ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ no_equ_18 ✕ no_equ_17 ✕ no_equ_10 ✕ no_equ_3 ✕ ads_E ✕ no_equ_25 ✕
1 Cu54Li - - ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 -2.222 -
2 BeCu54 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 -2.934 -
3 Cu54B - ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 -5.472 -
4 Cu54C ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 -6.254 -
5 Cu54N ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 -4.599 -
6 Cu54O - - ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 -5.385 -
7 Cu54F - - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 -4.264 -
8 Cu54Ar ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 0.020 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005