m3gnet_mpf

Figshare2023-05-31 更新2026-04-28 收录

材料性能预测

计算材料学

数据链接：

https://figshare.com/articles/dataset/m3gnet_mpf/23267852 数据链接链接失效反馈

官方服务：

资源简介：

m3gnet dataset https://github.com/materialsvirtuallab/m3gnet 168917 samples to train, 9378 samples to evaluate, and 9389 samples to test

创建时间：

2023-05-31

Materials Data on Li3MnV(PO4)3 by Materials Project

计算材料学

电池材料设计

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 Commons2021-02-05 更新80

The role of molybdenum in suppressing cold dwell fatigue in titanium alloys

钛合金疲劳抑制

计算材料学

This dataset contains supporting data for the publication entitled "The role of molybdenum in suppressing cold dwell fatigue in titanium alloys" by the above authors to be published in Proceedings of

Figshare2017-07-16 更新40

Neural-network-backed evolutionary search for SrTiO3(110) surface reconstructions

材料表面重构预测

计算材料学

The archive "dataset.tar.gz" contains trained models (neural networks), training-, validation- and test-data and selected structures in POSCAR format, obtained in the neural-network-backed evolutionar

NIAID Data Ecosystem30

Materials Data on ZrSiO2 by Materials Project

晶体结构分析

计算材料学

ZrSiO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Zr is bonded to six equivalent O atoms to form distorted edge-sharing ZrO6 octahedra. There are two shor

DataCite Commons2021-02-04 更新60

Materials Data on Mn6O11F by Materials Project

计算材料学

化学结构预测

DataCite Commons2021-02-04 更新40

m3gnet_mpf

资源简介：

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