Ho6Al24Ru7Rh
High-Entropy Materials HEAMP-ID: mp-3293298 · Space group: C2/m (#12)
Basic Information
Formula
Ho6Al24Ru7Rh
MP-ID
mp-3293298
Elements
4
Sites
38
Density
6.4688
g/cm³
Volume
628.29
ų
Cell a
8.7486
Å
Cell b
8.7572
Å
Cell c
9.4726
Å
α Angle
90.00
°
β Angle
89.86
°
γ Angle
120.03
°
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 |
|---|---|---|---|
| 14.96 | 5.9236 | 12.6 | (1,0,-1,1) |
| 14.96 | 5.9231 | 24.3 | (1,-1,0,1) |
| 14.98 | 5.9151 | 24.5 | (1,-1,0,-1) |
| 15.00 | 5.9075 | 12.5 | (1,0,-1,-1) |
| 20.28 | 4.3786 | 2.6 | (1,-2,1,0) |
| 20.30 | 4.3743 | 5.0 | (2,-1,-1,0) |
| 23.47 | 3.7907 | 11.3 | (2,-2,0,0) |
| 23.49 | 3.7870 | 5.5 | (2,0,-2,0) |
| 25.29 | 3.5211 | 38.8 | (2,-2,0,1) |
| 25.30 | 3.5198 | 18.0 | (2,0,-2,1) |
| 25.32 | 3.5177 | 18.8 | (2,-2,0,-1) |
| 25.32 | 3.5177 | 18.8 | (0,2,-2,-1) |
| 25.35 | 3.5130 | 18.6 | (2,0,-2,-1) |
| 27.73 | 3.2173 | 3.7 | (2,-1,-1,2) |
| 27.75 | 3.2152 | 4.1 | (1,-2,1,2) |
| 27.80 | 3.2096 | 1.8 | (2,-1,-1,-2) |
| 27.80 | 3.2096 | 1.8 | (1,1,-2,-2) |
| 30.17 | 2.9618 | 31.1 | (2,0,-2,2) |
| 30.18 | 2.9616 | 59.6 | (2,-2,0,2) |
| 30.22 | 2.9575 | 30.8 | (2,-2,0,-2) |
| 30.22 | 2.9575 | 30.8 | (0,2,-2,-2) |
| 30.26 | 2.9537 | 30.1 | (2,0,-2,-2) |
| 30.65 | 2.9173 | 4.7 | (1,0,-1,3) |
| 30.66 | 2.9163 | 9.1 | (1,-1,0,3) |
Energy Properties
Formation Energy/atom
-0.75197
eV/atom
Energy/atom
-15.51424
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.5142
eV/atom
Volume/atom
16.53
ų
c/a Ratio
1.0828
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.2584
μB
Mag. Ordering
FM
Mag. Sites
7
Magnetization/Volume
0.002000
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
2.2915
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.888%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3071
smaller = more stable mixing
VEC
5.342
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-5.033
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-3293298
Reference Citation
The crystal structure and related material properties of Ho6Al24Ru7Rh were obtained from the Materials Project database (MP-ID: mp-3293298, 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_Ho6Al24Ru7Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.74855331
_cell_length_b 8.75718643
_cell_length_c 9.47262478
_cell_angle_alpha 90.00000063
_cell_angle_beta 89.86137030
_cell_angle_gamma 120.03265490
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho6Al24Ru7Rh
_chemical_formula_sum 'Ho6 Al24 Ru7 Rh1'
_cell_volume 628.28560333
_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 0.80506070 0.19177930 0.74889230 1.0
Ho Ho1 1 0.19493930 0.80822070 0.25110770 1.0
Ho Ho2 1 0.38821483 0.19410641 0.74959087 1.0
Ho Ho3 1 0.61178517 0.80589359 0.25040913 1.0
Ho Ho4 1 0.80506070 0.61328240 0.74889230 1.0
Ho Ho5 1 0.19493930 0.38671760 0.25110770 1.0
Al Al6 1 0.66534127 0.33267013 0.99024318 1.0
Al Al7 1 0.33465873 0.66732987 0.00975682 1.0
Al Al8 1 0.33317366 0.66658683 0.49062479 1.0
Al Al9 1 0.66682634 0.33341317 0.50937521 1.0
Al Al10 1 0.83809415 0.16257144 0.42264298 1.0
Al Al11 1 0.16190585 0.83742856 0.57735702 1.0
Al Al12 1 0.32514643 0.16257271 0.42319611 1.0
Al Al13 1 0.16328808 0.83911626 0.92285569 1.0
Al Al14 1 0.67485357 0.83742729 0.57680389 1.0
Al Al15 1 0.83671192 0.16088374 0.07714431 1.0
Al Al16 1 0.83809415 0.67552271 0.42264298 1.0
Al Al17 1 0.67526123 0.83763012 0.92307807 1.0
Al Al18 1 0.16190585 0.32447729 0.57735702 1.0
Al Al19 1 0.32473877 0.16236988 0.07692193 1.0
Al Al20 1 0.16328808 0.32417282 0.92285569 1.0
Al Al21 1 0.83671192 0.67582718 0.07714431 1.0
Al Al22 1 0.43820067 0.56074629 0.75041785 1.0
Al Al23 1 0.56179933 0.43925371 0.24958215 1.0
Al Al24 1 0.12163066 0.56081633 0.74952812 1.0
Al Al25 1 0.87836934 0.43918367 0.25047188 1.0
Al Al26 1 0.43820067 0.87745538 0.75041785 1.0
Al Al27 1 0.56179933 0.12254462 0.24958215 1.0
Al Al28 1 0.99996650 0.99998325 0.74993195 1.0
Al Al29 1 0.00003350 0.00001675 0.25006805 1.0
Ru Ru30 1 0.50000000 0.50000000 0.00000000 1.0
Ru Ru31 1 0.50000000 0.50000000 0.50000000 1.0
Ru Ru32 1 0.50000000 0.00000000 0.00000000 1.0
Ru Ru33 1 0.00000000 0.50000000 0.50000000 1.0
Ru Ru34 1 0.50000000 0.00000000 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
Rh Rh37 1 0.00000000 0.50000000 0.00000000 1.0
