Input for phonon calculations of K-Zn-Sb compounds
Published: 9 December 2022| Version 1 | DOI: 10.17632/t3s52hxm6h.1
Contributors:
, , , Description
Structural files used for calculations of phonon dispersion and density of states for several compounds from K-Zn-Sb chemical space.
Files
Institutions
Colorado School of Mines
Categories
Materials Science
AM Process Data Template
| Additive Manufacturing Process | not applicable |
| Process Parameters | not applicable |
| Process Date | 2022-12-08T00:00:00.000Z |
| Process Description | not applicable |
| CAD File | not applicable |
| Process ID | not applicable |
Ex-situ Characterization Data Template
| Sample ID | not applicable |
| Process ID | not applicable |
| Characterization Type | not applicable |
| Characterization Instrument | not applicable |
| Ex-situ Measurement Details | not applicable |
In-situ Characterization Data Template
| Sample ID | not applicable |
| Process ID | not applicable |
| Characterization Type | not applicable |
| Characterization Instrument | not applicable |
| In-situ Measurement Details | not applicable |
Research Process Flow
| Process Flow for Additive Manufacturing | not applicable |
| Process Flow for Ex-situ Characterization | not applicable |
| Process Flow for In-situ Characterization | not applicable |
| Process Flow for Computational Modeling | not applicable |
Software
| Available Software | not applicable |
| Type | Commercial |
| Contact link | not applicable |
Publications
| Sample ID | - |
| Publication Title | - |
| Citation | - |
| Authors | - |
AM Sample Data Template
| Sample ID | not applicable |
| Date | 2022-12-08T00:00:00.000Z |
| Alloy Type | not applicable |
| Alloy composition | not applicable |
| Alloy certificate | not applicable |
| Process ID | not applicable |
MURI/AUSMURI University
| User Name | not applicable |
| University | not applicable |
| Address | not applicable |
| Acknowledgement | not applicable |
Patents
| Patent Title | not applicable |
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Computational Modelling
| Objective of the Model | phonon calculations |
| Typical Input | poscar file |
| Typical output | phonon dispersion and density of states |
| Computer System Requirements | - |
| Simulation ID | - |
Hardware
| Available Hardware | not applicable |
| Accessibility | not applicable |
| Contact link | not applicable |