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S3Y6

Structure

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Unit cell
Axis x y z Periodic
1 3.887 0.000 0.000 True
2 0.000 3.887 0.000 True
3 0.000 0.000 15.560 True
Lengths: 3.8873.88715.560
Angles: 90.00090.00090.000

Interactive Convex Hull

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

Binary
Generating convex hull for S-Y…
Hover for phase details, drag to zoom, and double-click to reset the view.

Properties

Key Description Value
N_excess N_excess 4.000
band0 band0 5.823
full_dft_e_hull full_dft_e_hull 0.046
composition composition Y2S1
e10 e10 19.666
space_group_number space_group_number 99
chemsys chemsys S-Y
electride electride True
volume Volume of unit cell 235.120 ų
e0025 e0025 27.792
mattersim_e_hull mattersim_e_hull 0.038
band1 band1 39.277
pearson_symbol pearson_symbol tP9
e05 e05 6.075
natoms Number of atoms 9
band_gap band_gap 0.000
dft_e_hull dft_e_hull 0.046
formula Chemical formula Y6S3