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-1182893
10.193969
7.982401
-1.00098
other
Al10O16
26
186
244.11
mp-1106086
-8.159595
-6.570506
6.891023
other
Pr14Rh6
20
186
582.78
mp-1184548
3.033198
-0.414421
-1.963041
other
H2Pd2
4
186
37.44
mp-1106174
-8.388196
-6.205638
6.54788
other
Tb14Rh6
20
186
515.37
mp-549706
16.731539
9.641592
7.487178
other
Mg2O2
4
186
47.22
mp-569346
-1.306459
2.511927
-3.241935
other
Cu2I2
4
186
108.99
mp-574272
-5.889924
-7.225717
3.398327
other
Ca30Pb18
48
186
1,620.54
mp-569819
-6.530541
-5.849771
5.871811
other
Th14Os6
20
186
553.08
mp-1187584
-0.198466
0.395014
-2.64198
other
Tm2Br2
4
186
112.91
mp-999517
0.549539
2.460882
1.882884
other
Mn2N2
4
186
39.81
mp-2133
10.385814
9.009528
0.102428
other
Zn2O2
4
186
47.4
mp-1185301
9.913278
0.77904
1.116423
other
Li2F2
4
186
39.01
mp-978495
-4.172272
-4.596449
5.677325
other
Si2B2
4
186
51.17
mp-1229277
-7.868613
0.898787
4.913859
other
Ba2Fe24
26
186
406.5
mp-1183149
-2.80729
-8.099743
1.318456
other
B2Au2
4
186
63.11
mp-1106336
-8.6417
-6.208911
6.600535
other
Ho14Rh6
20
186
500.45
mp-567542
-0.938313
2.348747
-3.021942
other
Pb4I8
12
186
542.84
mp-1007661
-5.405447
-5.76161
0.438532
other
In2Sb2
4
186
141
mp-966800
-3.480717
-4.163105
0.654236
other
In2P2
4
186
102.91
mp-2811
0.352826
2.031808
2.469471
other
Mo8N8
16
186
161.2
mp-561196
-4.841009
-1.742785
-6.702772
other
Zn14S14
28
186
547.33
mp-973936
-0.903096
2.310773
-3.252369
other
Ni2I2
4
186
97.89
mp-2562
-5.054984
-1.131255
-5.392951
other
Mn2S2
4
186
85.86
mp-1107
-6.66395
-5.850514
5.78805
other
Th14Rh6
20
186
547.4
mp-1187503
-3.311565
-4.338385
1.006699
other
Tl2P2
4
186
114.49
mp-1184550
-0.96097
0.446598
1.742767
other
Ge2C2
4
186
48.61
mp-1105619
-7.66525
-6.617712
6.792571
other
Nd14Ni6
20
186
542.82
mp-8881
-4.699006
-4.821341
0.295866
other
Al2As2
4
186
91.25
mp-978886
-5.570533
-5.688395
3.153199
other
Sn2B2
4
186
75.28
mp-999355
0.923496
1.730367
2.683878
other
Nb2N2
4
186
53.81
mp-1186908
-0.055865
1.611268
-4.222482
other
Rh2Br2
4
186
85.64
mp-975142
-1.057338
2.598387
-3.171118
other
Rh2I2
4
186
108.02
mp-999503
0.195067
2.136021
2.264079
other
Mo2N2
4
186
47.95
mp-1105892
-7.960171
-6.653126
6.782175
other
Sm14Pd6
20
186
569.66
mp-1184046
0.959348
1.991291
-5.313383
other
Cu2Cl2
4
186
76.98
mp-24669
3.057271
-0.221293
-1.679637
other
Cr2H2
4
186
29.65
mp-1106268
-7.807241
-6.614458
6.809744
other
Pr14Pd6
20
186
600.96
mp-1080309
-4.238914
-4.409048
-3.415173
other
Ce4Se8
12
186
388.81
mp-1097929
-5.389296
-4.474717
4.171068
other
Hf2Mg2
4
186
90.94
mp-573855
-7.307662
-6.216736
6.307141
other
La14Ni6
20
186
569.4
mp-28248
-1.207497
2.841635
-3.007393
other
Cd2I4
6
186
231.51
mp-560725
-4.84093
-1.742626
-6.702485
other
Zn16S16
32
186
625.48
mp-1189759
-8.459725
-6.475377
6.758438
other
Pr14Ir6
20
186
580.46
mp-8883
-4.677242
-4.903426
0.057522
other
Ga2As2
4
186
90.97
mp-580941
-1.213395
2.835597
-3.108696
other
Ag4I4
8
186
268.4
mp-1184809
12.018679
9.55599
0.817466
other
In2O2
4
186
71.76
mp-1181864
2.39425
2.163464
1.707753
other
Ga4N4
8
186
92.51
mp-1042978
11.823875
11.111833
-1.979611
other
W6O16
22
186
335.76
mp-975657
3.014728
-0.421187
-1.857055
other
Pr2H2
4
186
80.98
mp-1067451
-1.932118
-8.132444
2.09489
other
Tc2B2
4
186
2,933.69
mp-567551
-1.155837
0.557445
2.360955
other
Si16C16
32
186
330.06
mp-1188890
-8.373429
-6.344821
6.400681
other
Y14Pt6
20
186
540.93
mp-1187162
8.776173
2.135682
1.961305
other
Sr2F2
4
186
106.27
mp-1017539
10.437105
9.149079
0.238773
other
Zn2O2
4
186
49.08
mp-973676
-3.840601
-1.472158
-5.699762
original
Hg2S2
4
186
104.77
mp-974315
-1.134203
2.02978
-2.734575
other
Ru2I2
4
186
104.49
mp-8880
-3.315537
-3.95614
0.869207
other
Al2P2
4
186
81.97
mp-1185942
-3.786365
-1.776894
-5.725182
other
Mg2S2
4
186
90.68
mp-7631
-1.155941
0.560108
2.360515
other
Si6C6
12
186
123.77
mp-8884
-6.155151
-3.295183
-2.368365
other
Zn2Te2
4
186
114.26
mp-22205
2.156982
2.084981
1.234548
other
In2N2
4
186
62.59
mp-7132
-3.844897
-4.263979
-3.660047
other
Dy2Se2
4
186
126.51
mp-13119
9.397462
8.795755
0.030212
other
Cd2O2
4
186
65.87
mp-981262
8.605893
1.911117
1.888968
other
Yb2F2
4
186
80.9
mp-570557
-7.247171
-0.664041
3.926961
other
Nb6Co18
24
186
298.46
mp-1189031
-7.880667
-6.004751
6.270319
other
La14Rh6
20
186
597.95
mp-864928
1.897471
2.686721
-4.191913
other
Br2Cl2
4
186
159.52
mp-570119
-7.49186
-6.307185
3.544612
other
Yb14Au6
20
186
601.5
mp-2542
12.401634
6.032055
-1.622458
other
Be2O2
4
186
27.51
mp-984728
-2.869507
1.260727
2.483625
other
B2C2
4
186
27.09
mp-972036
0.189281
2.024346
2.24808
other
W2N2
4
186
47.76
mp-1106115
-7.992276
-6.48671
6.62873
other
Nd14Pd6
20
186
584.99
mp-1183947
-4.799772
-7.419476
3.373996
other
Cs2Ac2
4
186
229.43
mp-573601
-6.71273
-5.739995
5.873457
other
Th14Ru6
20
186
543.25
mp-976280
-0.195495
1.545466
-4.335318
other
Li2Br2
4
186
99.34
mp-1184749
-5.28084
-1.600775
-2.869045
other
Ir2Se2
4
186
85.93
mp-755489
8.106175
14.324607
-1.697268
other
Mn8O16
24
186
239.13
mp-1018018
1.043324
2.294624
1.039881
other
Pd2N2
4
186
53.14
mp-1189469
-7.577215
-6.607591
6.858959
other
Pr14Ni6
20
186
549.26
mp-1106063
-8.1633
-6.507236
6.595081
other
Pr14Pt6
20
186
596.02
mp-30809
-6.227114
-5.728252
5.551362
other
Th14Ni6
20
186
518.14
mp-9984
-3.897321
-1.198536
-5.686031
other
Sn2S4
6
186
144.39
mp-1184774
0.74425
2.111476
1.664942
other
Ir2N2
4
186
46.71
mp-1105567
-8.171093
-6.394546
6.33508
other
Nd14Pt6
20
186
586.42
mp-1214343
-7.441196
-5.589383
5.367859
other
Ce14Pt6
20
186
485.42
mp-1181742
-1.038063
2.680166
-2.99822
other
Cr2I4
6
186
209.47
mp-1043013
7.78771
10.485891
-3.469264
other
Cr6O16
22
186
298.5
mp-974469
-5.712655
-2.294064
-0.789055
other
Re2Te2
4
186
83.53
mp-984598
-4.1098
-1.553754
-5.305605
other
Au2S2
4
186
91.34
mp-17535
-7.378041
-1.074836
4.322259
other
B6Ru14
20
186
227.52
mp-1105105
1.937675
2.487386
-3.701321
other
I10N4
14
186
610.79
mp-1094902
-6.353428
-7.101835
5.332818
other
Y2Mg2
4
186
172.46
mp-978534
-3.845433
-4.68238
5.797505
other
Si2Ge2
4
186
85.17
mp-19128
8.199169
12.452183
-1.331096
other
Co2O2
4
186
46.3
mp-1178514
9.076135
8.93797
1.671531
other
Ba2O2
4
186
108.8
mp-571094
-6.828796
-5.790509
5.677634
other
Th14Ir6
20
186
555.5
mp-1183164
-4.376683
-5.864581
2.283774
other
Au2C2
4
186
60.07
mp-1183141
-4.195045
-5.269962
2.014041
other
Ag2C2
4
186
60.86
mp-863656
3.024658
-0.366808
-1.861997
other
Pm2H2
4
186
76.36
mp-980194
-0.282349
1.194052
-2.211836
other
Ti2I2
4
186
101.97