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P5Y6

Structure

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Unit cell
Axis x y z Periodic
1 3.989 0.000 0.000 True
2 0.000 5.627 0.000 True
3 0.000 0.000 11.929 True
Lengths: 3.9895.62711.929
Angles: 90.00090.00090.000

Interactive Convex Hull

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

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

Properties

Key Description Value
N_excess N_excess 3.000
band0 band0 0.000
full_dft_e_hull full_dft_e_hull 0.016
composition composition Y6P5
e10 e10 19.338
space_group_number space_group_number 47
chemsys chemsys P-Y
electride electride True
volume Volume of unit cell 267.726 ų
e0025 e0025 0.000
mattersim_e_hull mattersim_e_hull -0.003
band1 band1 21.855
pearson_symbol pearson_symbol oP11
e05 e05 26.467
natoms Number of atoms 11
band_gap band_gap 0.000
dft_e_hull dft_e_hull 0.007
formula Chemical formula Y6P5