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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2025	/In-models/Bulks-In-incorporation/HfO2 t-InHfOₓ	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-712.73965495; eV
	28-Aug-2025	/In-models/Bulks-In-incorporation/ZrO2 t-InZrOₓ	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-674.08403916; eV
	28-Aug-2025	/In-models/Bulks-In-incorporation/HfO2 m-InHfOₓ	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-960.99536992; eV
	28-Aug-2025	/In-models/Bulks-In-incorporation/ZrO2 c-InZrOₓ	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-900.63073113; eV
	28-Aug-2025	/In-models/Bulks-In-incorporation/HfO2 c-InHfOₓ	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-952.68134403; eV
	28-Aug-2025	/Slabs/2x2-cell m-ZrO₂(-111)-2x2-cell	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1816.68198390; eV
	28-Aug-2025	/Slabs/2x2-cell m-HfO₂(-111)-2x2-cell	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1925.59460232; eV
	28-Aug-2025	/Slabs/2x2-cell t-ZrO₂(101)-2x2-cell	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1809.38879620; eV
	28-Aug-2025	/Slabs/2x2-cell t-HfO₂(101)-2x2-cell	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1916.62924929; eV
	28-Aug-2025	/In-models/Slabs-In(OH)3-adsorption/HfO2 In(OH)₃-m-HfO₂-s5	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-517.88720254; eV

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