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Figure 8
Energy frameworks for a 2×2×2 supercell viewed down the crystallographic b axis for the threefold interpenetrated crystal structure. The red-colored frame shows the Coulombic energy, green shows dispersion, and blue shows total energy. |
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Figure 8
Energy frameworks for a 2×2×2 supercell viewed down the crystallographic b axis for the threefold interpenetrated crystal structure. The red-colored frame shows the Coulombic energy, green shows dispersion, and blue shows total energy. |