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Al4Cs4S6

Structure

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Unit cell
Axis x y z Periodic
1 11.791 0.000 -5.790 True
2 0.000 5.367 0.000 True
3 0.000 0.000 7.934 True
Lengths: 13.1365.3677.934
Angles: 90.000116.15590.000

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 2.000
band0 band0 20.579
full_dft_e_hull full_dft_e_hull 0.014
composition composition Cs2Al2S3
e10 e10 20.986
space_group_number space_group_number 8
chemsys chemsys Al-Cs-S
electride electride True
volume Volume of unit cell 502.087 ų
e0025 e0025 0.000
mattersim_e_hull mattersim_e_hull -0.089
band1 band1 21.530
pearson_symbol pearson_symbol mS14
e05 e05 20.796
natoms Number of atoms 14
band_gap band_gap 2.316
dft_e_hull dft_e_hull -0.134
formula Chemical formula Al4Cs4S6