ASE database

Displaying rows 1-25 out of 594

Formula ✕	atom_E ✕	Calculator ✕	Volume ✕	no_equ_24 ✕	no_equ_6 ✕
Cu₅₄Li	-0.299	vasp	1730.483	-	ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776
BeCu₅₄	-0.039	vasp	1730.483	-	ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506
Cu₅₄B	-0.349	vasp	1730.483	-	ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361
Cu₅₄C	-1.248	vasp	1730.483	-	ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915
Cu₅₄N	-3.124	vasp	1730.483	-	ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404
Cu₅₄O	-1.533	vasp	1730.483	-	ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883
Cu₅₄F	-0.424	vasp	1730.483	-	ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859
Cu₅₄Ar	-0.025	vasp	1730.483	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005	ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007

1
2
3
4
5
...
21
22
23
24