Data from: Charting the complete elastic properties of inorganic crystalline compounds
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https://datadryad.org/dataset/doi:10.5061/dryad.h505v
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资源简介:
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.
提供机构:
Dryad
创建时间:
2015-03-03



