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DFT calculations from: Discovery of a Seven-Coordinated High Pressure CrSb2 Phase: Experimental Equation of State of TMSb2 (TM = Cr, Fe, Ru, Os); Emma Ehrenreich-Petersen, Mads F. Hansen, Justin Jeanneau, Davide Ceresoli, Francesca Menescardi, Martin Ottesen, Vitali Prakapenka, Sergey N. Tkachev and Martin Bremholm; submitted to Inorg. Chem. (2023)
High pressure, DFT, Quantum Espresso, Transition metal dicalchogenide
High pressure, DFT, Quantum Espresso, Transition metal dicalchogenide
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