Dy10Sn6AuSe
High-Entropy Materials HEAMP-ID: mp-3296056 · Space group: P-31m (#162)
Basic Information
Formula
Dy10Sn6AuSe
MP-ID
mp-3296056
Elements
4
Sites
18
Density
9.0890
g/cm³
Volume
477.43
ų
Cell a
9.1024
Å
Cell b
9.1024
Å
Cell c
6.6537
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-31m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 11.22 | 7.8829 | 2.0 | (1,0,-1,0) |
| 17.44 | 5.0846 | 1.9 | (1,0,-1,1) |
| 19.50 | 4.5512 | 4.2 | (2,-1,-1,0) |
| 23.69 | 3.7565 | 3.1 | (2,-1,-1,1) |
| 26.80 | 3.3269 | 6.7 | (0,0,0,2) |
| 29.13 | 3.0651 | 2.1 | (1,0,-1,2) |
| 29.99 | 2.9795 | 6.4 | (3,-1,-2,0) |
| 32.94 | 2.7193 | 67.0 | (3,-1,-2,1) |
| 33.36 | 2.6858 | 100.0 | (2,-1,-1,2) |
| 34.12 | 2.6276 | 20.1 | (0,3,-3,0) |
| 34.12 | 2.6276 | 40.3 | (3,0,-3,0) |
| 39.60 | 2.2756 | 2.7 | (4,-2,-2,0) |
| 40.65 | 2.2195 | 3.4 | (3,-1,-2,2) |
| 41.96 | 2.1532 | 1.7 | (4,-2,-2,1) |
| 43.57 | 2.0771 | 11.0 | (4,-1,-3,1) |
| 46.06 | 1.9707 | 3.9 | (4,0,-4,0) |
| 48.47 | 1.8782 | 25.9 | (4,-2,-2,2) |
| 51.36 | 1.7791 | 6.3 | (1,2,-3,3) |
| 51.36 | 1.7791 | 12.7 | (3,-1,-2,3) |
| 52.43 | 1.7452 | 11.3 | (5,-2,-3,1) |
| 53.25 | 1.7202 | 6.3 | (4,1,-5,0) |
| 53.25 | 1.7202 | 3.1 | (5,-1,-4,0) |
| 54.09 | 1.6956 | 2.0 | (0,4,-4,2) |
| 54.09 | 1.6956 | 4.0 | (4,0,-4,2) |
Energy Properties
Formation Energy/atom
-1.03654
eV/atom
Energy/atom
-30.65830
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.6583
eV/atom
Volume/atom
26.52
ų
c/a Ratio
0.7310
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.2697
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000560
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.556
Element Family
Lanthanide
Solute Fraction
0.444
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0139
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.4296
J/mol·K
Ω Parameter
9.8864
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.239%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4717
smaller = more stable mixing
VEC
7.722
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.026
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7314
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296056
Reference Citation
The crystal structure and related material properties of Dy10Sn6AuSe were obtained from the Materials Project database (MP-ID: mp-3296056, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Dy10Sn6AuSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.10237134
_cell_length_b 9.10237193
_cell_length_c 6.65373652
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999786
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy10Sn6AuSe
_chemical_formula_sum 'Dy10 Sn6 Au1 Se1'
_cell_volume 477.42523013
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy Dy0 1 0.25844379 0.00000000 0.74329744 1.0
Dy Dy1 1 0.74155621 0.00000000 0.25670256 1.0
Dy Dy2 1 0.00000000 0.25844379 0.74329744 1.0
Dy Dy3 1 1.00000000 0.74155621 0.25670256 1.0
Dy Dy4 1 0.74155621 0.74155621 0.74329744 1.0
Dy Dy5 1 0.25844379 0.25844379 0.25670256 1.0
Dy Dy6 1 0.33333300 0.66666700 0.50000000 1.0
Dy Dy7 1 0.66666700 0.33333300 0.50000000 1.0
Dy Dy8 1 0.66666700 0.33333300 0.00000000 1.0
Dy Dy9 1 0.33333300 0.66666700 0.00000000 1.0
Sn Sn10 1 0.60918027 0.00000000 0.75077413 1.0
Sn Sn11 1 0.39081973 0.00000000 0.24922587 1.0
Sn Sn12 1 0.00000000 0.60918027 0.75077413 1.0
Sn Sn13 1 1.00000000 0.39081973 0.24922587 1.0
Sn Sn14 1 0.39081973 0.39081973 0.75077413 1.0
Sn Sn15 1 0.60918027 0.60918027 0.24922587 1.0
Au Au16 1 0.00000000 0.00000000 0.00000000 1.0
Se Se17 1 0.00000000 0.00000000 0.50000000 1.0
