Material Properties

We harvest a range of materials properties from international sources as well as calculate additional attributes for use in our machine learning program.

Sourced Attributes

• DFT type
• Band gap
• Density
• Energy
• Energy per atom
• Fermi energy
• Gap type
• Geometry information (angles, lengths)
• K-points
• Number of atoms
• Space group
• Stoichiometry
• Volume

Computed Attributes

Effective mass (in testing phase)

We are calculating effective mass m^* using parabolic approximation. This attribute is currently undergoing testing.

Need Something Extra?

It's entirely possible that we can add extra attributes, be they sourced from other providers or computed internally, that your project requires to our system. Get in touch with us.