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P6Ca18

Structure

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Unit cell
Axis x y z Periodic
1 6.030 -3.481 0.000 True
2 0.000 6.963 0.000 True
3 0.000 0.000 20.082 True
Lengths: 6.9636.96320.082
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 3.000
band0 band0 23.666
full_dft_e_hull full_dft_e_hull 0.132
composition composition Ca3P1
e10 e10 73.362
space_group_number space_group_number 167
chemsys chemsys Ca-P
electride electride True
volume Volume of unit cell 843.197 ų
e0025 e0025 79.134
mattersim_e_hull mattersim_e_hull -0.057
band1 band1 70.521
pearson_symbol pearson_symbol hR24
e05 e05 59.307
natoms Number of atoms 24
band_gap band_gap 0.000
dft_e_hull dft_e_hull -0.002
formula Chemical formula Ca18P6