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PCa3

Structure

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Unit cell
Axis x y z Periodic
1 4.149 -2.396 0.000 True
2 0.000 4.791 0.000 True
3 0.000 0.000 6.200 True
Lengths: 4.7914.7916.200
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 61.389
full_dft_e_hull full_dft_e_hull 0.160
composition composition Ca3P1
e10 e10 71.215
space_group_number space_group_number 164
chemsys chemsys Ca-P
electride electride True
volume Volume of unit cell 123.242 ų
e0025 e0025 0.000
mattersim_e_hull mattersim_e_hull -0.070
band1 band1 66.264
pearson_symbol pearson_symbol hP4
e05 e05 68.106
natoms Number of atoms 4
band_gap band_gap 0.000
dft_e_hull dft_e_hull 0.026
formula Chemical formula Ca3P