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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Dec-2025	/Ga-models/Slabs-Ga-incorporation/Subsurface/HfO2 Ga@m-HfO₂-subsurf-s2	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-466.82275044; eV
	2-Dec-2025	/Ga-models/Slabs-Ga(OH)3-adsorption/HfO2 Ga(OH)₃-m-HfO₂-s3	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-518.59200654; eV
	2-Dec-2025	/Zn-models/Slabs-Zn(OH)2-adsorption/HfO2 Zn(OH)₂-m-HfO₂-s4	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-504.84936751; eV
	16-Jan-2026	/FG_dataset/group2/rh/111 rh-4601-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-391.71777570; eV
	2-Dec-2025	/Ga-models/Oxygen-vacancies/Ga@MO2-slabs/Ga@HfO2/Surface Ga@m-HfO₂-vac-s3	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-460.27810512; eV
	2-Dec-2025	/Ga-models/Oxygen-vacancies/Ga@MO2-slabs/Ga@HfO2/Surface Ga@m-HfO₂-vac-s4	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-459.82763956; eV
	19-Mar-2026	/PMoW P01Mo04W05O34-2H-iso-230418	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.57635215; Eh
	19-Mar-2026	/PMoW P00Mo02W04O21-2H-iso-13	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.12156747; Eh
	19-Mar-2026	/PMoW P01Mo00W12O40-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.96140491; Eh
	19-Mar-2026	/PMoW P00Mo03W03O21-1H-iso-363	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.07284470; Eh

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