材料学数据库

(更新中...)

原子半径
元素周期表
专利下载(好用)
文献图线数据提取(很特别)

......

三维材料

• Inorganic Crystal Structure Database (ICSD) (商业)

• SpringerMaterials - properties of materials, (商业)

• American Mineralogist Crystal Structure Database

• Crystalstar

• RRUFF Project: Database of Raman spectroscopy, X-ray diffraction and chemistry of minerals

• Materials Project, (含能带)

• AFLOW distributed materials property repository (含能带)

• Crystallography Open Database

• Open Quantum Materials Database (OQMD)

• Citrine Informatics

• NRELMatDB

• Computional Materials Repository Projects

• Big Data Materials in peking university(含能带，HSE能带，材料基因数据库)

• JARVIS-DFT (含能带)

• Materialsweb

• Materiae (含能带，加SOC能带)

• Inorganic Material Database (AtomWork)

• Computational Electronic Structure Database (CompES-X) (含能带)

• Superconducting Material Database (SuperCon)

• NOMAD Repository

二维材料

• JARVIS-DFT (含能带)

• Materials Cloud --- 2D structures and layered materials (含能带)

磁性结构

• MAGNDATA

声子谱

• Phonon database at Kyoto university

• Phonon website

• Phonon Dispersion Relations Database

• Materials Cloud --- 2D structures and layered materials

• JARVIS-DFT

力场

• NIST --Interatomic Potentials Repository

• OpenKIM

• JARVIS for Force-fields

• ReaxFF force fields: Included Forcefields

  EAM potentials
  

对称性

• Character Tables for Point Groups used in Chemistry (Single point group)

• Bilbao Crystallographic Server

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