ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Computational Exploration of Magnetic Saturation and Anisotropy Energy for Nonstoichiometric Ferrite Compositions
Journal: Phys. Rev. B: Condens. Matter
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Punyapu, Venkata Rohit | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2023-10-24T14:55:35Z | - |
| dc.date.available | 2023-10-24T14:55:35Z | - |
| dc.date.created | 2023-10-24T16:55:34.106+02:00 | - |
| dc.date.issued | 2023-10-24T16:55:34.106+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/312813 | - |
| dc.description | Non stoichiometric normal spinel with site allocation | - |
| dc.publisher | Barcelona Supercomputing Center | - |
| dc.relation | Original title: Computational Exploration of Magnetic Saturation and Anisotropy Energy for Nonstoichiometric Ferrite Compositions Journal: Phys. Rev. B: Condens. Matter | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-297 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | Cu5Fe19O32_tetrahedral_site2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-10-24T14:55:35Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -388.12206160 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | Cu5Fe19O32 | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Venkata_Rohit_Punyapu - DOI: 10.19061/iochem-bd-6-297 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/312813
Item files in Browse 
HTML5 resume (see conditions inside)