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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2025	/bulk/supercell_211 supercell_211	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 09:44:57) complex	Single point	DFT	-	-
	2-Jul-2025	/bulk/scf scf	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	Single point	DFT	-	-646.42923657; eV
	2-Jul-2025	/bulk/soc soc	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 09:44:57) complex	Single point	DFT	-	-536.91225084; eV
	16-Jan-2026	/FG_dataset/oximes/pt/111 pt-49Y6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-366.88339461; eV
	2-Dec-2025	/Oxygen-vacancies/In(OH)3-MO2-slabs/In(OH)3-HfO2/Surface In(OH)₃-m-HfO₂-vac-s7	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-506.92841090; eV
	2-Dec-2025	/Oxygen-vacancies/In@MO2-slabs/In@ZrO2/Subsurface In@t-ZrO₂-vac-s1	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-432.19292165; eV
	2-Dec-2025	/Oxygen-vacancies/In@MO2-slabs/In@HfO2/Surface In@m-HfO₂-vac-s2	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-459.64214493; eV
	14-May-2025	/Ni_F_Ni_1/110_001/2_layer/i251102 opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-559.05756119; eV
	14-May-2025	/Ni_F_Ni_1/110_001/2_layer/i260101 opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-556.19199336; eV
	2-Jul-2025	/chem_pot/SnI2 SnI2	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-50.26383238; eV

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