ASE database

Displaying rows 1-25 out of 31
Formula ✕ no_equ_23 ✕ no_equ_27 ✕ no_equ_16 ✕ Maximum stress ✕ no_equ_22 ✕ no_equ_5 ✕ no_equ_24 ✕ no_equ_8 ✕ no_equ_13 ✕ Charge ✕ no_equ_1 ✕ no_equ_25 ✕ no_equ_21 ✕ Dipole_val ✕ Energy ✕ no_equ_17 ✕
Cu54Li - - ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 0.009 - ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 - ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 0.000 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 - - -2.989 -193.113 -
BeCu54 - - ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 0.008 - ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 - ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 0.000 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 - - -0.069 -193.566 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613
Cu54B - - ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 0.008 - ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 - ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 0.000 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 - - 0.558 -196.413 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007
Cu54C - - ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 0.008 - ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 - ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 0.000 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 - ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 0.431 -198.094 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025
Cu54N - - ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 0.007 - ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 - ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 0.000 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 - - 0.356 -198.315 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004
Cu54O - - ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 0.009 - ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 - ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 0.000 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 - - 0.473 -197.510 -
Cu54F - - - 0.009 - ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 - ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 0.000 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 - - 0.677 -195.280 -
Cu54Ar ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 0.009 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 0.000 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 -0.049 -190.598 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006