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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Feb-2024	/ZnZrOx/Zn₂ZrOx-configurations Zn₂ZrOx-conf15c	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1774.31403037; eV
	31-Jul-2023	/N_carbons/sq_C4N0_C5N1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-615.05328501; eV
	5-Feb-2024	/References H₂O	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-14.21806173; eV
	5-Feb-2024	/Bulks ZnCu	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-5.01724480; eV
	16-Jul-2024	/M_Fe_N_din6_s_c1/Rh_Fe_N_din6_s_c1 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.22603557; eV
	16-Jul-2024	/M_Fe_N_din6_s_c1/Rh_Fe_N_din6_s_c1 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.24047801; eV
	14-Jun-2024	/Au25_clusters/Au25_react Au23Cu2ks_SH-S-CO2_H	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	14-Jun-2024	/Au25_clusters/Au25_react Au23Cu2ks_SH-00_H	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	13-Oct-2025	/Pd/100/adsorption/H_ opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-359.46703352; eV
	6-Sep-2024	/BP86/W W04O15-2H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-

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