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Al4P12Ca16

Structure

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Unit cell
Axis x y z Periodic
1 12.937 0.000 -0.303 True
2 0.000 7.911 0.000 True
3 0.000 0.000 7.533 True
Lengths: 12.9417.9117.533
Angles: 90.00091.34390.000

Interactive Convex Hull

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

Ternary
Generating convex hull for Al-Ca-P…
Hover for phase details, drag to zoom, and double-click to reset the view.

Properties

Key Description Value
N_excess N_excess 2.000
band0 band0 49.516
full_dft_e_hull full_dft_e_hull 0.047
composition composition Ca4Al1P3
e10 e10 48.819
space_group_number space_group_number 9
chemsys chemsys Al-Ca-P
electride electride True
volume Volume of unit cell 771.030 ų
e0025 e0025 0.000
mattersim_e_hull mattersim_e_hull -0.003
band1 band1 48.963
pearson_symbol pearson_symbol mS32
e05 e05 49.221
natoms Number of atoms 32
band_gap band_gap 0.000
dft_e_hull dft_e_hull 0.041
formula Chemical formula Al4Ca16P12