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NLi6

Structure

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Unit cell
Axis x y z Periodic
1 3.080 -1.778 0.000 True
2 0.000 3.556 0.000 True
3 0.000 0.000 10.453 True
Lengths: 3.5563.55610.453
Angles: 90.00090.000120.000

Interactive Convex Hull

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

Binary
Generating convex hull for Li-N…
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Properties

Key Description Value
N_excess N_excess 3.000
band0 band0 77.512
full_dft_e_hull full_dft_e_hull 0.036
composition composition Li6N1
e10 e10 0.000
space_group_number space_group_number 164
chemsys chemsys Li-N
electride electride True
volume Volume of unit cell 114.463 ų
e0025 e0025 42.536
mattersim_e_hull mattersim_e_hull 0.045
band1 band1 0.000
pearson_symbol pearson_symbol hP7
e05 e05 42.497
natoms Number of atoms 7
band_gap band_gap 0.000
dft_e_hull dft_e_hull 0.033
formula Chemical formula Li6N