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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	/110/nd/substitutional/adsorbates on_mn-no-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-689.33833917; eV
	7-Mar-2023	/110/nd/substitutional/adsorbates on_ce-o2-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-686.33721011; eV
	7-Mar-2023	/110/nd/substitutional/bader bader	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-572.11001192; eV
	7-Mar-2023	/110/nd/sac_ads/mos3_2 adsorbates-on_mn-nh3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-604.73362668; eV
	7-Mar-2023	/110/nd/sac_ads/mos3_2 adsorbates-on_mn-o2	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-596.22071875; eV
	7-Mar-2023	/110/nd/sac_ads/mos5 2vacs-o2-on_vac-alt	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-580.98795978; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 only_sac-m_nh_species	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-594.77380819; eV
	7-Mar-2023	/110/nd/sac_ads/mos5 adsorbates-on_ce-o2	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-595.37122668; eV
	7-Mar-2023	/110/nd/sac_ads/mos5 adsorbates-on_ce-hno-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-704.20759026; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 only_sac-xps	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-687.92526382; eV

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