ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	atom_E ✕	no_equ_24 ✕	Mass ✕	no_equ_4 ✕	no_equ_5 ✕
1	Cu₅₄Li	-0.299	-	3438.424	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141	ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040
2	BeCu₅₄	-0.039	-	3440.496	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616	ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935
3	Cu₅₄B	-0.349	-	3442.294	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662	ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579
4	Cu₅₄C	-1.248	-	3443.495	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427	ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223
5	Cu₅₄N	-3.124	-	3445.491	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725	ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655
6	Cu₅₄O	-1.533	-	3447.483	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406	ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283
7	Cu₅₄F	-0.424	-	3450.482	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335	ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212
8	Cu₅₄Ar	-0.025	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005	3471.432	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057	ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014

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