κ-(ET)2Cu[N(CN)2]Br

Conditions

Materialκ-(ET)2Cu[N(CN)2]Br
Temperature20.0 K
PressureAmbient

Parameters

a12.871 Åα90 °
b29.548 Åβ90 °
c8.466 Åγ90 °
Volume3219.724 Å3

Symmetry

Cell settingOrthorhombic
SpacegroupP n m a
# Symmetry ops.8

3D Crystal Structure

None detected

2D Electronic Structure

Filling used: 0.750


Band path
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6-311G*
3-21G
6-311G
6-31G
6-31G*
def2-SVP

2D Crystal Structure

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Show hoppings (6-311G)
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Associated measurements (49)