ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Magnetic moment ✕	Username ✕	PBC ✕	no_equ_4 ✕	ads_E ✕	no_equ_24 ✕
1	Cu₅₄Li	0.000	hecc	TTT	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141	-2.222	-
2	BeCu₅₄	-0.000	hecc	TTT	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616	-2.934	-
3	Cu₅₄B	0.000	hecc	TTT	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662	-5.472	-
4	Cu₅₄C	-0.000	hecc	TTT	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427	-6.254	-
5	Cu₅₄N	-0.000	hecc	TTT	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725	-4.599	-
6	Cu₅₄O	0.000	hecc	TTT	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406	-5.385	-
7	Cu₅₄F	-0.000	hecc	TTT	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335	-4.264	-
8	Cu₅₄Ar	-0.000	hecc	TTT	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057	0.020	ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005

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