Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry
Materials databases currently neglect the temperature effect on compound thermodynamics. Here the authors introduce a Gibbs energy descriptor enabling the high-throughput prediction of temperature-dependent thermodynamics across a wide range of compositions and temperatures for inorganic solids.
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| Main Authors: | , , , , , , , , , |
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| Format: | article |
| Language: | EN |
| Published: |
Nature Portfolio
2018
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| Subjects: | |
| Online Access: | https://doaj.org/article/a4f6f48441e84528b5fb49293d022637 |
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