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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/Tetragonal PBEsol | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -67.37869512; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnBr3/Tetragonal PBEsol-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -78.20802849; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnBr3/Tetragonal PBEsol-SOC | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -68.18771470; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnBr3/Tetragonal PBEsol-SOC-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -79.21859409; 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 | |||
| 20-Feb-2024 | /CsSnX3/CsSnCl3/Cubic PBE-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -20.81609302; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnCl3/Cubic PBE-SOC | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -17.62664206; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnCl3/Cubic PBE-SOC-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -20.98896232; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnCl3/Cubic PBEsol | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -18.35942112; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnCl3/Cubic PBEsol-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -21.46353074; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnCl3/Cubic PBEsol-SOC | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -18.49870247; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnCl3/Cubic PBEsol-SOC-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -21.63684763; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnCl3/Monoclinic PBE | Echeverria, Carlos | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -70.06321200; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnCl3/Monoclinic PBE-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -83.81989640; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnCl3/Monoclinic PBE-SOC | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -70.75762488; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnCl3/Monoclinic PBE-SOC-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -84.53555204; 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 | /CsSnX3/CsSnCl3/Monoclinic PBEsol-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -86.35907739; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnCl3/Monoclinic PBEsol-SOC | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -74.16028610; eV | |||
| 20-Feb-2024 | /CsSnX3/CsSnCl3/Monoclinic PBEsol-SOC-HSE06 | Echeverria, Carlos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex | Single point | DFT | - | -87.06089819; eV |