Ho6Al24Ru7Au
High-Entropy Materials HEAMP-ID: mp-3293265 · Space group: C2/m (#12)
Basic Information
Formula
Ho6Al24Ru7Au
MP-ID
mp-3293265
Elements
4
Sites
38
Density
6.6722
g/cm³
Volume
632.54
ų
Cell a
8.7751
Å
Cell b
8.7751
Å
Cell c
9.4743
Å
α Angle
89.95
°
β Angle
90.05
°
γ Angle
119.88
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 9.33 | 9.4743 | 3.2 | (0,0,0,1) |
| 11.63 | 7.6083 | 5.9 | (1,0,-1,0) |
| 11.65 | 7.5950 | 1.2 | (1,-1,0,0) |
| 14.93 | 5.9338 | 15.1 | (1,0,-1,-1) |
| 14.94 | 5.9308 | 53.5 | (1,0,-1,1) |
| 14.94 | 5.9290 | 8.0 | (1,-1,0,-1) |
| 14.96 | 5.9230 | 27.5 | (1,-1,0,1) |
| 20.24 | 4.3875 | 7.6 | (1,-2,1,0) |
| 20.24 | 4.3875 | 7.6 | (2,-1,-1,0) |
| 22.10 | 4.0223 | 1.7 | (1,0,-1,-2) |
| 22.11 | 4.0204 | 1.0 | (1,0,-1,2) |
| 22.30 | 3.9871 | 1.2 | (1,1,-2,1) |
| 22.32 | 3.9827 | 1.6 | (2,-1,-1,-1) |
| 23.38 | 3.8042 | 23.9 | (2,0,-2,0) |
| 23.43 | 3.7975 | 12.0 | (2,-2,0,0) |
| 25.22 | 3.5308 | 67.2 | (2,0,-2,-1) |
| 25.23 | 3.5296 | 35.6 | (2,0,-2,1) |
| 25.26 | 3.5262 | 17.8 | (2,-2,0,-1) |
| 25.28 | 3.5236 | 31.9 | (2,-2,0,1) |
| 27.69 | 3.2220 | 11.0 | (1,1,-2,2) |
| 27.70 | 3.2204 | 2.1 | (2,-1,-1,-2) |
| 27.73 | 3.2175 | 1.4 | (2,-1,-1,2) |
| 30.12 | 2.9669 | 93.1 | (2,0,-2,-2) |
| 30.14 | 2.9654 | 100.0 | (2,0,-2,2) |
Energy Properties
Formation Energy/atom
-0.72852
eV/atom
Energy/atom
-16.18681
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.1868
eV/atom
Volume/atom
16.65
ų
c/a Ratio
1.0797
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.0928
μB
Mag. Ordering
FM
Mag. Sites
9
Magnetization/Volume
0.001730
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.632
Element Family
PostTransition-Noble
Solute Fraction
0.368
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9890
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2228
J/mol·K
Ω Parameter
1.7359
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.771%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3230
smaller = more stable mixing
VEC
5.395
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.531
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7134
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293265
Reference Citation
The crystal structure and related material properties of Ho6Al24Ru7Au were obtained from the Materials Project database (MP-ID: mp-3293265, 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_Ho6Al24Ru7Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.77509398
_cell_length_b 8.77509447
_cell_length_c 9.47431233
_cell_angle_alpha 89.94860465
_cell_angle_beta 90.05139309
_cell_angle_gamma 119.88428128
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho6Al24Ru7Au
_chemical_formula_sum 'Ho6 Al24 Ru7 Au1'
_cell_volume 632.53841406
_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
Ho Ho0 1 0.19050976 0.38397892 0.25043208 1.0
Ho Ho1 1 0.80949024 0.61602108 0.74956792 1.0
Ho Ho2 1 0.61602108 0.80949024 0.25043208 1.0
Ho Ho3 1 0.38397892 0.19050976 0.74956792 1.0
Ho Ho4 1 0.19388152 0.80611848 0.25357926 1.0
Ho Ho5 1 0.80611848 0.19388152 0.74642074 1.0
Al Al6 1 0.32805935 0.67194065 0.01627995 1.0
Al Al7 1 0.67194065 0.32805935 0.98372005 1.0
Al Al8 1 0.66661659 0.33338341 0.51521132 1.0
Al Al9 1 0.33338341 0.66661659 0.48478868 1.0
Al Al10 1 0.16259623 0.32512835 0.57658115 1.0
Al Al11 1 0.83740377 0.67487165 0.42341885 1.0
Al Al12 1 0.67487165 0.83740377 0.57658115 1.0
Al Al13 1 0.84800883 0.67749512 0.08001451 1.0
Al Al14 1 0.32512835 0.16259623 0.42341885 1.0
Al Al15 1 0.15199117 0.32250488 0.91998549 1.0
Al Al16 1 0.16305575 0.83694425 0.57875406 1.0
Al Al17 1 0.32250488 0.15199117 0.08001451 1.0
Al Al18 1 0.83694425 0.16305575 0.42124594 1.0
Al Al19 1 0.67749512 0.84800883 0.91998549 1.0
Al Al20 1 0.83754041 0.16245959 0.07903079 1.0
Al Al21 1 0.16245959 0.83754041 0.92096921 1.0
Al Al22 1 0.56104599 0.12136857 0.24929442 1.0
Al Al23 1 0.43895401 0.87863143 0.75070558 1.0
Al Al24 1 0.87863143 0.43895401 0.24929442 1.0
Al Al25 1 0.12136857 0.56104599 0.75070558 1.0
Al Al26 1 0.56369079 0.43630921 0.25608300 1.0
Al Al27 1 0.43630921 0.56369079 0.74391700 1.0
Al Al28 1 0.99960397 0.00039603 0.25038341 1.0
Al Al29 1 0.00039603 0.99960397 0.74961659 1.0
Ru Ru30 1 0.50000000 0.00000000 0.00000000 1.0
Ru Ru31 1 0.00000000 0.50000000 0.00000000 1.0
Ru Ru32 1 0.50000000 0.00000000 0.50000000 1.0
Ru Ru33 1 0.00000000 0.50000000 0.50000000 1.0
Ru Ru34 1 0.50000000 0.50000000 0.50000000 1.0
Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0
Ru Ru36 1 0.00000000 0.00000000 0.50000000 1.0
Au Au37 1 0.50000000 0.50000000 0.00000000 1.0
