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Estimate ZT and the supporting thermoelectric properties for an inorganic crystal structure. The API can relax the structure, compute phonons and minimum thermal conductivity, predict Seebeck coefficients and band gap, and assemble a fast screening estimate using NequIP-OAM-XL, phonopy, WTE, and ALIGNN.
Fast screening of inorganic crystal structures for thermoelectric performance from a CIF file.
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