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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Oct-2023	Cu5Fe19O32_tetrahedral_site7	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-388.12141563; eV
	24-Oct-2023	Cu5Fe19O32_tetrahedral_site6	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-388.12575261; eV
	24-Oct-2023	Cu5Fe19O32_tetrahedral_site2	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-388.12206160; eV
	24-Oct-2023	Cu5Fe19O32_tetrahedral_site1	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-388.12242540; eV
	24-Oct-2023	Cu4Fe20O32_tetrahedral_site1	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-391.94515183; eV
	24-Oct-2023	Cu5Fe19O32_tetrahedral_site3	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-388.13143897; eV
	24-Oct-2023	Cu5Fe19O32_tetrahedral_Site5	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-388.12118546; eV
	24-Oct-2023	Cu1Fe23O32_tetrahedral	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-402.89652515; eV
	24-Oct-2023	Cu2Fe22O32_tetrahedral	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-399.46814674; eV
	24-Oct-2023	Fe16Mn2Fe3Mn2Fe1O32_Oct	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-413.99828102; eV

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