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Si2P6Cs12

Structure

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Unit cell
Axis x y z Periodic
1 9.643 0.000 -2.264 True
2 0.000 5.754 0.000 True
3 0.000 0.000 16.540 True
Lengths: 9.9055.75416.540
Angles: 90.000103.21190.000

Interactive Convex Hull

Automatically generated for Cs-P-Si using the curated electride and Materials Project reference phases.

Ternary
Generating convex hull for Cs-P-Si…
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 28.243
full_dft_e_hull full_dft_e_hull 0.023
composition composition Cs6Si1P3
e10 e10 28.456
space_group_number space_group_number 11
chemsys chemsys Cs-P-Si
electride electride True
volume Volume of unit cell 917.807 ų
e0025 e0025 38.079
mattersim_e_hull mattersim_e_hull 0.005
band1 band1 0.000
pearson_symbol pearson_symbol mP20
e05 e05 43.150
natoms Number of atoms 20
band_gap band_gap 0.000
dft_e_hull dft_e_hull 0.023
formula Chemical formula Cs12P6Si2