ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_2 ✕	no_equ_1 ✕	Number of atoms ✕
1	Cu₅₄Li	ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567	ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046	55
2	BeCu₅₄	ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415	ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046	55
3	Cu₅₄B	ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180	ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781	55
4	Cu₅₄C	ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067	ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493	55
5	Cu₅₄N	ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156	ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448	55
6	Cu₅₄O	ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909	ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372	55
7	Cu₅₄F	ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637	ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084	55
8	Cu₅₄Ar	ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278	ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500	55