Basic Information
Formula
HoCu4Ag
MP-ID
mp-1024987
Elements
3
Sites
6
Density
9.9660
g/cm³
Volume
87.81
ų
Cell a
4.9890
Å
Cell b
4.9890
Å
Cell c
4.9890
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.82 | 4.0735 | 5.2 | (1,1,1) |
| 21.82 | 4.0735 | 10.3 | (1,0,0) |
| 21.82 | 4.0735 | 5.2 | (0,0,1) |
| 25.25 | 3.5278 | 7.4 | (1,1,0) |
| 36.00 | 2.4945 | 54.0 | (2,1,1) |
| 36.00 | 2.4945 | 27.0 | (1,1,2) |
| 36.00 | 2.4945 | 27.0 | (1,-1,0) |
| 36.00 | 2.4945 | 54.0 | (1,0,-1) |
| 42.49 | 2.1273 | 25.0 | (2,2,1) |
| 42.49 | 2.1273 | 50.0 | (2,1,2) |
| 42.49 | 2.1273 | 50.0 | (2,0,1) |
| 42.49 | 2.1273 | 50.0 | (2,1,0) |
| 42.49 | 2.1273 | 100.0 | (1,-1,1) |
| 42.49 | 2.1273 | 25.0 | (1,1,-1) |
| 44.48 | 2.0368 | 15.3 | (2,2,2) |
| 44.48 | 2.0368 | 30.7 | (2,0,0) |
| 44.48 | 2.0368 | 15.3 | (0,0,2) |
| 56.88 | 1.6187 | 1.0 | (3,2,2) |
| 56.88 | 1.6187 | 1.0 | (3,1,1) |
| 56.88 | 1.6186 | 1.5 | (2,-1,0) |
| 56.88 | 1.6186 | 1.0 | (2,0,-1) |
| 56.88 | 1.6186 | 1.0 | (1,0,-2) |
| 64.73 | 1.4402 | 4.7 | (3,3,2) |
| 64.73 | 1.4402 | 9.5 | (3,2,3) |
Energy Properties
Formation Energy/atom
-0.23708
eV/atom
Energy/atom
-4.20998
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.5097
eV/atom
Volume/atom
14.63
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
KVRH
104.289
GPa
GVRH
14.049
GPa
Young's Modulus E
40.336
GPa
Poisson Ratio ν
0.436
Pugh Ratio K/G
7.423
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.971
Lame λ
94.923
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.667
Element Family
3d-TM
Solute Fraction
0.333
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8676
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2129
J/mol·K
Ω Parameter
11.3617
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.518%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2522
smaller = more stable mixing
VEC
11.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.889
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7897
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1024987
Reference Citation
The crystal structure and related material properties of HoCu4Ag were obtained from the Materials Project database (MP-ID: mp-1024987, 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_HoCu4Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98900318
_cell_length_b 4.98900318
_cell_length_c 4.98900030
_cell_angle_alpha 59.99990464
_cell_angle_beta 59.99990464
_cell_angle_gamma 59.99992367
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoCu4Ag
_chemical_formula_sum 'Ho1 Cu4 Ag1'
_cell_volume 87.80620693
_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 0.75000000 0.75000000 0.75000000 1.0
Cu Cu1 1 0.37396169 0.37396169 0.37396169 1.0
Cu Cu2 1 0.87811294 0.37396269 0.37396269 1.0
Cu Cu3 1 0.37396269 0.87811294 0.37396269 1.0
Cu Cu4 1 0.37396269 0.37396269 0.87811294 1.0
Ag Ag5 1 -0.00000000 -0.00000000 -0.00000000 1.0
