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Bulk Structures
Name
Compound Formula
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# Atoms
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Energy (eV)
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Energy Method
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Crystal - PBE (Light)
Crystal - PBE (Tight)
Crystal - B3LYP (Light)
Crystal - B3LYP (Tight)
Crystal - PBE + Dispersion (Light)
Crystal - PBE + Dispersion (Tight)
Crystal - B3LYP + Dispersion (Light)
Crystal - B3LYP + Dispersion (Tight)
Space Group
Status
Published
Best Calculated
Calculated
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