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S3Y6

Structure

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Unit cell
Axis x y z Periodic
1 3.274 -1.890 0.000 True
2 0.000 3.780 0.000 True
3 0.000 0.000 18.846 True
Lengths: 3.7803.78018.846
Angles: 90.00090.000120.000

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 29.291
full_dft_e_hull full_dft_e_hull 0.035
composition composition Y2S1
e10 e10 41.701
space_group_number space_group_number 156
chemsys chemsys S-Y
electride electride True
volume Volume of unit cell 233.263 ų
e0025 e0025 26.634
mattersim_e_hull mattersim_e_hull 0.018
band1 band1 38.141
pearson_symbol pearson_symbol hP9
e05 e05 38.454
natoms Number of atoms 9
band_gap band_gap 0.000
dft_e_hull dft_e_hull 0.035
formula Chemical formula Y6S3