UCr6Ge6 forms a modulated monoclinic structure with Cr kagome flatbands near the Fermi level and exhibits Pauli paramagnetism from itinerant uranium 5f electrons, contrasting with localized behavior in other 166 compounds.
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A crystal fractional graph neural network fuses local graph attention on 16-atom environments with global composition fractions to predict high-entropy alloy energies at RMSE levels comparable to first-principles calculations on quaternary test structures.
First-principles spin-model calculation of magnon spectra in NiPS3 explains field-induced ground-state transitions and a topologically protected Dirac nodal line that persists under external and anisotropy fields.
citing papers explorer
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Structural modulation, physical properties, and electronic band structure of the kagome metal UCr$_6$Ge$_6$
UCr6Ge6 forms a modulated monoclinic structure with Cr kagome flatbands near the Fermi level and exhibits Pauli paramagnetism from itinerant uranium 5f electrons, contrasting with localized behavior in other 166 compounds.
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Crystal Fractional Graph Neural Network for Energy Prediction of High-Entropy Alloys
A crystal fractional graph neural network fuses local graph attention on 16-atom environments with global composition fractions to predict high-entropy alloy energies at RMSE levels comparable to first-principles calculations on quaternary test structures.
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Spin Wave Dispersion of the van der Waals Antiferromagnet NiPS$_3$
First-principles spin-model calculation of magnon spectra in NiPS3 explains field-induced ground-state transitions and a topologically protected Dirac nodal line that persists under external and anisotropy fields.