I noticed that for some materials, there are User Data. How do I contribute those for materials I have worked on?
Specifically, I looked up Zn-Ge-N mp-2979/
for which there are other calculated values of the gaps. The references given there however do not point to a paper on the specific material but on the methodology used.
My group has been working on this and related II-IV-N2 semiconductor materials for about a decade.
We have Quasiparticle self-consistent GW band structure results for these materials. They were calculated with an all electron FP-LMTO method described in https://www.questaal.org/
We have also calculated phonon dispersions as well as elastic constants and so on using ABINIT.
See e.g. https://sites.google.com/a/case.edu/dmref/
Within this family, we currently have results for ZnSiN2, ZnGeN2, ZnSnN2, CdSiN2, CdGeN2, CdSnN2, MgSiN2, MgGeN2, MgSnN2, BeSiN2, BeGeN2.
Walter
Hi Walter,
we’d be excited to include your contributed data into Materials Project! Thanks for reaching out.
I’d suggest we set up a brief conference call with you (and possibly one of your group members as POC) to discuss your needs for data ingestion and dissemination. Would you mind starting an email thread with me (phuck at lbl.gov) and your interested group member(s)?
I’ll also walk you through our dedicated framework MPContribs and the already existing use cases: https://materialsproject.org/mpcontribs
One of them might already give us a good starting point.
best,
Patrick