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Al3P4Rb4

Structure

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Unit cell
Axis x y z Periodic
1 5.854 0.000 0.000 True
2 0.000 5.854 0.000 True
3 0.000 0.000 11.464 True
Lengths: 5.8545.85411.464
Angles: 90.00090.00090.000

Interactive Convex Hull

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

Ternary
Generating convex hull for Al-P-Rb…
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 48.992
full_dft_e_hull full_dft_e_hull 0.000
composition composition Rb4Al3P4
e10 e10 43.576
space_group_number space_group_number 111
chemsys chemsys Al-P-Rb
electride electride True
volume Volume of unit cell 392.814 ų
e0025 e0025 48.633
mattersim_e_hull mattersim_e_hull -0.167
band1 band1 0.000
pearson_symbol pearson_symbol tP11
e05 e05 48.291
natoms Number of atoms 11
band_gap band_gap 0.000
dft_e_hull dft_e_hull -0.064
formula Chemical formula Al3Rb4P4