ArticleNature materials2019
A map of the inorganic ternary metal nitrides.
Article in Nature materials, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 61 papers.
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Who cites it
61 citing papers in PubMed.
- Observation of thermally stable polar metallic state in perovskite nitride CeWNScience advances · 2026Article
- Synthesis and Properties of Bulk MgChemistry of materials : a publication of the American Chemical Society · 2026Article
- Thin-Film Stabilization and Magnetism of η‑Carbide-Type Iron Nitrides.Chemistry of materials : a publication of the American Chemical Society · 2026Article
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- Are diffusion models ready for materials discovery in unexplored chemical space?Patterns (New York, N.Y.) · 2026Article
- MGPP-DL: deep learning approach for material graph properties prediction.Journal of molecular modeling · 2026Article
- Benchmarking Density Functional Theory for Accurate Calculation of Nitride Band Gaps.Journal of chemical theory and computation · 2026Article
- Growth of non-layered 2D transition metal nitrides enabled by transient chloride templates.Nature communications · 2026Article
- Nitridated Iron-Based (Nano)Materials for Environmental Remediation: Synthesis, Characterization, and Performance.Environmental science & technology · 2025Review
- Synthesis of Free-Standing Alloyed Plasmonic ZrSmall (Weinheim an der Bergstrasse, Germany) · 2025Article
- Cation-Site Disordered CuSmall (Weinheim an der Bergstrasse, Germany) · 2025Article
- Unveiling phase evolution of complex oxides toward precise solid-state synthesis.Science advances · 2025Article
- Machine Learning-Driven Design and Optimization of Multi-Metal Nitride Hard Coatings via Multi-Arc Ion Plating Using Genetic Algorithm and Support Vector Regression.Materials (Basel, Switzerland) · 2025Article
- Metal Nitride Catalysts for Photoelectrochemical and Electrochemical Catalysis.Exploration (Beijing, China) · 2025Review
- Ion Exchange Synthesizes a Metastable Layered Polymorph of MgZrNChemistry of materials : a publication of the American Chemical Society · 2025Article
- Scalable Bulk Synthesis of Phase-Pure γ-SnChemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Oxygen Incorporation as a Route to Nondegenerate Zinc Nitride Semiconductor Thin Films.ACS applied materials & interfaces · 2025Article
- Wide-ranging predictions of new stable compounds powered by recommendation engines.Science advances · 2025Article
- Efficient Exploratory Synthesis of Quaternary Cesium Chlorides Guided by In Silico Predictions.Journal of the American Chemical Society · 2024Article
- Crystal Composition Transformer: Self-Learning Neural Language Model for Generative and Tinkering Design of Materials.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024Article
1 more citing papers are in PubMed but not listed here.
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Authors and funding
15 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Exploratory synthesis in new chemical spaces is the essence of solid-state chemistry. However, uncharted chemical spaces can be difficult to navigate, especially when materials synthesis is challenging. Nitrides represent one such space, where stringent synthesis constraints have limited the exploration of this important class of functional materials. Here, we employ a suite of computational materials discovery and informatics tools to construct a large stability map of the inorganic ternary metal nitrides. Our map clusters the ternary nitrides into chemical families with distinct stability and metastability, and highlights hundreds of promising new ternary nitride spaces for experimental investigation-from which we experimentally realized seven new Zn- and Mg-based ternary nitrides. By extracting the mixed metallicity, ionicity and covalency of solid-state bonding from the density functional theory (DFT)-computed electron density, we reveal the complex interplay between chemistry, composition and electronic structure in governing large-scale stability trends in ternary nitride materials.
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