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S18Ba20

Structure

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Unit cell
Axis x y z Periodic
1 6.449 0.000 0.000 True
2 0.000 32.255 0.000 True
3 0.000 0.000 6.449 True
Lengths: 6.44932.2556.449
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 26.368
full_dft_e_hull full_dft_e_hull 0.025
composition composition Ba10S9
e10 e10 24.269
space_group_number space_group_number 65
chemsys chemsys Ba-S
electride electride True
volume Volume of unit cell 1341.447 ų
e0025 e0025 22.853
mattersim_e_hull mattersim_e_hull 0.021
band1 band1 0.000
pearson_symbol pearson_symbol oS38
e05 e05 23.956
natoms Number of atoms 38
dft_e_hull dft_e_hull 0.025
formula Chemical formula Ba20S18