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P16Ca28

Structure

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Unit cell
Axis x y z Periodic
1 9.847 0.000 0.000 True
2 0.000 13.199 0.000 True
3 0.000 0.000 9.588 True
Lengths: 9.84713.1999.588
Angles: 90.00090.00090.000

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 2.000
band0 band0 26.939
full_dft_e_hull full_dft_e_hull 0.107
composition composition Ca7P4
e10 e10 24.039
space_group_number space_group_number 42
chemsys chemsys Ca-P
electride electride True
volume Volume of unit cell 1246.177 ų
e0025 e0025 20.687
mattersim_e_hull mattersim_e_hull -0.172
band1 band1 0.000
pearson_symbol pearson_symbol oF44
e05 e05 23.255
natoms Number of atoms 44
band_gap band_gap 0.000
dft_e_hull dft_e_hull -0.088
formula Chemical formula Ca28P16