ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Magnetic moment ✕ Maximum force ✕ Mass ✕ no_equ_2 ✕ ads_E ✕ str_E ✕ no_equ_5 ✕ Number of atoms ✕ no_equ_19 ✕ no_equ_25 ✕ Energy ✕
1 Cu54Li 0.000 0.009 3438.424 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 -2.222 -193.113 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 55 - - -193.113
2 BeCu54 -0.000 0.010 3440.496 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 -2.934 -193.566 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 55 - - -193.566
3 Cu54B 0.000 0.005 3442.294 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 -5.472 -196.413 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 55 - - -196.413
4 Cu54C -0.000 0.010 3443.495 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 -6.254 -198.094 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 55 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 - -198.094
5 Cu54N -0.000 0.005 3445.491 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 -4.599 -198.315 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 55 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - -198.315
6 Cu54O 0.000 0.008 3447.483 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 -5.385 -197.510 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 55 - - -197.510
7 Cu54F -0.000 0.006 3450.482 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 -4.264 -195.280 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 55 - - -195.280
8 Cu54Ar -0.000 0.007 3471.432 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 0.020 -190.598 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 55 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 -190.598