ASE database

Displaying rows 1-8 out of 8

Formula ✕	Username ✕	Calculator ✕	no_equ_11 ✕	distance ✕	no_equ_12 ✕	Age ✕
Cu₅₄Li	hecc	vasp	ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244	1.865	ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165	16M
BeCu₅₄	hecc	vasp	ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313	1.012	ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632	16M
Cu₅₄B	hecc	vasp	ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989	0.409	ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303	16M
Cu₅₄C	hecc	vasp	ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693	0.260	ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531	16M
Cu₅₄N	hecc	vasp	ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162	0.399	ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068	16M
Cu₅₄O	hecc	vasp	ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537	0.772	ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372	16M
Cu₅₄F	hecc	vasp	ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125	1.238	ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889	16M
Cu₅₄Ar	hecc	vasp	ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012	3.861	ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010	16M