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P2Ca5

Structure

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Unit cell
Axis x y z Periodic
1 3.629 -2.095 0.000 True
2 0.000 4.191 0.000 True
3 0.000 0.000 16.716 True
Lengths: 4.1914.19116.716
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…
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Properties

Key Description Value
N_excess N_excess 4.000
band0 band0 35.279
full_dft_e_hull full_dft_e_hull 0.112
composition composition Ca5P2
e10 e10 40.982
space_group_number space_group_number 156
chemsys chemsys Ca-P
electride electride True
volume Volume of unit cell 254.235 ų
e0025 e0025 61.727
mattersim_e_hull mattersim_e_hull -0.098
band1 band1 35.512
pearson_symbol pearson_symbol hP7
e05 e05 39.620
natoms Number of atoms 7
band_gap band_gap 0.000
dft_e_hull dft_e_hull -0.041
formula Chemical formula Ca5P2