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N4Ba8

Structure

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Unit cell
Axis x y z Periodic
1 4.054 0.000 0.000 True
2 0.000 7.031 0.000 True
3 0.000 0.000 15.264 True
Lengths: 4.0547.03115.264
Angles: 90.00090.00090.000

Interactive Convex Hull

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

Binary
Generating convex hull for Ba-N…
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Properties

Key Description Value
N_excess N_excess 1.000
band0 band0 59.425
full_dft_e_hull full_dft_e_hull 0.018
composition composition Ba2N1
e10 e10 55.615
space_group_number space_group_number 36
chemsys chemsys Ba-N
electride electride True
volume Volume of unit cell 435.099 ų
e0025 e0025 52.762
mattersim_e_hull mattersim_e_hull -0.000
band1 band1 0.000
pearson_symbol pearson_symbol oS12
e05 e05 56.802
natoms Number of atoms 12
band_gap band_gap 0.000
dft_e_hull dft_e_hull 0.018
formula Chemical formula Ba8N4