
513
mp-2672
7.590607
5.630176
-2.945335
other
K4O4
8
64
150.32
mp-29555
-2.100507
2.228614
-4.727773
other
Mo12Br24
36
64
1,099.44
mp-1095657
-6.089908
-4.581977
1.366167
other
Tb4Sb8
12
64
335.66
mp-29412
-0.942556
0.812113
-3.252628
other
Ta12Br28
40
64
1,164.91
mp-557579
-2.817033
-3.06083
-4.639427
other
La4S4
8
64
299.84
mp-758214
9.675754
2.354147
-0.201533
other
V4F20
24
64
342.56
mp-1191686
-4.250619
-0.178706
2.456883
other
Ir8C16
24
64
242.6
mp-796278
6.518187
13.258082
-2.310132
other
Co2O4
6
64
124.3
mp-1214676
-7.899753
-6.241731
2.394428
other
Cd106Pd32
138
64
2,741.34
mp-557719
-3.291534
-2.105562
-5.547809
other
Pb4S4
8
64
578.98
mp-1182077
-4.894032
-3.508578
-3.551309
other
Bi8Se4
12
64
365.65
mp-620029
0.189342
3.657652
-4.672454
other
Mo12Cl24
36
64
951.06
mp-1178853
8.06136
8.049751
-3.616593
other
U2O8
10
64
160.14
mp-1102202
-6.063172
-4.645333
1.203346
other
Pr4Sb8
12
64
363.03
mp-1755
-8.692168
-5.775648
2.17243
other
Zn4Au12
16
64
266.6
mp-1196555
-5.718231
-7.138367
1.739197
other
K24Tl68
92
66
3,312.44
mp-1195257
4.763507
-0.015626
-3.101529
other
H24S8
32
66
431.33
mp-540904
-1.142939
1.669786
-1.952002
other
Th8I24
32
66
1,402.66
mp-1273363
12.213064
11.942211
0.551436
other
Cr2O2
4
66
50.9
mp-600068
15.75149
5.577315
0.407632
other
Si20O40
60
66
1,241.79
mp-1283577
12.230607
12.145372
0.486324
other
Cr4O4
8
66
100.04
mp-1064456
7.580302
10.711102
-0.977509
other
Cu2O2
4
66
44.21
mp-499
7.372755
9.792796
-1.753277
other
Ag2O2
4
66
57.71
mp-570460
-8.875168
-0.274236
4.878657
other
La2Co10
12
66
174.47
mp-22858
-1.04878
3.062928
-2.993607
other
Tl2I2
4
63
160.44
mp-567519
-0.65848
0.72585
-3.511617
other
Np2Br6
8
63
252.5
mp-1094630
-6.314187
-6.054522
3.593115
other
Mg2Ga4
6
63
116.51
mp-12899
-5.03702
-4.307515
6.202045
other
Ho2Si2
4
63
84.58
mp-558378
-6.618131
-3.760225
-0.022444
other
Pd6S2
8
63
126.49
mp-2626
-8.043859
-2.67621
4.180563
other
Zr6Rh10
16
63
263.7
mp-1039535
-6.534568
-5.960022
5.668471
other
Ce4Mg2
6
63
152.54
mp-1204410
-7.423667
-1.387857
3.71227
other
V16Ir16
32
63
439.31
mp-1104233
-5.578784
-3.679715
-1.362474
other
Ce4Te10
14
63
423.56
mp-11228
-7.356382
-5.848441
6.49369
other
Y2Al2
4
63
99.77
mp-1039534
-6.6957
-5.915523
5.406769
other
Ce4Mg2
6
63
153.88
mp-715617
11.000751
13.280371
-3.571511
other
V12O26
38
63
457.3
mp-12054
-5.233235
0.573654
3.201042
original
Cr4B6
10
63
77.23
mp-8053
-7.739202
-4.467055
6.322691
other
Y2Co2
4
63
82.95
mp-2147
-5.735793
-6.258022
3.871305
other
Sr2Ge2
4
63
115.34
mp-571079
1.410747
2.400581
-5.594931
other
Tl2Cl2
4
63
123.13
mp-11420
-7.869261
-5.824234
5.985955
other
Y2Ga2
4
63
95.54
mp-560402
11.461367
9.127099
1.645383
other
U6O16
22
63
336.25
mp-865323
-7.565018
-6.796231
6.767861
other
Tm4Mg2
6
63
164.88
mp-1379
-3.600959
-1.616127
-5.672771
other
Sn2S2
4
63
127.23
mp-582399
-6.758748
-4.306094
2.493868
other
Pu6Pd10
16
63
327.79
mp-1378486
8.894836
13.135542
-1.174916
other
Fe8O12
20
63
238.12
mp-1066254
-9.036589
-6.479888
3.686324
other
Y2Au2
4
63
95.14
mp-1179861
-5.563325
-7.044207
3.170681
other
Na2Ga2
4
63
112.81
mp-31205
-5.939973
-3.77267
3.94819
other
Zr6Fe2
8
63
159.66
mp-1087495
-5.673341
-0.555414
3.876431
other
Tc6B2
8
63
96.28
mp-16770
-7.866673
-6.963159
2.485086
other
Ca4Ag14
18
63
369.01
mp-1185898
-6.643563
-6.81703
2.890882
other
Mg2In4
6
63
146.08
mp-1063670
-4.346389
-3.317115
-3.964978
other
Pb2Se2
4
63
117.65
mp-568417
-7.373237
-5.862292
6.569798
other
Pr4Al4
8
63
206.21
mp-999305
-8.586782
-5.323318
5.875553
other
Pr2Rh2
4
63
93.03
mp-1104890
-5.76151
-3.573206
-1.608308
other
Tm4Te10
14
63
411.11
mp-1371699
13.084332
10.531668
-0.035403
other
Mo8O12
20
63
289.26