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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Feb-2024	/FASnX3/FASnI3/Tetragonal_P4_mbm PBEsol-SOC-HSE06	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-137.26565684; eV
	20-Feb-2024	/CsSnX3/CsSnI3/Orthorhombic PBEsol-SOC-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-72.40566558; eV
	20-Feb-2024	/FASnX3/FASnI3/Tetragonal_P4_mbm PBEsol-SOC	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-117.44366512; eV
	20-Feb-2024	/MASnX3/MASnCl3/Rhombohedral PBEsol-SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Single point	DFT	-	-55.91237141; eV
	20-Feb-2024	/FASnX3/FASnI3/Orthorhombic_Amm2 PBEsol	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-116.21573720; eV
	20-Feb-2024	/FASnX3/FASnI3/Cubic PBEsol-SOC-HSE06	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-68.47777202; eV
	20-Feb-2024	/MASnX3/MASnCl3/Cubic PBEsol-SOC-HSE06	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-65.68935231; eV
	20-Feb-2024	/FASnX3/FASnI3/Cubic PBEsol-SOC	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-58.57434344; eV
	6-Sep-2024	/B3LYP/Nb Nb06O19-2H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	6-Sep-2024	/B3LYP/Nb Nb08O25-3H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-

Results 81481-81490 of 104124 (Search time: 0.052 seconds).