OQMD

🆕Just published! Reflections on One Million Compounds in the Open Quantum Materials Database (OQMD) - new perspective from @draykol, @ChrisWolverton1 & co @NorthwesternU to recognise this huge landmark ➡️Open access🔓: doi.org/10.1088/2515-7… @StephanSroche @IOPmaterials

The OQMD.org server was down today between 8 PM CDT and 10 PM CDT due to a deployment cluster upgrade that resulted in unexpected inconsistencies. It is fixed now and no further downtime is expected at this point.

@cpeter153 here is your LiFe #phasediagram!

@yonglin_xu H24O12: stable, dH=-0.444 eV/at E_g=5.77 V=8.54A^3/at

@yonglin_xu ARPCSO: 1 C + 0.2 P2O5 + 0.333 P4S3 at -4.17 eV/at

@yonglin_xu P4O10: stable, dH=-0.645 eV/at E_g=5.63 V=12.1A^3/at

@cpeter153 here is your LiFeO2 #phasediagram!

@cpeter153 here is your Cu-Sn #phasediagram!

@cpeter153 here is your Cu-Zn-Sn-S #phasediagram!

@cpeter153 here is your Cu-Zn-Sn-S #phasediagram!

@cpeter153 here is your Cu-Zn-Sn-S #phasediagram!

@cpeter153 here is your Cu-Zn-Sn-S #phasediagram!

@cpeter153 here is your Cu-Zn-Sn-S #phasediagram!

@cpeter153 here is your Cu-Sn #phasediagram!

@cpeter153 here is your Cu-Zn-Sn-S #phasediagram!

@cpeter153 LiFeO2: stable, dH=-1.93 eV/at E_g=1.54 V=9.03A^3/at

@cpeter153 here is your Cu-Zn #phasediagram!

@cpeter153 here is your Cu-Zn-Sn-S #phasediagram!

@cpeter153 LiFeO2: stable, dH=-1.93 eV/at E_g=1.54 V=9.03A^3/at

@cpeter153 here is your Cu-Zn #phasediagram!