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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2025	/Single-points/PBE-111kp/Pristine py-iro2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-935.53471211; eV
	29-Sep-2025	/Single-points/PBE-111kp/Pristine py-sno2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-811.53280316; eV
	20-Jun-2025	/Mn_proj/OER/MnIO/slab_111_ slab_111_	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-1014.03667491; eV
	20-Jun-2025	/Mn_proj/OER/MnIO/slab_010 slab_010	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-1070.93888441; eV
	20-Jun-2025	/Mn_proj/OER/MnIO/slab_111/H2O H2O	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-14.23324004; eV
	20-Jun-2025	/Mn_proj/OER/Br_term/M M	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-1087.03617938; eV
	20-Jun-2025	/Mn_proj/OER/MnIO/H2/ZPE ZPE	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-6.63216523; eV
	20-Jun-2025	/Mn_proj/OER/MnIO/H2 H2	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-6.77203819; eV
	2-Feb-2026	/Interfaces/CeO₂-M/CeO₂-Pt CeO₂-Pt-1vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	29-Sep-2025	/Single-points/PBE-111kp/Pristine co2-in2o3	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-1141.63533527; eV

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