ASE database

Displaying rows 1-17 out of 17
↓ ID ✕ Formula ✕ Username ✕ distance ✕ no_equ_11 ✕ no_equ_3 ✕ no_equ_28 ✕ no_equ_29 ✕ Number of atoms ✕ no_equ_5 ✕ no_equ_15 ✕
1 Cu54Li hecc 1.865 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 - - 55 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066
2 BeCu54 hecc 1.012 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 - - 55 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774
3 Cu54B hecc 0.409 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 - - 55 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180
4 Cu54C hecc 0.260 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 - - 55 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345
5 Cu54N hecc 0.399 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 - - 55 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016
6 Cu54O hecc 0.772 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 - - 55 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174
7 Cu54F hecc 1.238 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 - - 55 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666
8 Cu54Ar hecc 3.861 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 55 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007