A combined machine-learning and DFT screening predicts 12 B-C-N compounds with TC >= 10 K and identifies Tb3Ni2O7 and Ac3Ni2O7 as potential high-TC nickelate superconductors, all pending experimental confirmation.
Kitchin, Big data, new epistemologies and paradigm shifts , Big Data Soc
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Machine learning-accelerated search of superconductors in B-C-N based compounds and R3Ni2O7-type nickelates
A combined machine-learning and DFT screening predicts 12 B-C-N compounds with TC >= 10 K and identifies Tb3Ni2O7 and Ac3Ni2O7 as potential high-TC nickelate superconductors, all pending experimental confirmation.