Crystal Structure

structure.vasp — 3Dmol.js
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PropertyValue
FormulaCu4I8(Hdabco)4
Dimensionality1D chain
Crystal systemOrthorhombic
Lattice parametersa = 13.19 Å, b = 9.74 Å, c = 14.90 Å
Cell volume1917 Å3
Formula units (Z)2
Atoms per cell192 (16 I, 8 Cu, 16 N, 104 H, 48 C)

Electronic Structure

Density of States
Density of States (DOS)
Band Structure
Electronic Band Structure

AIMD Trajectory

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