Crystal structure of Zr2O

I saw the stable of Zr2O alloy in Material Project is P312. I wonder how material project extracted the structure of Zr2O. What is its available source. Are there any experimental lattice parameters for this alloys.

Our detail pages for each material contain “Literature References” and “External Links” sections that should help with the provenance, e.g. https://next-gen.materialsproject.org/materials/mp-628?formula=Zr2Co#external_links. The URLs in the “External Links” section point to the matching entries on ICSD which we used as source(s) for the material. Our API also has a provenance endpoint to retrieve the “history” of a material programmatically. See our docs for details. HTH

Hi tschaume, Thank you so much for your link. However, I am asking about the zirconium oxide (Zr2O) (but not zirconium carbon-monoxide), with space group P312 in the material project. I am in need of its experimental lattice parameters if it is synthesized experimentally. I noticed in one of the experimental paper (IUCr) Atomic ordering and lattice distortion in the zirconium–oxygen alloys with 28.2 and 29.2 at.% oxygen,

Zirconium oxide (Zr2O) with type epsilon-Fe2N in space group P312 was synthesized but I could not see about Zr2O; however the compound synthesized is in the form of ZrOz. I just wonder how material project get the structural data regarding Zr2O (P312, space group).

I appreciate your help.

Sorry, I totally fat-fingered the composition there :stuck_out_tongue: The missing “black star” next to material mp-753629 on https://next-gen.materialsproject.org/materials?formula=Zr2O indicates that this structure was not sourced from experiment. I’ll try to see if I can find any details about its origin. @munrojm