Ho6Al24Os5Rh3
High-Entropy Materials HEAMP-ID: mp-3292447 · Space group: P-1 (#2)
Basic Information
Formula
Ho6Al24Os5Rh3
MP-ID
mp-3292447
Elements
4
Sites
38
Density
7.6371
g/cm³
Volume
629.90
ų
Cell a
8.7874
Å
Cell b
8.7578
Å
Cell c
9.4778
Å
α Angle
89.99
°
β Angle
89.77
°
γ Angle
120.28
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
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 | 9.4777 | 3.3 | (0,0,1) |
| 11.63 | 7.6077 | 15.4 | (1,-1,0) |
| 11.66 | 7.5888 | 1.1 | (1,0,0) |
| 11.70 | 7.5633 | 3.6 | (0,1,0) |
| 14.92 | 5.9391 | 20.1 | (1,-1,1) |
| 14.92 | 5.9376 | 21.2 | (1,0,1) |
| 14.95 | 5.9266 | 6.0 | (1,-1,-1) |
| 14.97 | 5.9191 | 22.0 | (0,1,1) |
| 14.99 | 5.9101 | 6.3 | (1,0,-1) |
| 15.01 | 5.9042 | 7.0 | (0,1,-1) |
| 18.73 | 4.7388 | 12.5 | (0,0,2) |
| 20.21 | 4.3936 | 6.0 | (2,-1,0) |
| 22.08 | 4.0262 | 3.3 | (1,-1,2) |
| 22.12 | 4.0184 | 3.5 | (1,-1,-2) |
| 23.39 | 3.8039 | 31.5 | (2,-2,0) |
| 23.45 | 3.7944 | 30.8 | (2,0,0) |
| 23.53 | 3.7816 | 29.2 | (0,2,0) |
| 25.21 | 3.5328 | 16.5 | (2,-2,1) |
| 25.24 | 3.5284 | 24.4 | (2,0,1) |
| 25.25 | 3.5275 | 26.0 | (2,-2,-1) |
| 25.33 | 3.5168 | 15.0 | (2,0,-1) |
| 25.33 | 3.5155 | 13.5 | (0,2,1) |
| 25.38 | 3.5092 | 22.2 | (0,2,-1) |
| 27.72 | 3.2185 | 7.8 | (1,1,2) |
Energy Properties
Formation Energy/atom
-0.76814
eV/atom
Energy/atom
-19.08902
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.0890
eV/atom
Volume/atom
16.58
ų
c/a Ratio
1.0786
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.0418
μB
Mag. Ordering
FM
Mag. Sites
6
Magnetization/Volume
0.001650
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
1.0490
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7213
J/mol·K
Ω Parameter
2.7660
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.799%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3148
smaller = more stable mixing
VEC
5.395
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.651
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7567
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292447
Reference Citation
The crystal structure and related material properties of Ho6Al24Os5Rh3 were obtained from the Materials Project database (MP-ID: mp-3292447, 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_Ho6Al24Os5Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.78735108
_cell_length_b 8.75776076
_cell_length_c 9.47775413
_cell_angle_alpha 89.98719912
_cell_angle_beta 89.77171796
_cell_angle_gamma 120.27558864
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho6Al24Os5Rh3
_chemical_formula_sum 'Ho6 Al24 Os5 Rh3'
_cell_volume 629.89690587
_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 0.19680515 0.38784573 0.25181348 1.0
Ho Ho1 1 0.80319485 0.61215427 0.74818652 1.0
Ho Ho2 1 0.61374577 0.80063503 0.25040821 1.0
Ho Ho3 1 0.38625423 0.19936497 0.74959179 1.0
Ho Ho4 1 0.18814976 0.80480432 0.25188268 1.0
Ho Ho5 1 0.81185024 0.19519568 0.74811732 1.0
Al Al6 1 0.33367399 0.66674057 0.01825082 1.0
Al Al7 1 0.66632601 0.33325943 0.98174918 1.0
Al Al8 1 0.66719699 0.33392826 0.51711737 1.0
Al Al9 1 0.33280301 0.66607174 0.48288263 1.0
Al Al10 1 0.16362694 0.32827185 0.57655161 1.0
Al Al11 1 0.83637306 0.67172815 0.42344839 1.0
Al Al12 1 0.67335368 0.83620664 0.57674583 1.0
Al Al13 1 0.83493723 0.67234977 0.07667557 1.0
Al Al14 1 0.32664632 0.16379336 0.42325417 1.0
Al Al15 1 0.16506277 0.32765023 0.92332443 1.0
Al Al16 1 0.16173452 0.83608137 0.57790889 1.0
Al Al17 1 0.32637060 0.16373926 0.07717743 1.0
Al Al18 1 0.83826548 0.16391863 0.42209111 1.0
Al Al19 1 0.67362940 0.83626074 0.92282257 1.0
Al Al20 1 0.83668280 0.16204559 0.07803355 1.0
Al Al21 1 0.16331720 0.83795441 0.92196645 1.0
Al Al22 1 0.56033041 0.11974577 0.24957065 1.0
Al Al23 1 0.43966959 0.88025423 0.75042935 1.0
Al Al24 1 0.87663008 0.43709133 0.24984464 1.0
Al Al25 1 0.12336992 0.56290867 0.75015536 1.0
Al Al26 1 0.56223823 0.43610239 0.24949951 1.0
Al Al27 1 0.43776177 0.56389761 0.75050049 1.0
Al Al28 1 0.99919724 0.99902779 0.25008395 1.0
Al Al29 1 0.00080276 0.00097221 0.74991605 1.0
Os Os30 1 0.50000000 0.50000000 0.00000000 1.0
Os Os31 1 0.00000000 0.50000000 0.50000000 1.0
Os Os32 1 0.50000000 0.50000000 0.50000000 1.0
Os Os33 1 0.00000000 0.00000000 0.00000000 1.0
Os Os34 1 0.00000000 0.00000000 0.50000000 1.0
Rh Rh35 1 0.50000000 0.00000000 0.00000000 1.0
Rh Rh36 1 0.00000000 0.50000000 0.00000000 1.0
Rh Rh37 1 0.50000000 0.00000000 0.50000000 1.0
