sorry, we can't preview this file

log_kvrh.gz (3.98 MB)

log_kvrh

Name: log_kvrh
Published: 2019-09-04T04:42:18+00:00
License: https://opensource.org/licenses/MIT
Keywords: matbench, automatminer, machine learning, benchmark, elastic, bulk modulus, materials project, materials science, Condensed Matter Physics, Theory and Design of Materials, Knowledge Representation and Machine Learning

dataset

posted on 2019-09-04, 04:42 authored by Hacking MaterialsHacking Materials

Matbench v0.1 test dataset for predicting DFT log10 VRH-average bulk 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.

History

Usage metrics

Keywords

matbench automatminer machine learning benchmark elastic bulk modulus materials project materials science Condensed Matter Physics Theory and Design of Materials Knowledge Representation and Machine Learning

Licence

MIT

Exports

RefWorks

BibTeX

Ref. manager

Endnote

DataCite

NLM