ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ atom_E ✕ no_equ_29 ✕ Energy ✕ Volume ✕ no_equ_11 ✕ no_equ_27 ✕ no_equ_7 ✕ no_equ_12 ✕
1 Cu54Li -0.299 - -193.113 1730.483 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 - ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165
2 BeCu54 -0.039 - -193.566 1730.483 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 - ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632
3 Cu54B -0.349 - -196.413 1730.483 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 - ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303
4 Cu54C -1.248 - -198.094 1730.483 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 - ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531
5 Cu54N -3.124 - -198.315 1730.483 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 - ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068
6 Cu54O -1.533 - -197.510 1730.483 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 - ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372
7 Cu54F -0.424 - -195.280 1730.483 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 - ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889
8 Cu54Ar -0.025 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 -190.598 1730.483 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010