Ho20AgIr7Os4
High-Entropy Materials HEAMP-ID: mp-3292880 · Space group: C2 (#5)
Basic Information
Formula
Ho20AgIr7Os4
MP-ID
mp-3292880
Elements
4
Sites
32
Density
12.3209
g/cm³
Volume
743.00
ų
Cell a
10.7771
Å
Cell b
10.7771
Å
Cell c
6.3973
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
89.57
°
Space Group
C2
Point Group
2
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 |
|---|---|---|---|
| 8.20 | 10.7768 | 6.9 | (1,0,0) |
| 11.57 | 7.6491 | 11.3 | (1,1,0) |
| 11.66 | 7.5918 | 4.1 | (1,-1,0) |
| 16.11 | 5.5012 | 1.8 | (1,0,-1) |
| 16.11 | 5.5010 | 1.0 | (1,0,1) |
| 16.45 | 5.3884 | 21.4 | (2,0,0) |
| 18.13 | 4.8921 | 1.3 | (1,-1,1) |
| 23.06 | 3.8569 | 20.1 | (2,1,-1) |
| 23.06 | 3.8567 | 17.3 | (2,1,1) |
| 23.15 | 3.8421 | 16.1 | (2,-1,-1) |
| 23.15 | 3.8420 | 14.5 | (2,-1,1) |
| 23.26 | 3.8246 | 4.5 | (2,2,0) |
| 23.44 | 3.7959 | 7.7 | (2,-2,0) |
| 27.89 | 3.1987 | 7.7 | (0,0,2) |
| 29.12 | 3.0665 | 14.9 | (1,0,-2) |
| 29.12 | 3.0664 | 14.7 | (1,0,2) |
| 29.65 | 3.0131 | 41.2 | (3,1,-1) |
| 29.65 | 3.0130 | 34.3 | (3,1,1) |
| 29.76 | 3.0025 | 40.6 | (3,-1,-1) |
| 29.76 | 3.0025 | 38.0 | (3,-1,1) |
| 32.55 | 2.7506 | 24.8 | (2,0,-2) |
| 32.55 | 2.7505 | 25.2 | (2,0,2) |
| 32.98 | 2.7157 | 30.2 | (3,2,-1) |
| 32.98 | 2.7157 | 45.8 | (3,2,1) |
Energy Properties
Formation Energy/atom
-0.71385
eV/atom
Energy/atom
-40.00882
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-40.0088
eV/atom
Volume/atom
23.22
ų
c/a Ratio
0.5936
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0013
μB
Mag. Ordering
NM
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
Ho · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9944
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2678
J/mol·K
Ω Parameter
207.7007
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.698%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4610
smaller = more stable mixing
VEC
10.188
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.085
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7173
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292880
Reference Citation
The crystal structure and related material properties of Ho20AgIr7Os4 were obtained from the Materials Project database (MP-ID: mp-3292880, 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_Ho20AgIr7Os4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.77705189
_cell_length_b 10.77705189
_cell_length_c 6.39733758
_cell_angle_alpha 90.00186510
_cell_angle_beta 90.00186510
_cell_angle_gamma 89.56931601
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho20AgIr7Os4
_chemical_formula_sum 'Ho20 Ag1 Ir7 Os4'
_cell_volume 742.99680468
_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 0.29055169 0.08338805 0.37815788 1.0
Ho Ho1 1 0.29480760 0.91207510 0.87901748 1.0
Ho Ho2 1 0.69972401 0.08123651 0.86261211 1.0
Ho Ho3 1 0.70143700 0.90499343 0.38197125 1.0
Ho Ho4 1 0.58523669 0.79157153 0.88044925 1.0
Ho Ho5 1 0.57304832 0.20642032 0.37947133 1.0
Ho Ho6 1 0.41205622 0.79194218 0.37975533 1.0
Ho Ho7 1 0.41144627 0.20407381 0.88052858 1.0
Ho Ho8 1 0.20842847 0.41476331 0.61955075 1.0
Ho Ho9 1 0.20805782 0.58794378 0.12024467 1.0
Ho Ho10 1 0.79357968 0.42695168 0.12052867 1.0
Ho Ho11 1 0.79592619 0.58855373 0.61947142 1.0
Ho Ho12 1 0.91661195 0.70944831 0.12184212 1.0
Ho Ho13 1 0.91876349 0.30027599 0.63738789 1.0
Ho Ho14 1 0.08792490 0.70519240 0.62098252 1.0
Ho Ho15 1 0.09500657 0.29856300 0.11802875 1.0
Ho Ho16 1 0.00205026 0.99537963 0.50300939 1.0
Ho Ho17 1 0.00462037 0.99794974 0.99699061 1.0
Ho Ho18 1 0.49984403 0.49778462 0.99865020 1.0
Ho Ho19 1 0.50221538 0.50015597 0.50134980 1.0
Ag Ag20 1 0.84140187 0.15859813 0.25000000 1.0
Ir Ir21 1 0.84915546 0.85034564 0.75055827 1.0
Ir Ir22 1 0.14965436 0.15084454 0.74944173 1.0
Ir Ir23 1 0.15247382 0.84752618 0.25000000 1.0
Ir Ir24 1 0.65440197 0.34559803 0.75000000 1.0
Ir Ir25 1 0.65216067 0.65118982 0.24924330 1.0
Ir Ir26 1 0.34881018 0.34783933 0.25075670 1.0
Ir Ir27 1 0.34891774 0.65108226 0.75000000 1.0
Os Os28 1 0.49962262 0.99829182 0.12802031 1.0
Os Os29 1 0.49822256 0.99786436 0.62488683 1.0
Os Os30 1 0.00213564 0.50177744 0.87511317 1.0
Os Os31 1 0.00170818 0.50037738 0.37197969 1.0
