Keywords
Institutes
twod_matpd Formation energy and bandgaps of 2D materials
The National Institute Of Standards And Technology (Nist)

Formation energy and bandgaps of 2D materials properties in 2DMatPedia database

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  • Year 2018
  • Formation energy and bandgaps of 2D materials
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megnet Formation energy and bandgaps of 3D materials
The National Institute Of Standards And Technology (Nist)

Formation energy and bandgaps of 3D materials properties in Materials project database as on 2018, used in megnet

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  • Year 2018
  • Formation energy and bandgaps
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edos_pdos electron and phonon density of states dataset
The National Institute Of Standards And Technology (Nist)

Normalized electron and phonon density of states with interpolated values and fixed number of bins

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  • Year 2018
  • electron and phonon density of states
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jff 3D materials properties
The National Institute Of Standards And Technology (Nist)

Various 3D materials properties in JARVIS-FF database computed with several force-fields from jarvis.db.figshare import data d = data('dft_3d') #choose a name of dataset from above # See available keys print (d[0].keys()) # Dataset size print(len(d)) # Visualize an atoms object from jarvis.core.atoms import Atoms a = Atoms.from_dict(d[0]['atoms']) #You can visualize …

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  • United States
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  • Year 2018
  • 3D materials properties in JARVIS-FF
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jff 3D materials properties
The National Institute Of Standards And Technology (Nist)

Various 3D materials properties in JARVIS-FF database computed with several force-fields

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  • Wannier tight-binding Hamiltonian for phonons
Source Institution Site
wtbh_phonon 3D and 2D materials Wannier tight-binding Hamiltonian for phonons
The National Institute Of Standards And Technology (Nist)

3D and 2D materials Wannier tight-binding Hamiltonian for phonons at Gamma with finite difference (Keyword:FD-ELAST)

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  • Wannier tight-binding Hamiltonian for phonons
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wtbh_electron 3D and 2D materials Wannier tight-binding Hamiltonian dtabase
The National Institute Of Standards And Technology (Nist)

3D and 2D materials Wannier tight-binding Hamiltonian dtabase for electrons with spin-orbit coupling in JARVIS-WTB (Keyword: ‘WANN’)

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  • United States
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  • Year 2018
  • STM images 2D materials
Source Institution Site
STM images
The National Institute Of Standards And Technology (Nist)

2D materials STM images in JARVIS-STM database

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  • United States
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  • Year 2018
  • STM images 2D materials
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DFT_2D
The National Institute Of Standards And Technology (Nist)

Various 2D materials properties in JARVIS-DFT database computed with OptB88vdW

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  • Year 2018
  • 3D materials properties JARVIS
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DFT_3D Various 3D materials properties in JARVIS-DFT database computed with OptB88vdW and TBmBJ methods
The National Institute Of Standards And Technology (Nist)

DFT_3D Various 3D materials properties in JARVIS-DFT database computed with OptB88vdW and TBmBJ methods

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  • United States
  • Datasets
  • Year 2018
  • 3D materials properties JARVIS
Source Institution Site