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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/CsSnBr3/Cubic PBE | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -15.83760484; eV | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Cubic PBE-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -18.82872549; eV | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Cubic PBE-SOC | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -16.05737353; eV | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Cubic PBE-SOC-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -19.07981542; eV | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Cubic PBEsol | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -16.81440240; eV | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Cubic PBEsol-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -19.52324520; eV | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Cubic PBEsol-SOC | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -17.02415488; eV | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Cubic PBEsol-SOC-HSE06 | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -20.77834933; eV | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Orthorhombic PBE | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -63.48873008; 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 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 | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Orthorhombic PBE-SOC-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -76.44454787; eV | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Orthorhombic PBEsol | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -67.42191747; eV | |||
 | 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 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/CsSnBr3/Orthorhombic PBEsol-SOC-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -79.27837704; eV | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Tetragonal PBE | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -63.43812615; eV | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Tetragonal PBE-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -75.40008573; eV | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Tetragonal PBE-SOC | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -64.31761481; eV | |||
 | 20-Feb-2024 | /CsSnX3/CsSnBr3/Tetragonal PBE-SOC-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -76.40197596; eV |