ASE database

Displaying rows 1-25 out of 31
↓ ID ✕ Formula ✕ Username ✕ no_equ_2 ✕ Number of atoms ✕ no_equ_13 ✕ Magnetic moment ✕ no_equ_6 ✕
1 Cu54Li hecc ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 55 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 0.000 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776
2 BeCu54 hecc ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 55 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 -0.000 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506
3 Cu54B hecc ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 55 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 0.000 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361
4 Cu54C hecc ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 55 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 -0.000 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915
5 Cu54N hecc ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 55 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 -0.000 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404
6 Cu54O hecc ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 55 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 0.000 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883
7 Cu54F hecc ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 55 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 -0.000 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859
8 Cu54Ar hecc ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 55 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 -0.000 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007