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B2O6Cs8

Structure

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Unit cell
Axis x y z Periodic
1 10.730 0.000 -1.138 True
2 0.000 4.223 0.000 True
3 0.000 0.000 12.853 True
Lengths: 10.7904.22312.853
Angles: 90.00096.05290.000

Interactive Convex Hull

Automatically generated for B-Cs-O using the curated electride and Materials Project reference phases.

Ternary
Generating convex hull for B-Cs-O…
Hover for phase details, drag to zoom, and double-click to reset the view.

Properties

Key Description Value
N_excess N_excess 1.000
band0 band0 25.232
full_dft_e_hull full_dft_e_hull 0.000
composition composition Cs4B1O3
e10 e10 60.048
space_group_number space_group_number 11
chemsys chemsys B-Cs-O
electride electride True
volume Volume of unit cell 582.465 ų
e0025 e0025 56.332
mattersim_e_hull mattersim_e_hull -0.008
band1 band1 0.000
pearson_symbol pearson_symbol mP16
e05 e05 59.305
natoms Number of atoms 16
band_gap band_gap 0.000
dft_e_hull dft_e_hull -0.002
formula Chemical formula Cs8B2O6