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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jan-2025	OI_Homocomplex_4b	Aragay, Gemma	TURBOMOLE; 7.0	Geometry optimization	DFT	def-SV(P)	-6865.166612930; Eh
	21-Jan-2025	OI_Homocomplex_4a	Aragay, Gemma	TURBOMOLE; 7.0	Geometry optimization	DFT	def-SV(P)	-6786.596126736; Eh
	21-Jan-2025	OI_Ternary_4a_5	Aragay, Gemma	TURBOMOLE; 7.0	Geometry optimization	DFT	def-SV(P)	-6699.186208310; Eh
	21-Jan-2025	OI_Ternary_4b_5	Aragay, Gemma	TURBOMOLE; 7.0	Geometry optimization	DFT	def-SV(P)	-6738.468081289; Eh
	21-Jan-2025	OI_Ternary_4c_5	Aragay, Gemma	TURBOMOLE; 7.0	Geometry optimization	DFT	def-SV(P)	-6777.748943391; Eh
	20-Feb-2024	/CsSnX3/CsSnBr3/Orthorhombic PBEsol-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-78.26953753; eV
	20-Feb-2024	/CsSnX3/CsSnBr3/Orthorhombic PBE-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-75.44249116; eV
	20-Feb-2024	/CsSnX3/CsSnBr3/Orthorhombic PBEsol-SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-68.25077017; eV
	20-Feb-2024	/CsSnX3/CsSnI3/Cubic PBEsol-SOC-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-17.96222610; eV
	20-Feb-2024	/CsSnX3/CsSnBr3/Orthorhombic PBE-SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-64.36379167; eV

Results 77991-78000 of 104126 (Search time: 0.051 seconds).