ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_29 ✕ no_equ_5 ✕ Magnetic moment ✕ PBC ✕ Number of atoms ✕ no_equ_28 ✕ plane_index ✕ ads_E ✕ Volume ✕
1 Cu54Li - ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 0.000 TTT 55 - 100 -2.222 1730.483
2 BeCu54 - ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 -0.000 TTT 55 - 100 -2.934 1730.483
3 Cu54B - ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 0.000 TTT 55 - 100 -5.472 1730.483
4 Cu54C - ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 -0.000 TTT 55 - 100 -6.254 1730.483
5 Cu54N - ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 -0.000 TTT 55 - 100 -4.599 1730.483
6 Cu54O - ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 0.000 TTT 55 - 100 -5.385 1730.483
7 Cu54F - ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 -0.000 TTT 55 - 100 -4.264 1730.483
8 Cu54Ar ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 -0.000 TTT 55 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 100 0.020 1730.483