New tolerance factor to predict the stability of perovskite oxides and halides

Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties

(2018) Tian Xie et al.   PHYSICAL REVIEW LETTERS

The geometric blueprint of perovskites

(2018) Marina R. Filip et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Predictions of new ABO3 perovskite compounds by combining machine learning and density functional theory

(2018) Prasanna V. Balachandran et al.   PHYSICAL REVIEW MATERIALS

SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates

(2018) Runhai Ouyang et al.   PHYSICAL REVIEW MATERIALS

Thermodynamic Stability Trend of Cubic Perovskites

(2017) Qingde Sun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cu–In Halide Perovskite Solar Absorbers

(2017) Xin-Gang Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Perovskites in catalysis and electrocatalysis

(2017) Jonathan Hwang et al.   SCIENCE

Promises and challenges of perovskite solar cells

(2017) Juan-Pablo Correa-Baena et al.   SCIENCE

Properties and potential optoelectronic applications of lead halide perovskite nanocrystals

(2017) Maksym V. Kovalenko et al.   SCIENCE

Lead-Free Perovskite Solar Cells

(2017) Prashant V. Kamat et al.   ACS Energy Letters

Chemically diverse and multifunctional hybrid organic–inorganic perovskites

(2017) Wei Li et al.   Nature Reviews Materials

Cs2AgBiX6 (X = Br, Cl): New Visible Light Absorbing, Lead-Free Halide Perovskite Semiconductors

(2016) Eric T. McClure et al.   CHEMISTRY OF MATERIALS

Machine Learning Energies of 2 Million Elpasolite(ABC2D6)Crystals

(2016) Felix A. Faber et al.   PHYSICAL REVIEW LETTERS

On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system

(2016) W. Travis et al.   Chemical Science

Finding New Perovskite Halides via Machine Learning

(2016) Ghanshyam Pilania et al.   Frontiers in Materials

Big Data of Materials Science: Critical Role of the Descriptor

(2015) Luca M. Ghiringhelli et al.   PHYSICAL REVIEW LETTERS

Readily processed protonic ceramic fuel cells with high performance at low temperatures

(2015) C. Duan et al.   SCIENCE

Classification ofABO3perovskite solids: a machine learning study

(2015) G. Pilania et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

(2015) Scott Kirklin et al.   npj Computational Materials

Solid-state principles applied to organic–inorganic perovskites: new tricks for an old dog

(2014) Gregor Kieslich et al.   Chemical Science

The high-throughput highway to computational materials design

(2013) Stefano Curtarolo et al.   NATURE MATERIALS

Experimental and Computational Investigation of Effect of Sr on NO Oxidation and Oxygen Exchange for La1–xSrxCoO3 Perovskite Catalysts

(2013) Sang Ok Choi et al.   ACS Catalysis

Can we predict the formability of perovskite oxynitrides from tolerance and octahedral factors?

(2013) Wenjie Li et al.   Journal of Materials Chemistry A

How Evolutionary Crystal Structure Prediction Works—and Why

(2011) Artem R. Oganov et al.   ACCOUNTS OF CHEMICAL RESEARCH

Formability ofABX3(X= F, Cl, Br, I) halide perovskites

(2008) Chonghea Li et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Crystal Structure and Microwave Dielectric Properties of Alkaline-Earth Hafnates, AHfO3(A=Ba, Sr, Ca)

(2008) Antonio Feteira et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Crystal structure prediction from first principles

(2008) Scott M. Woodley et al.   NATURE MATERIALS