ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Li, Lulu | |
| dc.date.accessioned | 2025-07-17T13:07:05Z | - |
| dc.date.available | 2026-01-16T09:05:02Z | - |
| dc.date.created | 2025-07-17T15:06:41.673176+02:00 | |
| dc.date.issued | 2025-07-17T15:06:41.673176+02:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/100652 | - |
| dc.description.abstract | chgs | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-416 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | /slab_pt13/3d/4x4_slab/1/new_fix_model/ori/sampling/1ce3/sec/ce3_31/chgs chgs | |
| dc.type | dataset | |
| cml.program.name | vasp | |
| cml.program.version | 5.4.4 | |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only | |
| cml.method | DFT | |
| cml.shelltype | Open shell | |
| cml.energy.value | -1580.39897189 | |
| cml.energy.units | eV | |
| cml.formula.generic | Ce64O128Pt13 | |
| cml.calculationtype | Single point | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Pt_CeOx_interface - DOI: 10.19061/iochem-bd-1-416 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/100652
Item files in Browse 
HTML5 resume (see conditions inside)