no code implementations • 10 Mar 2021 • Vanessa Meschke, Prashun Gorai, Vladan Stevanović, Eric S. Toberer
We have searched nearly 40, 000 inorganic solids in the Inorganic Crystal Structural Database to identify compounds containing a transition metal or rare earth kagom\'e sublattice, a geometrically magnetically frustrated lattice, ultimately identifying $\sim$500 materials.
Materials Science
1 code implementation • 27 Sep 2019 • Félix Therrien, Peter Graf, Vladan Stevanović
Finding an optimal match between two crystal structures underpins many important materials science problems including describing solid-solid phase transitions, developing models for interface and grain boundary structures, etc.
Materials Science Computational Physics
no code implementations • 21 May 2018 • Christopher J. Bartel, Samantha L. Millican, Ann M. Deml, John R. Rumptz, William Tumas, Alan W. Weimer, Stephan Lany, Vladan Stevanović, Charles B. Musgrave, Aaron M. Holder
Using the resulting predicted thermochemical data, we generate thousands of temperature-dependent phase diagrams to provide insights into the effects of temperature and composition on materials synthesizability and stability and to establish the temperature-dependent scale of metastability for inorganic compounds.
Materials Science
