ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Charge ✕ Mass ✕ no_equ_26 ✕ Volume ✕ Maximum stress ✕ no_equ_1 ✕ no_equ_13 ✕ str_E ✕
1 Cu54Li 0.000 3438.424 - 1730.483 0.009 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 -193.113
2 BeCu54 0.000 3440.496 - 1730.483 0.008 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 -193.566
3 Cu54B 0.000 3442.294 - 1730.483 0.008 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 -196.413
4 Cu54C 0.000 3443.495 - 1730.483 0.008 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 -198.094
5 Cu54N 0.000 3445.491 - 1730.483 0.007 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 -198.315
6 Cu54O 0.000 3447.483 - 1730.483 0.009 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 -197.510
7 Cu54F 0.000 3450.482 - 1730.483 0.009 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 -195.280
8 Cu54Ar 0.000 3471.432 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 1730.483 0.009 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 -190.598