MMI Data HubUNC Charlotte
Back to search page

Si2P6Rb12

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 12.478 0.000 -10.080 True
2 0.000 5.661 0.000 True
3 0.000 0.000 12.339 True
Lengths: 16.0415.66112.339
Angles: 90.000128.93490.000

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 53.454
full_dft_e_hull full_dft_e_hull 0.033
composition composition Rb6Si1P3
e10 e10 35.184
space_group_number space_group_number 8
chemsys chemsys P-Rb-Si
electride electride True
volume Volume of unit cell 871.514 ų
e0025 e0025 51.586
mattersim_e_hull mattersim_e_hull -0.057
band1 band1 9.085
pearson_symbol pearson_symbol mS20
e05 e05 54.806
natoms Number of atoms 20
band_gap band_gap 0.000
dft_e_hull dft_e_hull -0.020
formula Chemical formula Rb12P6Si2