CaSO4O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two CaSO4 sheets oriented in the (0, 1, 0) direction. I

DataCite Commons2021-02-04 更新110

Data from Prediction for Mechanical Properties of Lean Duplex Stainless Steel by Using Random Forest

材料性能预测

材料机器学习

Lean duplex stainless steel (LDSS), which is expected to apply to infrastructures, exhibits rounded shape of stress-strain curve. For this reason, a constitutive equation which is able to accurately e

NIAID Data Ecosystem70

Predicting the Structure Stability of Layered Heteroanionic Materials Exhibiting Anion Order

材料性能预测

异阴离子材料设计

We report a workflow for heteroanionic materials discovery using Pauling’s second rule to filter for and predict new candidate materials for synthesis with reduced computational overhead. Using oxyflu

Figshare2019-09-17 更新50

Computational 2D Materials Database (C2DB)

二维材料计算

材料性能预测

The database contains structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around 4000 two-dimensional (2D) materials distributed over more than 50 different crystal str

Figshare2021-05-19 更新90

Materials Data on Li4Ti2Co3Sn3O16 by Materials Project

计算材料学

材料性能预测

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For

DataCite Commons2021-02-04 更新70

Processed Data: Structure-Property Relationship

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