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Si2P6Rb12

Structure

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Unit cell
Axis x y z Periodic
1 9.225 0.000 -2.181 True
2 0.000 5.513 0.000 True
3 0.000 0.000 16.034 True
Lengths: 9.4795.51316.034
Angles: 90.000103.30490.000

Interactive Convex Hull

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

Ternary
Generating convex hull for P-Rb-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 29.899
full_dft_e_hull full_dft_e_hull 0.000
composition composition Rb6Si1P3
e10 e10 27.663
space_group_number space_group_number 11
chemsys chemsys P-Rb-Si
electride electride True
volume Volume of unit cell 815.418 ų
e0025 e0025 45.857
mattersim_e_hull mattersim_e_hull -0.078
band1 band1 15.098
pearson_symbol pearson_symbol mP20
e05 e05 48.050
natoms Number of atoms 20
band_gap band_gap 0.000
dft_e_hull dft_e_hull -0.053
formula Chemical formula Rb12P6Si2