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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
20-Feb-2024 | /CsSnX3/CsSnI3/Cubic PBEsol | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -16.14216383; eV | ||||
20-Feb-2024 | /FASnX3/FASnI3/Orthorhombic_Imm2 PBEsol | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -466.30136064; eV | ||||
20-Feb-2024 | /MASnX3/MASnI3/Orthorhombic PBEsol-SOC | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -214.01545239; eV | ||||
20-Feb-2024 | /CsSnX3/CsSnI3/Orthorhombic PBEsol-SOC | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -62.99139337; eV | ||||
20-Feb-2024 | /CsSnX3/CsSnCl3/Monoclinic PBEsol | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -73.47101072; eV | ||||
20-Feb-2024 | /MASnX3/MASnI3/Cubic PBEsol | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -53.02345942; eV | ||||
20-Feb-2024 | /MASnX3/MASnI3/Orthorhombic PBEsol-SOC-HSE06 | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -247.94552275; eV | ||||
20-Feb-2024 | /MASnX3/MASnCl3/Cubic PBEsol-SOC | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -56.10815576; eV | ||||
20-Feb-2024 | /MASnX3/MASnCl3/Cubic PBEsol | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 22 2023 09:44:57) complex | N/A | DFT | - | -56.06646401; eV | ||||
20-Feb-2024 | /CsSnX3/CsSnCl3/Cubic PBE | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -17.47814467; eV |
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