Ho6Al24GaRu7
High-Entropy Materials HEAMP-ID: mp-3292423 · Space group: C2/m (#12)
Basic Information
Formula
Ho6Al24GaRu7
MP-ID
mp-3292423
Elements
4
Sites
38
Density
6.3404
g/cm³
Volume
632.32
ų
Cell a
8.7751
Å
Cell b
8.7751
Å
Cell c
9.4603
Å
α Angle
90.08
°
β Angle
89.92
°
γ Angle
119.77
°
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 |
|---|---|---|---|
| 11.66 | 7.5907 | 1.1 | (1,-1,0,0) |
| 14.93 | 5.9352 | 9.7 | (0,1,-1,-1) |
| 14.93 | 5.9352 | 9.7 | (1,0,-1,1) |
| 14.94 | 5.9306 | 31.9 | (1,0,-1,-1) |
| 14.95 | 5.9251 | 10.2 | (1,-1,0,1) |
| 14.98 | 5.9159 | 16.0 | (1,-1,0,-1) |
| 20.17 | 4.4027 | 3.8 | (1,1,-2,0) |
| 20.24 | 4.3875 | 3.4 | (2,-1,-1,0) |
| 23.36 | 3.8085 | 8.6 | (2,0,-2,0) |
| 23.44 | 3.7953 | 4.9 | (2,-2,0,0) |
| 25.20 | 3.5339 | 41.0 | (2,0,-2,1) |
| 25.22 | 3.5319 | 34.9 | (2,0,-2,-1) |
| 25.27 | 3.5244 | 16.8 | (2,-2,0,1) |
| 25.30 | 3.5205 | 22.6 | (2,-2,0,-1) |
| 27.68 | 3.2227 | 3.2 | (1,1,-2,2) |
| 27.71 | 3.2190 | 3.9 | (2,-1,-1,2) |
| 27.75 | 3.2146 | 3.1 | (1,-2,1,-2) |
| 27.75 | 3.2146 | 3.1 | (2,-1,-1,-2) |
| 30.11 | 2.9676 | 60.3 | (2,0,-2,2) |
| 30.14 | 2.9653 | 60.3 | (2,0,-2,-2) |
| 30.17 | 2.9625 | 28.6 | (2,-2,0,2) |
| 30.21 | 2.9579 | 27.7 | (2,-2,0,-2) |
| 30.68 | 2.9144 | 10.2 | (1,0,-1,3) |
| 30.68 | 2.9138 | 6.3 | (1,-1,0,3) |
Energy Properties
Formation Energy/atom
-0.70343
eV/atom
Energy/atom
-15.13166
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.1317
eV/atom
Volume/atom
16.64
ų
c/a Ratio
1.0781
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0352
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000060
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
2.5904
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.871%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2917
smaller = more stable mixing
VEC
5.184
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.290
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-3292423
Reference Citation
The crystal structure and related material properties of Ho6Al24GaRu7 were obtained from the Materials Project database (MP-ID: mp-3292423, 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_Ho6Al24GaRu7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.77506969
_cell_length_b 8.77507026
_cell_length_c 9.46032247
_cell_angle_alpha 90.07866119
_cell_angle_beta 89.92133944
_cell_angle_gamma 119.77113144
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho6Al24GaRu7
_chemical_formula_sum 'Ho6 Al24 Ga1 Ru7'
_cell_volume 632.31600150
_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 0.19301476 0.38446612 0.24605189 1.0
Ho Ho1 1 0.80698524 0.61553388 0.75394811 1.0
Ho Ho2 1 0.61553388 0.80698524 0.24605189 1.0
Ho Ho3 1 0.38446612 0.19301476 0.75394811 1.0
Ho Ho4 1 0.19471744 0.80528256 0.25549237 1.0
Ho Ho5 1 0.80528256 0.19471744 0.74450763 1.0
Al Al6 1 0.32679450 0.67320550 0.01785416 1.0
Al Al7 1 0.67320550 0.32679450 0.98214584 1.0
Al Al8 1 0.66657604 0.33342396 0.51773724 1.0
Al Al9 1 0.33342396 0.66657604 0.48226276 1.0
Al Al10 1 0.16255702 0.32543750 0.57385362 1.0
Al Al11 1 0.83744298 0.67456250 0.42614638 1.0
Al Al12 1 0.67456250 0.83744298 0.57385362 1.0
Al Al13 1 0.85238242 0.67807680 0.08207534 1.0
Al Al14 1 0.32543750 0.16255702 0.42614638 1.0
Al Al15 1 0.14761758 0.32192320 0.91792466 1.0
Al Al16 1 0.16298516 0.83701484 0.57945286 1.0
Al Al17 1 0.32192320 0.14761758 0.08207534 1.0
Al Al18 1 0.83701484 0.16298516 0.42054714 1.0
Al Al19 1 0.67807680 0.85238242 0.91792466 1.0
Al Al20 1 0.83748014 0.16251986 0.07948344 1.0
Al Al21 1 0.16251986 0.83748014 0.92051656 1.0
Al Al22 1 0.56193897 0.12003160 0.24938484 1.0
Al Al23 1 0.43806103 0.87996840 0.75061516 1.0
Al Al24 1 0.87996840 0.43806103 0.24938484 1.0
Al Al25 1 0.12003160 0.56193897 0.75061516 1.0
Al Al26 1 0.56567600 0.43432400 0.25858088 1.0
Al Al27 1 0.43432400 0.56567600 0.74141912 1.0
Al Al28 1 0.99887269 0.00112731 0.25068128 1.0
Al Al29 1 0.00112731 0.99887269 0.74931872 1.0
Ga Ga30 1 0.50000000 0.50000000 0.00000000 1.0
Ru Ru31 1 0.50000000 0.00000000 0.00000000 1.0
Ru Ru32 1 0.00000000 0.50000000 0.00000000 1.0
Ru Ru33 1 0.50000000 0.00000000 0.50000000 1.0
Ru Ru34 1 0.00000000 0.50000000 0.50000000 1.0
Ru Ru35 1 0.50000000 0.50000000 0.50000000 1.0
Ru Ru36 1 0.00000000 0.00000000 0.00000000 1.0
Ru Ru37 1 0.00000000 0.00000000 0.50000000 1.0
