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P2Ca6

Structure

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Unit cell
Axis x y z Periodic
1 4.082 0.000 0.000 True
2 0.000 5.651 0.000 True
3 0.000 0.000 12.380 True
Lengths: 4.0825.65112.380
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 3.000
band0 band0 71.761
full_dft_e_hull full_dft_e_hull 0.111
composition composition Ca3P1
e10 e10 72.469
space_group_number space_group_number 71
chemsys chemsys Ca-P
electride electride True
volume Volume of unit cell 285.553 ų
e0025 e0025 0.000
mattersim_e_hull mattersim_e_hull -0.078
band1 band1 68.966
pearson_symbol pearson_symbol oI8
e05 e05 72.212
natoms Number of atoms 8
band_gap band_gap 0.000
dft_e_hull dft_e_hull -0.023
formula Chemical formula Ca6P2