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Al4Cs4S6

Structure

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Unit cell
Axis x y z Periodic
1 5.446 0.000 0.000 True
2 0.000 12.642 0.000 True
3 0.000 0.000 7.200 True
Lengths: 5.44612.6427.200
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 27.775
full_dft_e_hull full_dft_e_hull 0.000
composition composition Cs2Al2S3
e10 e10 27.335
space_group_number space_group_number 44
chemsys chemsys Al-Cs-S
electride electride True
volume Volume of unit cell 495.718 ų
e0025 e0025 0.000
mattersim_e_hull mattersim_e_hull -0.120
band1 band1 27.096
pearson_symbol pearson_symbol oI14
e05 e05 27.307
natoms Number of atoms 14
band_gap band_gap 2.042
dft_e_hull dft_e_hull -0.148
formula Chemical formula Al4Cs4S6