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PCa3

Structure

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Unit cell
Axis x y z Periodic
1 3.610 -2.084 0.000 True
2 0.000 4.169 0.000 True
3 0.000 0.000 9.866 True
Lengths: 4.1694.1699.866
Angles: 90.00090.000120.000

Interactive Convex Hull

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

Binary
Generating convex hull for Ca-P…
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 66.045
full_dft_e_hull full_dft_e_hull 0.114
composition composition Ca3P1
e10 e10 68.060
space_group_number space_group_number 164
chemsys chemsys Ca-P
electride electride True
volume Volume of unit cell 148.483 ų
e0025 e0025 59.609
mattersim_e_hull mattersim_e_hull -0.070
band1 band1 56.830
pearson_symbol pearson_symbol hP4
e05 e05 65.502
natoms Number of atoms 4
band_gap band_gap 0.000
dft_e_hull dft_e_hull -0.020
formula Chemical formula Ca3P