ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Naeem, Muhammad Saad | |
| dc.date.accessioned | 2025-07-17T10:26:27Z | - |
| dc.date.available | 2025-07-17T12:24:58.23141+02:00 | |
| dc.date.available | 2025-07-17T10:26:27Z | - |
| dc.date.created | 2025-07-17T12:24:58.23141+02:00 | |
| dc.date.issued | 2025-07-17T12:24:58.23141+02:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/100168 | - |
| dc.description.abstract | Mn_doped_Ni2P/Ni3P2_nH | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| 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 | h_23_mn_ni3p2 | |
| dc.type | dataset | |
| cml.program.name | vasp | |
| cml.program.version | 5.4.4 | |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | |
| cml.method | DFT | |
| cml.shelltype | Open shell | |
| cml.energy.value | -861.80277952 | |
| cml.energy.units | eV | |
| cml.formula.generic | H23MnNi83P44 | |
| cml.calculationtype | Geometry optimization | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | NiP_and_NiMP - DOI: 10.19061/iochem-bd-1-372 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/100168
Item files in Browse 
HTML5 resume (see conditions inside)