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Materials Properties Classification

The classification explained below complements the more general one introduced here. We further classify the Properties of Materials according to the conventions below.

By origin By domain
Elemental Chemical
Primary Electrical
Compound Electronic
Custom Magnetic

By origin

We further make the following sub-categorization for Materials Properties, following the Exabyte Data Convention.

  • elemental: entirely defined by pure elements and inherited by compounds without modification (eg. electronegativity, atomic weight).
  • primary: directly available properties specific to material (can be of all types, for example characteristic or descriptive).
    • structural: we separate structural properties as the most fundamental group.
  • compound: combined properties defined through others, eg. (property 1 + property 2) / 2, Log (property 1 - property 2).
  • custom: user-defined properties (eg. from imported/uploaded data).

By domain

The following domains of materials properties (with shortlists of examples) can be considered:

  • Chemical:
    • reaction barrier height
    • diffusion barrier height
  • Electrical:
    • resistivity
    • i-v curve
    • dielectric matrix
    • electric susceptibility
  • Electronic:
    • band gap(s)
    • band structure
    • density of states
    • charge density map
    • fermi surface
    • HOMO-LUMO gap
  • Magnetic:
    • magnetic susceptibility
    • magnetic moment
  • Mechanical:
    • hardness
    • bulk modulus
    • shear modulus
    • poisson ratio
  • Optical:
    • absorption spectra
  • Thermal:
    • thermopower
    • heat capacity
  • Thermodynamic:
    • formation energy
    • melting temperature
    • superconducting transition temperature
  • Vibrational:
    • zero point energy
    • phonon dispersions
    • phonon density of states
    • electron-phonon coupling
  • Other:
    • other properties that do not fit the above classification