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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Echeverria, Carlos | - |
| dc.date.accessioned | 2024-02-20T12:27:17Z | - |
| dc.date.available | 2024-11-27T12:22:04Z | - |
| dc.date.created | 2024-02-20T13:27:16.29+01:00 | - |
| dc.date.issued | 2024-02-20T13:27:16.29+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/66876 | - |
| dc.description | Optimization | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | 3D Perovskites | - |
| dc.subject | Lead free | - |
| dc.title | /MASnX3/MASnCl3/Cubic PBEsol | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-02-20T12:27:17Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 6.3.0 | en |
| cml.program.other | 20Jan22 (build Feb 22 2023 09:44:57) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -56.06646401 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | CH6Cl3NSn | en |
| cml.calculationtype | N/A | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | perovskite_database - DOI: 10.19061/iochem-bd-1-301 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/66876
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