expt_gap_kingsbury
收藏NIAID Data Ecosystem2026-03-12 收录
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资源简介:
Identical to the matbench_expt_gap dataset, except that Materials Project database IDs (mp-ids) have been associated with each material using the same method as described for the expt_formation_enthalpy_kingsbury dataset. Columns have also been renamed for consistency with the formation enthalpy data. Reference:Kingsbury, R., Bartel., C., Dwaraknath, S., Gupta, A., Horton, M., Munro, J., Jain. A., Ong, S.P., Persson, K. Comparison of r$^2$SCAN and SCAN metaGGA functionals via an automated, high-throughput computational workflow. In preparation.
创建时间:
2021-05-29



