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I6Cs9

Structure

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Unit cell
Axis x y z Periodic
1 4.770 -2.754 0.000 True
2 0.000 5.508 0.000 True
3 0.000 0.000 41.984 True
Lengths: 5.5085.50841.984
Angles: 90.00090.000120.000

Interactive Convex Hull

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

Binary
Generating convex hull for Cs-I…
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Properties

Key Description Value
N_excess N_excess 1.000
band0 band0 49.869
full_dft_e_hull full_dft_e_hull 0.041
composition composition Cs3I2
e10 e10 49.925
space_group_number space_group_number 166
chemsys chemsys Cs-I
electride electride True
volume Volume of unit cell 1102.952 ų
e0025 e0025 0.000
mattersim_e_hull mattersim_e_hull -0.011
band1 band1 0.000
pearson_symbol pearson_symbol hR15
e05 e05 0.000
natoms Number of atoms 15
band_gap band_gap 0.000
dft_e_hull dft_e_hull 0.041
formula Chemical formula Cs9I6