ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_23 ✕ no_equ_26 ✕ Calculator ✕ no_equ_12 ✕ Magnetic moment ✕ Age ✕ no_equ_8 ✕
1 Cu54Li - - vasp ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 0.000 13M ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940
2 BeCu54 - - vasp ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 -0.000 13M ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327
3 Cu54B - - vasp ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 0.000 13M ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122
4 Cu54C - - vasp ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 -0.000 13M ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472
5 Cu54N - - vasp ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 -0.000 13M ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917
6 Cu54O - - vasp ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 0.000 13M ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973
7 Cu54F - - vasp ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 -0.000 13M ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537
8 Cu54Ar ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 vasp ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 -0.000 13M ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017