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Al2P6Ca7

Structure

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Unit cell
Axis x y z Periodic
1 7.227 0.000 -0.731 True
2 0.000 4.100 0.000 True
3 0.000 0.000 12.410 True
Lengths: 7.2644.10012.410
Angles: 90.00095.77290.000

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 21.538
full_dft_e_hull full_dft_e_hull 0.025
composition composition Ca7Al2P6
e10 e10 21.114
space_group_number space_group_number 6
chemsys chemsys Al-Ca-P
electride electride True
volume Volume of unit cell 367.714 ų
e0025 e0025 16.842
mattersim_e_hull mattersim_e_hull -0.053
band1 band1 0.000
pearson_symbol pearson_symbol mP15
e05 e05 21.114
natoms Number of atoms 15
band_gap band_gap 0.000
dft_e_hull dft_e_hull 0.025
formula Chemical formula Al2Ca7P6