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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	/100_4o/surf_vac/neighboring/mos3 adsorbates-on_vac-nh3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-877.01319251; eV
	7-Mar-2023	/100_4o/nd/sac_ads/mos3 adsorbates-on_mn-no-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-876.66670026; eV
	7-Mar-2023	/100_4o/nd/sac_ads/mos3 only_sac	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-863.00466733; eV
	7-Mar-2023	/100_4o/surf_vac/pris/surface surface	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-843.96196741; eV
	7-Mar-2023	/100_4o/nd/pris/surface hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-1004.87828808; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N1/Fe_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	-	-628.44599937; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N0/Cd_sq_C4N1_C5N0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-620.10719841; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N1/Co_sq_C4N0_C5N1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-626.47711846; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N0/Ni_sq_C4N1_C5N0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-625.02769820; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4X0_C5X0/Au_sq_C4X0_C5X0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-623.99240948; eV

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