ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ PBC ✕ ads_site ✕ no_equ_11 ✕ no_equ_1 ✕ ads_E ✕ no_equ_21 ✕ Energy ✕ str_E ✕
1 Cu54Li TTT f ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 -2.222 - -193.113 -193.113
2 BeCu54 TTT f ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 -2.934 - -193.566 -193.566
3 Cu54B TTT f ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 -5.472 - -196.413 -196.413
4 Cu54C TTT f ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 -6.254 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 -198.094 -198.094
5 Cu54N TTT f ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 -4.599 - -198.315 -198.315
6 Cu54O TTT f ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 -5.385 - -197.510 -197.510
7 Cu54F TTT f ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 -4.264 - -195.280 -195.280
8 Cu54Ar TTT f ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 0.020 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 -190.598 -190.598