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 |
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Ex-situ Characterization Data Template
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Ex-situ Measurement Details | not applicable |
In-situ Characterization Data Template
Sample ID | not applicable |
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Characterization Type | not applicable |
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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
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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 |
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MURI/AUSMURI University
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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 |