Materials Properties Services

Materials Properties Service: New Service Based On MedeA

Materials Design, Inc. is excited to offer a new service:

Benefit from our MedeA® technology to get the valuable materials properties you need – reliably, economically and saving your valuable time

So if you are...
...looking to better guide and focus for your experimental work
...going after the properties where experiments are difficult, dangerous or costly
...keen to understand different scenarios and explain experimental results
...interested to run screening series modifying the structure of the materials
then this service is ideally suited to your needs.

You get the answers you need – timely and economically, compared to any alternative solution. You get the best from MedeA and experience first-hand what it can do in practical setting – but don’t have to invest the time in it yourself, at least for now.

To make this service economical for you, we prepared the catalogue of properties that can be calculated efficiently. Clearly, MedeA can address systems and properties of much greater complexity – but this would require different investment on your part.

Here’s how it works:

  • review our catalogue of properties and a few criteria for the materials systems
  • contact us at with
    • the description of your system(s) … the more precise you can be (e.g. if you have ICSD or CAS references), the faster (and less costly) you get the results
    • the set of properties from the catalogue you need
  • we rapidly come back to you with the confirmation of feasibility, pricing, payment and delivery timelines - and a simple order form
  • once all simple formalities are in place, we will issue the order confirmation
  • our team will get the agreed properties and appropriate accuracy estimates, using our MedeA environment - no later than the stated timelines (which mostly depend on the complexity of your systems).

Class Of Properties Block Of Properties
Mechanical Elastic coefficients
Moduli properties - Bulk, Young’s, Shear
Velocity of sound
Thermal linear expansion coefficients
Thermochemical Spectra – IR, Raman, Phonon
Heat capacity
Enthalpy, entropy, Gibbs free energy
Reaction energies (multi-system)
Electronic Thermoelectric power (Seebeck coefficient)
Electronic specific heat
Pauli paramagnetic susceptibility
Fermi surfaces (3D rendering of isoenergy)
Effect of doping on Fermi surface
Optical Refractive index
Extinction coefficient

In order to manage computing load, we have to limit the materials systems to the maximum of 50 atoms.

There may be additional requirements on the systems depending on specific properties – we will revert to you in the confirmation of feasibility.

Note that we constantly work to extend our offering – so if you feel you need properties which are not listed – contact us at