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S14Ba16

Structure

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Unit cell
Axis x y z Periodic
1 9.131 0.000 0.000 True
2 0.000 12.914 0.000 True
3 0.000 0.000 9.134 True
Lengths: 9.13112.9149.134
Angles: 90.00090.00090.000

Interactive Convex Hull

Automatically generated for Ba-S using the curated electride and Materials Project reference phases.

Binary
Generating convex hull for Ba-S…
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Properties

Key Description Value
N_excess N_excess 2.000
band0 band0 34.107
full_dft_e_hull full_dft_e_hull 0.038
composition composition Ba8S7
e10 e10 32.171
space_group_number space_group_number 65
chemsys chemsys Ba-S
electride electride True
volume Volume of unit cell 1077.072 ų
e0025 e0025 0.000
mattersim_e_hull mattersim_e_hull 0.022
band1 band1 0.000
pearson_symbol pearson_symbol oS30
e05 e05 32.171
natoms Number of atoms 30
band_gap band_gap 0.000
dft_e_hull dft_e_hull 0.038
formula Chemical formula Ba16S14