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Al4Cs4S6

Structure

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Unit cell
Axis x y z Periodic
1 5.407 0.000 0.000 True
2 0.000 7.338 0.000 True
3 0.000 0.000 12.147 True
Lengths: 5.4077.33812.147
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 2.000
band0 band0 28.825
full_dft_e_hull full_dft_e_hull 0.009
composition composition Cs2Al2S3
e10 e10 28.733
space_group_number space_group_number 59
chemsys chemsys Al-Cs-S
electride electride True
volume Volume of unit cell 482.025 ų
e0025 e0025 0.000
mattersim_e_hull mattersim_e_hull -0.103
band1 band1 30.114
pearson_symbol pearson_symbol oP14
e05 e05 29.479
natoms Number of atoms 14
band_gap band_gap 2.056
dft_e_hull dft_e_hull -0.139
formula Chemical formula Al4Cs4S6