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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2025	/termination/Sn_term/M/pathways/I2O I2O	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-3213.82028925; eV
	2-Jul-2025	/termination/Sn_term/M/HSE HSE	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-1010.91776590; eV
	2-Jul-2025	/termination/Sn_term/M M	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-810.25673613; eV
	16-Jan-2026	/FG_dataset/group2/ag/111 ag-4a12-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-206.08483881; eV
	16-Jan-2026	/FG_dataset/group2/ag/111 ag-4a13-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-206.08319890; eV
	2-Dec-2025	/Band-gap-characterization/HSE03 In@m-HfO₂-vac-slab	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-500.77286612; eV
	2-Dec-2025	/Band-gap-characterization/HSE03 m-InHfOₓ-vac-bulk	Ritopecki, Milica	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 12:22:38) complex	Single point	DFT	-	-1036.91366688; eV
	2-Dec-2025	/Band-gap-characterization/HSE03 m-HfO₂-slab	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-523.32498721; eV
	2-Jul-2025	/termination/Sn_term/M/pathways/I2_adj/solv solv	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-3245.52459770; eV
	2-Jul-2025	/termination/Sn_term/M/pathways/_O2 _O2	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-3213.17654094; eV

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