HoInAu2
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-30388 · Space group: Fm-3m (#225)
Basic Information
Formula
HoInAu2
MP-ID
mp-30388
Elements
3
Sites
4
Density
13.5166
g/cm³
Volume
82.76
ų
Cell a
4.8916
Å
Cell b
4.8916
Å
Cell c
4.8916
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 19)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.26 | 3.9940 | 1.6 | (1,1,1) |
| 25.76 | 3.4589 | 5.3 | (1,1,0) |
| 36.75 | 2.4458 | 100.0 | (2,1,1) |
| 36.75 | 2.4458 | 50.0 | (1,-1,0) |
| 52.94 | 1.7294 | 26.4 | (2,2,0) |
| 59.79 | 1.5469 | 1.2 | (2,3,1) |
| 66.18 | 1.4121 | 13.5 | (3,3,2) |
| 66.18 | 1.4121 | 18.0 | (3,1,0) |
| 66.18 | 1.4121 | 13.5 | (1,0,3) |
| 66.18 | 1.4121 | 9.0 | (1,3,0) |
| 78.16 | 1.2229 | 2.8 | (4,2,2) |
| 78.16 | 1.2229 | 2.8 | (2,2,4) |
| 78.16 | 1.2229 | 5.7 | (2,4,2) |
| 78.16 | 1.2229 | 2.8 | (2,-2,0) |
| 78.16 | 1.2229 | 2.8 | (0,2,-2) |
| 89.63 | 1.0938 | 4.3 | (4,3,1) |
| 89.63 | 1.0938 | 12.8 | (3,4,1) |
| 89.63 | 1.0938 | 6.4 | (3,-1,2) |
| 89.63 | 1.0938 | 2.1 | (2,-1,3) |
Energy Properties
Formation Energy/atom
-0.69693
eV/atom
Energy/atom
-4.17309
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-39.9450
eV/atom
Volume/atom
20.69
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
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
Au · 0.500
Element Family
5d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
1.6868
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.758%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5528
smaller = more stable mixing
VEC
9.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.198
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.634
Family
Au-rich Multi-Component
Matrix Element
Au · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30388
Reference Citation
The crystal structure and related material properties of HoInAu2 were obtained from the Materials Project database (MP-ID: mp-30388, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_HoInAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89159872
_cell_length_b 4.89159774
_cell_length_c 4.89159815
_cell_angle_alpha 59.99998334
_cell_angle_beta 59.99998998
_cell_angle_gamma 59.99998675
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoInAu2
_chemical_formula_sum 'Ho1 In1 Au2'
_cell_volume 82.76318607
_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 0.50000000 0.50000000 0.50000000 1.0
In In1 1 0.00000000 -0.00000000 -0.00000000 1.0
Au Au2 1 0.75000000 0.75000000 0.75000000 1.0
Au Au3 1 0.25000000 0.25000000 0.25000000 1.0
