ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_2 ✕ no_equ_9 ✕ Number of atoms ✕ Maximum stress ✕ no_equ_1 ✕
1 Cu54Li ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 55 0.009 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
2 BeCu54 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 55 0.008 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
3 Cu54B ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 55 0.008 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
4 Cu54C ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 55 0.008 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
5 Cu54N ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 55 0.007 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
6 Cu54O ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 55 0.009 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
7 Cu54F ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 55 0.009 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
8 Cu54Ar ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 55 0.009 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500