Keywords
Institutes
AFLOW ternary systems dataset
Duke University

Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical …

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  • United States
  • Datasets
  • Year 2018
  • ternary systems
AFLOW binary materials dataset
Duke University

Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical …

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  • United States
  • Datasets
  • Year 2018
  • binary entries materials
AFLOW binary materials dataset
Duke University

Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical …

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  • United States
  • Datasets
  • Year 2018
  • binary materials
AFLOW thermal properties dataset
Duke University

Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical …

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  • United States
  • Datasets
  • Year 2018
  • thermal property
AFLOW elastic property dataset
Duke University

Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical …

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  • United States
  • Datasets
  • Year 2018
  • elastic properties
AFLOW Bader charges dataset
Duke University

Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical …

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  • United States
  • Datasets
  • Year 2018
  • Bader charges
AFLOW band structures dataset
Duke University

Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical …

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  • United States
  • Datasets
  • Year 2018
  • band structures
AFLOW Formation entalphy dataset
Duke University

Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical …

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  • United States
  • Datasets
  • Year 2018
  • Formation entalphy
raw_files VASP files of JARVIS-DFT
National Institute Of Standards And Technology

Figshare links to download raw calculations VASP files from JARVIS-DFT

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  • United States
  • Datasets
  • Year 2018
  • raw calculations VASP JARVIS-DFT
cfid_3d 3D materials properties
National Institute Of Standards And Technology

Various 3D materials properties in JARVIS-DFT database computed with OptB88vdW and TBmBJ methods with CFID

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  • United States
  • Datasets
  • Year 2018
  • 3D materials properties JARVIS