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• W2950479224 endingPage "405902" @default.
• W2950479224 startingPage "405902" @default.
• W2950479224 abstract "Abstract Based on high throughput density functional theory calculations, we evaluated systematically the stability of 580 M 2 AX compounds. The thermodynamic, mechanical, and dynamical stability and the magnetic structure are calculated. We found 20 compounds fulfilling all three stability criteria, confirming Cr 2 AlC, Cr 2 GeC, Cr 2 GaC, Cr 2 GaN, and Mn 2 G aC, which have been synthesized. The stability trends with respect to the M- and A-elements are discussed by analyzing the formation energies, indicating that Cr and Mn containing M 2 AX compounds are more stable than Fe, Co, or Ni containing compounds. Further insights on the stability are obtained by detailed analysis of the crystal orbital Hamilton population (COHP)." @default.
• W2950479224 created "2019-06-27" @default.
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• W2950479224 date "2019-07-15" @default.
• W2950479224 modified "2023-10-14" @default.
• W2950479224 title "Stability predictions of magnetic M₂AX compounds" @default.
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• W2950479224 doi "https://doi.org/10.1088/1361-648x/ab2bd1" @default.
• W2950479224 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31226705" @default.
• W2950479224 hasPublicationYear "2019" @default.
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