ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_29 ✕ no_equ_5 ✕ Magnetic moment ✕ PBC ✕ Number of atoms ✕ no_equ_28 ✕ plane_index ✕ ads_E ✕ Volume ✕ no_equ_16 ✕ no_equ_30 ✕ no_equ_1 ✕ no_equ_6 ✕
1 Cu54Li - ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 0.000 TTT 55 - 100 -2.222 1730.483 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776
2 BeCu54 - ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 -0.000 TTT 55 - 100 -2.934 1730.483 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506
3 Cu54B - ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 0.000 TTT 55 - 100 -5.472 1730.483 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361
4 Cu54C - ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 -0.000 TTT 55 - 100 -6.254 1730.483 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 - ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915
5 Cu54N - ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 -0.000 TTT 55 - 100 -4.599 1730.483 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 - ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404
6 Cu54O - ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 0.000 TTT 55 - 100 -5.385 1730.483 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883
7 Cu54F - ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 -0.000 TTT 55 - 100 -4.264 1730.483 - - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859
8 Cu54Ar ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 -0.000 TTT 55 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 100 0.020 1730.483 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007