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log_gvrh

Name: log_gvrh
Published: 2019-09-04T04:36:33+00:00
License: https://opensource.org/licenses/MIT
Keywords: matbench, automatminer, materials project, elasticity, shear modulus, benchmark, materials science, dft, Condensed Matter Physics, Knowledge Representation and Machine Learning

dataset

posted on 2019-09-04, 04:36 authored by Hacking MaterialsHacking Materials

Matbench v0.1 test dataset for predicting DFT log10 VRH-average shear modulus from structure. Adapted from Materials Project database. Removed entries having a formation energy (or energy above the convex hull) more than 150meV and those having negative G_Voigt, G_Reuss, G_VRH, K_Voigt, K_Reuss, or K_VRH and those failing G_Reuss <= G_VRH <= G_Voigt or K_Reuss <= K_VRH <= K_Voigt and those containing noble gases. Retrieved April 2, 2019.

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matbench automatminer materials project elasticity shear modulus benchmark materials science dft Condensed Matter Physics Knowledge Representation and Machine Learning

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MIT

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