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 ✕ no_equ_13 ✕ no_equ_23 ✕ no_equ_11 ✕
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 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 - ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244
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 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 - ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313
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 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 - ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989
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 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 - ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693
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 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 - ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162
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 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 - ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537
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 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 - ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125
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 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012