Y6Al15Si9Ru8
High-Entropy Materials HEAMP-ID: mp-3294424 · Space group: Amm2 (#38)
Basic Information
Formula
Y6Al15Si9Ru8
MP-ID
mp-3294424
Elements
4
Sites
38
Density
5.5224
g/cm³
Volume
601.23
ų
Cell a
8.6243
Å
Cell b
8.6304
Å
Cell c
9.3251
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.98
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
Packing Fraction
-
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 |
|---|---|---|---|
| 15.19 | 5.8329 | 5.5 | (0,1,-1,1) |
| 15.20 | 5.8304 | 10.4 | (1,0,-1,1) |
| 19.03 | 4.6626 | 14.3 | (0,0,0,2) |
| 23.80 | 3.7380 | 17.7 | (0,2,-2,0) |
| 23.82 | 3.7353 | 35.7 | (2,0,-2,0) |
| 25.68 | 3.4696 | 9.7 | (0,2,-2,1) |
| 25.69 | 3.4675 | 10.1 | (2,-2,0,1) |
| 25.69 | 3.4675 | 10.1 | (2,0,-2,1) |
| 28.18 | 3.1670 | 2.4 | (1,1,-2,2) |
| 28.19 | 3.1658 | 1.3 | (2,-1,-1,2) |
| 30.66 | 2.9164 | 49.7 | (0,2,-2,2) |
| 30.67 | 2.9152 | 100.0 | (2,0,-2,2) |
| 31.16 | 2.8702 | 1.9 | (0,1,-1,3) |
| 31.17 | 2.8699 | 3.7 | (1,0,-1,3) |
| 31.67 | 2.8253 | 2.8 | (1,-3,2,0) |
| 31.67 | 2.8253 | 2.8 | (1,2,-3,0) |
| 31.68 | 2.8245 | 2.8 | (2,-3,1,0) |
| 31.68 | 2.8245 | 2.8 | (2,1,-3,0) |
| 31.70 | 2.8231 | 2.6 | (3,-2,-1,0) |
| 31.70 | 2.8231 | 2.6 | (3,-1,-2,0) |
| 33.13 | 2.7040 | 1.2 | (1,2,-3,1) |
| 33.16 | 2.7020 | 1.3 | (3,-1,-2,1) |
| 36.04 | 2.4920 | 1.5 | (0,3,-3,0) |
| 36.07 | 2.4902 | 1.4 | (3,-3,0,0) |
Energy Properties
Formation Energy/atom
-0.77102
eV/atom
Energy/atom
-14.06637
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.0664
eV/atom
Volume/atom
15.82
ų
c/a Ratio
1.0813
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0014
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.395
Element Family
PostTransition-Noble
Solute Fraction
0.605
Interstitial Fraction
0.237
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3275
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0371
J/mol·K
Ω Parameter
0.6162
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.999%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3162
smaller = more stable mixing
VEC
4.289
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-28.674
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9576
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294424
Reference Citation
The crystal structure and related material properties of Y6Al15Si9Ru8 were obtained from the Materials Project database (MP-ID: mp-3294424, 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
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Raw CIF Data
# generated using pymatgen
data_Y6Al15Si9Ru8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.62432830
_cell_length_b 8.63039722
_cell_length_c 9.32513305
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.97674848
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y6Al15Si9Ru8
_chemical_formula_sum 'Y6 Al15 Si9 Ru8'
_cell_volume 601.23387296
_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
Y Y0 1 0.80810375 0.19347045 0.75000000 1.0
Y Y1 1 0.18993081 0.80598450 0.25000000 1.0
Y Y2 1 0.38536771 0.19347045 0.75000000 1.0
Y Y3 1 0.61605269 0.80598450 0.25000000 1.0
Y Y4 1 0.80665950 0.61331801 0.75000000 1.0
Y Y5 1 0.19280972 0.38562043 0.25000000 1.0
Al Al6 1 0.83433550 0.16402142 0.42169711 1.0
Al Al7 1 0.16453025 0.83480860 0.58017492 1.0
Al Al8 1 0.32968592 0.16402142 0.42169711 1.0
Al Al9 1 0.16453025 0.83480860 0.91982508 1.0
Al Al10 1 0.67027836 0.83480860 0.58017492 1.0
Al Al11 1 0.83433550 0.16402142 0.07830289 1.0
Al Al12 1 0.83522862 0.67045624 0.42174466 1.0
Al Al13 1 0.67027836 0.83480860 0.91982508 1.0
Al Al14 1 0.16516756 0.33033512 0.57906859 1.0
Al Al15 1 0.32968592 0.16402142 0.07830289 1.0
Al Al16 1 0.16516756 0.33033512 0.92093141 1.0
Al Al17 1 0.83522862 0.67045624 0.07825534 1.0
Al Al18 1 0.56444895 0.12889690 0.25000000 1.0
Al Al19 1 0.99947244 0.99894388 0.75000000 1.0
Al Al20 1 0.00031546 0.00063191 0.25000000 1.0
Si Si21 1 0.66546207 0.33092314 0.96099167 1.0
Si Si22 1 0.33420888 0.66841775 0.04056341 1.0
Si Si23 1 0.33420888 0.66841775 0.45943659 1.0
Si Si24 1 0.66546207 0.33092314 0.53900833 1.0
Si Si25 1 0.43748690 0.56298569 0.75000000 1.0
Si Si26 1 0.56509708 0.43931493 0.25000000 1.0
Si Si27 1 0.12549979 0.56298569 0.75000000 1.0
Si Si28 1 0.87421786 0.43931493 0.25000000 1.0
Si Si29 1 0.43689760 0.87379620 0.75000000 1.0
Ru Ru30 1 0.49982896 0.50087467 0.99920594 1.0
Ru Ru31 1 0.00104571 0.50087467 0.99920594 1.0
Ru Ru32 1 0.49982896 0.50087467 0.50079406 1.0
Ru Ru33 1 0.49892870 0.99785840 0.99322147 1.0
Ru Ru34 1 0.00104571 0.50087467 0.50079406 1.0
Ru Ru35 1 0.49892870 0.99785840 0.50677853 1.0
Ru Ru36 1 0.00011987 0.00023873 0.00006492 1.0
Ru Ru37 1 0.00011987 0.00023873 0.49993508 1.0
