ASE database

Displaying rows 1-25 out of 31
↓ ID ✕ Formula ✕ Number of atoms ✕ Energy ✕ Charge ✕ Volume ✕ Maximum force ✕
1 BC14N 16 -140.733 0.000 92.675 0.009
2 BC14N 16 -140.331 0.000 92.808 0.002
3 BC14N 16 -141.927 0.000 92.392 0.009
4 BC14N 16 -140.519 0.000 92.730 0.005
5 B2C12N2 16 -138.203 0.000 93.729 0.004
6 B2C12N2 16 -135.212 0.000 94.575 0.013
7 B2C12N2 16 -136.832 0.000 94.033 0.007
8 B2C12N2 16 -137.891 0.000 93.826 0.004
9 B2C12N2 16 -136.002 0.000 94.215 0.006
10 B2C12N2 16 -137.940 0.000 93.770 0.004
11 B2C12N2 16 -136.562 0.000 94.158 0.007
12 B2C12N2 16 -135.205 0.000 94.468 0.008
13 B2C12N2 16 -139.298 0.000 93.417 0.007
14 B2C12N2 16 -136.011 0.000 94.209 0.007
15 B2C12N2 16 -137.209 0.000 93.901 0.009
16 B2C12N2 16 -138.603 0.000 93.603 0.006
17 B2C12N2 16 -135.830 0.000 94.278 0.009
18 B2C12N2 16 -138.334 0.000 93.604 0.008
19 B2C12N2 16 -138.695 0.000 93.463 0.008
20 B2C12N2 16 -140.744 0.000 93.087 0.008
21 B2C12N2 16 -138.331 0.000 93.680 0.008
22 B2C12N2 16 -136.400 0.000 94.075 0.009
23 B3C10N3 16 -131.297 0.000 95.813 0.009
24 B3C10N3 16 -133.253 0.000 95.409 0.007
25 B3C10N3 16 -136.205 0.000 94.679 0.005