[Dataset submission | request] AlN_CMS_2023

[jvita]

Name

Josh Vita

Email

vita1@llnl.gov

Dataset name

AlN_CMS_2023

Authors

Tao Li, Qing Hou, Jie-chao Cui, Jia-hui Yang, Ben Xu, Min Li, Jun Wang, Bao-qin Fu

Links

• Paper: https://www.sciencedirect.com/science/article/pii/S092702562300650X#da005
• Data upon request

Dataset description

Training dataset for developing IAPs to model thermal and defect properties of aluminum nitride (AlN)

File details

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Method

DFT

Method (other)

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Software

VASP

Software (other)

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Software version(s)

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Additional details

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Property types

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Other/additional property

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Property details

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Elements

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Number of Configurations

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Naming convention

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Configuration sets

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Configuration labels

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Distribution license

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Permissions

• [ ] I confirm that I have the necessary permissions to submit this dataset

[gpwolfe]

Contacted corresponding author

[gpwolfe]

Second contact attempt

[gpwolfe]

Contact attempt