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statLearningProject

Tunkie and Marc's project for APPM 5580 List of Features

  • From CSV
    • Lattice angles
    • Lattice vector lengths (scale)
    • compositions
    • spacegroup
  • From .xyz
    • av Coord of all metals
    • av Coord
    • av bond length for every type of bond
    • N(bond)/N(atom)
    • Volume/ Atom
    • Concentration of each atom
  • From elemental properties
    • Average Mass
    • Average Radii (covalent + ionic)
    • Average Volume (covalent + ionic)
    • IE av
    • HOMO av
    • LUMO av
    • EN av
    • EN av (metals)

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