Mechanistically Guided Materials Chemistry: Synthesis of Ternary Nitrides, CaZrN2 and CaHfN2

CL Rom, A Novick, MJ McDermott… - Journal of the …, 2024 - ACS Publications
Recent computational studies have predicted many new ternary nitrides, revealing synthetic
opportunities in this underexplored phase space. However, synthesizing new ternary …

Venturing into Unexplored Phase Space: Synthesis, Structure, and Properties of MgCo3B2 Featuring a Rumpled Kagomé Network

P Oftedahl, NJ Parvez, Z Zhang, Y Sun… - Chemistry of …, 2024 - ACS Publications
MgCo3B2, a novel ternary boride in a previously unexplored phase space, was synthesized
using the hydride route. In situ powder X-ray diffraction and DFT calculations aided in the …

Crystal and Electronic Structure of Ternary Bismuthides BaTM1.8Bi2 (TM = Au, Ag) with a New Variation of the BaAu2Sb2 Structure Type

AI Shilov, EO Rakhmanov, KA Lyssenko, AN Kuznetsov… - Crystals, 2024 - mdpi.com
Recently discovered bismuthides with the BaAu2Sb2 structure type demonstrate interesting
properties and electronic structures. Here, we report successful crystal growth, crystal …

Materials laboratories of the future for alloys, amorphous, and composite materials

S Banerjee, YS Meng, AM Minor, M Zhang, NJ Zaluzec… - MRS Bulletin, 2025 - Springer
In alignment with the Materials Genome Initiative and as the product of a workshop
sponsored by the US National Science Foundation, we define a vision for materials …

Synthesis and crystal growth of novel layered bismuthides ATM2Bi2 (A=K, Rb, Cs; TM=Zn, Cd), electron‐deficient compounds with the ThCr2Si2 structure

AI Shilov, KS Pervakov, KA Lyssenko… - Zeitschrift für …, 2023 - Wiley Online Library
We report crystal growth and characterization of 4 new ternary layered bismuthides with
compositions KZn2Bi2 (I), RbZn2Bi2 (II), RbCd2Bi2 (III), and CsCd2Bi2 (IV) that belong to …

Synthesis and crystal growth of novel layered bismuthides ATM2Bi2,(A= K, Rb; TM= Zn, Cd) with significant electron-deficient structure

A Shilov, K Pervakov, K Lyssenko, V Vlasenko… - arxiv preprint arxiv …, 2021 - arxiv.org
Layered bismuthides of the family ATM2Bi2 are showing very interesting structural and
physical properties. Here, we report crystal growth and characterization of new ternary …