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I28Rb32

Structure

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Unit cell
Axis x y z Periodic
1 10.597 0.000 0.000 True
2 0.000 15.017 0.000 True
3 0.000 0.000 21.262 True
Lengths: 10.59715.01721.262
Angles: 90.00090.00090.000

Interactive Convex Hull

Automatically generated for I-Rb using the curated electride and Materials Project reference phases.

Binary
Generating convex hull for I-Rb…
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Properties

Key Description Value
N_excess N_excess 1.000
band0 band0 46.755
full_dft_e_hull full_dft_e_hull 0.048
composition composition Rb8I7
e10 e10 51.712
space_group_number space_group_number 69
chemsys chemsys I-Rb
electride electride True
volume Volume of unit cell 3383.685 ų
e0025 e0025 0.000
mattersim_e_hull mattersim_e_hull -0.025
band1 band1 0.000
pearson_symbol pearson_symbol oF60
e05 e05 51.712
natoms Number of atoms 60
band_gap band_gap 0.051
dft_e_hull dft_e_hull 0.048
formula Chemical formula Rb32I28