materialsproject/docs

Materials Project Documentation

Materials Project Documentation

This repository holds an archive of an older version of the Materials Project documentation, generated using the mkdocs system. The Materials Project has since transitioned to a new documentation system using GitBook. Please read the current documentation here: https://docs.materialsproject.org.

Thank you to everyone who contributed to this version of the documentation!

docs's Issues

Migrate Pourbaix App

Migrate Battery Explorer

Corrections on Phase Diagram Page

We need to discuss corrections on the phase diagram wiki page rather than in GGA/GGA+U page.

Migrate Structure Predictor

Migrate Redox Flow Battery (RFB) Dashboard

Migrate Interface Reactions

Migrate Target Solubility Tool

Migrate Phase Diagram

Migrate Analyses: Structural Similarity

Migrate X-Ray Absorption Spectra Matcher

Fix vertical alignment of DB stats on landing page

I’d like to suggest adding vertical-align: top; to <li> elements showing DB stats on the landing page https://materialsproject.org.

Not sure if this is the right place for this. Originally posted here.

Screen.Recording.2021-02-10.at.08.07.12.mp4

Migrate Developer's Area

Migrate Nanoporous Materials Explorer

Migrate Methodology and Calculation Accuracy: Error Checking

Migrate Open APIs: MAPI

Migrate Molecules Explorer

Migrate Database Release Notes

Migrate Reaction Calculator

Migrate Crystal Toolkit

Broken docs link to dielectrics methodology and consistency check details

Two small things

1. The link to the dielectrics methodology is broken.

https://docs.materialsproject.org/methodology/total-energies/#dielectric

The correct one would be https://docs.materialsproject.org/methodology/dielectricity.

2. Could you add more details to this sentence? What specific consistency checks does MP use?

Just as with the piezoelectric and elastic constants, multiple consistency checks are performed on all the calculated dielectric data to ensure its reliability and accuracy.

Migrate Language of the Materials Project: Glossary of Terms

Migrate Materials Explorer

Typo in GGA+U VASP parameters in documentation.

I believe that the reported value for LDAUL is incorrect in the following documentation file:

https://github.com/materialsproject/docs/blob/master/docs/methodology/gga-plus-u.md

which sets the value to 0.

To my understanding would apply the on-site interactions/corrections to the l=0 quantum number a.k.a. s-orbitals, which doesn't seem right.

More likely it was meant to be set to 2 (putting correction on d electrons), as is reported here:

https://github.com/materialsproject/pymatgen/blob/master/pymatgen/io/vasp/MPRelaxSet.yaml

Migrate Methodology and Calculation Accuracy: Calculations

Battery Explorer

This is linked twice in the TOC and labeled as both Battery Explorer and Batteries Explorer