Data from: Charting the complete elastic properties of inorganic crystalline compounds

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.无机化合物的弹性常数张量（elastic constant tensor）可完整描述该材料在弹性极限内对外界应力的响应行为。该张量可为理解材料内部键合本质提供核心视角，且已知其与诸多力学性能存在密切关联。尽管弹性常数张量意义重大，但目前仅对极少部分已知无机化合物完成了该参数的测量，这一现状限制了材料科学家开发具备目标力学性能新型材料的能力。为弥补这一研究短板，本文发布了迄今为止规模最大的无机化合物弹性性能计算数据库。当前该数据库涵盖1181种无机化合物的完整弹性信息，且数据规模仍在稳步增长。本文详述了该数据库的构建方法，并通过验证测试结果证明了数据的准确性。此外，本文还对数据库格式进行了说明，并介绍了其在材料发现与设计相关研究中的多种访问与分析途径。