MMI Data HubUNC Charlotte
Back to search page

Al4P6Rb8

Structure

Open ASE's GUI
If the GUI button does not open remotely, use the 3D view above or download the structure.
Unit cell
Axis x y z Periodic
1 13.614 0.000 -1.868 True
2 0.000 4.062 0.000 True
3 0.000 0.000 12.213 True
Lengths: 13.7424.06212.213
Angles: 90.00097.81190.000

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 52.021
full_dft_e_hull full_dft_e_hull 0.061
composition composition Rb4Al2P3
e10 e10 44.051
space_group_number space_group_number 12
chemsys chemsys Al-P-Rb
electride electride True
volume Volume of unit cell 675.374 ų
e0025 e0025 0.000
mattersim_e_hull mattersim_e_hull -0.045
band1 band1 41.832
pearson_symbol pearson_symbol mS18
e05 e05 48.308
natoms Number of atoms 18
band_gap band_gap 0.000
dft_e_hull dft_e_hull 0.009
formula Chemical formula Al4Rb8P6