ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_9 ✕ no_equ_11 ✕ Username ✕ no_equ_2 ✕
1 Cu54Li ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 hecc ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567
2 BeCu54 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 hecc ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415
3 Cu54B ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 hecc ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180
4 Cu54C ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 hecc ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067
5 Cu54N ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 hecc ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156
6 Cu54O ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 hecc ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909
7 Cu54F ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 hecc ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637
8 Cu54Ar ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 hecc ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278