MMI Data HubUNC Charlotte
Back to search page

Al2Cs4S4

Structure

Open ASE's GUI
If the GUI button does not open remotely, use the 3D view above or download the structure.
Unit cell
Axis x y z Periodic
1 9.901 0.000 0.000 True
2 0.000 9.901 0.000 True
3 0.000 0.000 5.928 True
Lengths: 9.9019.9015.928
Angles: 90.00090.00090.000

Interactive Convex Hull

Automatically generated for Al-Cs-S using the curated electride and Materials Project reference phases.

Ternary
Generating convex hull for Al-Cs-S…
Hover for phase details, drag to zoom, and double-click to reset the view.

Properties

Key Description Value
N_excess N_excess 1.000
band0 band0 73.923
full_dft_e_hull full_dft_e_hull 0.065
composition composition Cs2Al1S2
e10 e10 74.459
space_group_number space_group_number 132
chemsys chemsys Al-Cs-S
electride electride True
volume Volume of unit cell 581.126 ų
e0025 e0025 0.000
mattersim_e_hull mattersim_e_hull -0.090
band1 band1 0.000
pearson_symbol pearson_symbol tP10
e05 e05 73.508
natoms Number of atoms 10
band_gap band_gap 0.000
dft_e_hull dft_e_hull -0.065
formula Chemical formula Al2Cs4S4