title: Charting the complete elastic properties of inorganic crystalline compounds.
abstract: The elastic constant tensor of an inorganic compound provides a complete description of the response of the material to external stresses in the elastic limit. It thus provides fundamental insight into the nature of the bonding in the material, and it is known to correlate with many mechanical properties. Despite the importance of the elastic constant tensor, it has been measured for a very small fraction of all known inorganic compounds, a situation that limits the ability of materials scientists to develop new materials with targeted mechanical responses. To address this deficiency, we present here the largest database of calculated elastic properties for inorganic compounds to date. The database currently contains full elastic information for 1,181 inorganic compounds, and this number is growing steadily. The methods used to develop the database are described, as are results of tests that establish the accuracy of the data. In addition, we document the database format and describe the different ways it can be accessed and analyzed in efforts related to materials discovery and design.
authors.affiliation: Department of Materials Science and Engineering, University of California , Berkeley, California 94720, USA.
authors.forename: Maarten
authors.initials: M
authors.lastname: de Jong
authors.affiliation: Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory , Berkeley, California 94720, USA.
authors.forename: Wei
authors.initials: W
authors.lastname: Chen
authors.affiliation: Department of Materials Science and Engineering, University of California , Berkeley, California 94720, USA.
authors.forename: Thomas
authors.initials: T
authors.lastname: Angsten
authors.affiliation: Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory , Berkeley, California 94720, USA.
authors.forename: Anubhav
authors.initials: A
authors.lastname: Jain
authors.affiliation: Computational and Applied Statistics Laboratory, San Diego Supercomputer Center, University of California , San Diego, California 92093, USA.
authors.forename: Randy
authors.initials: R
authors.lastname: Notestine
authors.affiliation: Computational and Applied Statistics Laboratory, San Diego Supercomputer Center, University of California , San Diego, California 92093, USA.
authors.forename: Anthony
authors.initials: A
authors.lastname: Gamst
authors.affiliation: Department of Materials Science 3ME, Delft University of Technology , Delft 2628CD, The Netherlands.
authors.forename: Marcel
authors.initials: M
authors.lastname: Sluiter
authors.affiliation: Department of Applied Physics, Eindhoven University of Technology , Eindhoven 5600MB, The Netherlands.
authors.forename: Chaitanya
authors.initials: C
authors.lastname: Krishna Ande
authors.affiliation: Department of Aerospace Engineering, Delft University of Technology , Delft 2629HS, The Netherlands.
authors.forename: Sybrand
authors.initials: S
authors.lastname: van der Zwaag
authors.affiliation: Center for Materials Genomics, Department of Mechanical Engineering and Materials Science, Duke University , Durham, North Carolina 27708, USA.
authors.forename: Jose J
authors.initials: JJ
authors.lastname: Plata
authors.affiliation: Center for Materials Genomics, Department of Mechanical Engineering and Materials Science, Duke University , Durham, North Carolina 27708, USA.
authors.forename: Cormac
authors.initials: C
authors.lastname: Toher
authors.affiliation: Center for Materials Genomics, Materials Science, Electrical Engineering, Physics and Chemistry, Duke University , Durham, North Carolina 27708, USA.
authors.forename: Stefano
authors.initials: S
authors.lastname: Curtarolo
authors.affiliation: Department of Materials Science and Engineering, Massachusetts Institute of Technology , 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA.
authors.forename: Gerbrand
authors.initials: G
authors.lastname: Ceder
authors.affiliation: Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory , Berkeley, California 94720, USA.
authors.forename: Kristin A
authors.initials: KA
authors.lastname: Persson
authors.affiliation: Department of Materials Science and Engineering, University of California , Berkeley, California 94720, USA.
authors.forename: Mark
authors.initials: M
authors.lastname: Asta