DFT calculation of the mixed AlB2-type transition metal diborides
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https://data.mendeley.com/datasets/npmm82t6nz
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资源简介：
1. the LDA-DFT assessment of the unary and binary AlB2-type transition metal diborides (group IVB and VB) at 0K
2. the PBEGGA-DFT assessment of the unary and binary AlB2-type transition metal diborides at 0K
3. the temperature dependent properties of the unary and binary AlB2-type transition metal diborides using the QHA with LDA-DFT
4. the temperature dependent properties of the unary AlB2-type transition metal diborides using the QHA with PBEGGA-DFT
创建时间：
2024-06-20
