β-(ET)₂AuI₂

Conditions

Material	β-(ET)₂AuI₂
Temperature	120.0 K
Pressure	Ambient

Parameters

a	6.570 Å	α	95.84 °
b	8.891 Å	β	96.22 °
c	15.299 Å	γ	110.67 °
Volume		821.756 Å³

Symmetry

Cell setting	Triclinic
Spacegroup	P -1
# Symmetry ops.	2

3D Crystal Structure

Color

Model

Display

Molecule # 1
Molecule # 2
Molecule # 3
Molecule # 4
Molecule # 5
Molecule # 6

Molecule # 7
Molecule # 8
Molecule # 9

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 (4)