遇见数据集

Thermodynamic stability of quinary alloys

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Zenodo2022-09-08 更新2026-05-25 收录
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This dataset describes the thermodynamic stability of over 65000 hypothetical quinary alloys from the combination of 40 metal elements. The stability is assessed through a binary solid solution model for which the enthalpy of mixing is calculated using density functional theory. The highest possible synthesis temperature at 90% of the melting point is considered. In addition to the thermodynamic stability, the dataset provides (inverse) energy above hull, enthalpy of mixing, and structure phase among other properties.

提供机构:
Zenodo
创建时间:
2022-04-20
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