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Predict steel yield strength from composition
Predicting steel yield strength from composition
Predict the yield strength of a steel in MPa from its chemical formula alone, over 312 measured alloys.
Predict the highest optical phonon peak frequency
Predicting the highest phonon peak frequency of a crystal
Predict the frequency of the highest optical phonon peak of a crystal, in 1/cm, from its structure.
Predict perovskite cell formation energy from structure
Predicting perovskite formation energy from structure
Predict the DFT heat of formation of a 5-atom perovskite cell in eV from its structure, over 18,928 cells.
Predict PBE band gap from crystal structure
Predicting DFT band gaps from crystal structure
Predict the PBE band gap of a crystal in eV from its structure, over 106,113 Materials Project entries.
Predict formation energy from crystal structure
Predicting formation energy from crystal structure
Predict the DFT formation energy of a crystal in eV/atom from its structure, over 132,752 entries.
Predict log10 shear modulus from crystal structure
Predicting the shear modulus of a crystal
Predict the base-10 logarithm of the DFT Voigt-Reuss-Hill shear modulus of a crystal from its structure.
Predict exfoliation energy from crystal structure
Predicting exfoliation energy of 2D materials
Predict the DFT exfoliation energy of a layered crystal in meV/atom from its structure, over 636 materials.
Classify bulk metallic glass formation from composition
Predicting bulk metallic glass formation from composition
Classify whether an alloy composition forms a full bulk metallic glass, over 5,680 reported ternary alloys.
Predict experimental band gap from composition
Predicting experimental band gaps from a chemical formula
Predict the measured band gap of an inorganic solid in eV from its composition alone, over 4,604 compounds.
Predict refractive index from crystal structure
Predicting refractive index from crystal structure
Predict the computed refractive index of a crystal from its structure, over 4,764 Materials Project entries.