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Monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals v001
https://doi.org/10.25950/fca89cea
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Computes the monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals.
KIM ID:
TD_647413317626_001
Extended KIM ID:
VacancyFormationEnergyRelaxationVolume__TD_647413317626_001
Junhao Li
Eric Fuemmeler
Eric Fuemmeler
Other
OpenKIM
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DOI registered
June 26, 2023
via DataCite
Software published 2023 in
Open Knowledgebase of Interatomic Models (OpenKIM)
Software