UCu4Ag
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1072653 · Space group: F-43m (#216)
Basic Information
Formula
UCu4Ag
MP-ID
mp-1072653
Elements
3
Sites
6
Density
10.8765
g/cm³
Volume
91.62
ų
Cell a
5.0601
Å
Cell b
5.0601
Å
Cell c
5.0601
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
No
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 14)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.51 | 4.1316 | 19.2 | (1,1,1) |
| 24.88 | 3.5781 | 8.7 | (1,1,0) |
| 35.48 | 2.5301 | 61.1 | (2,1,1) |
| 41.87 | 2.1577 | 100.0 | (2,2,1) |
| 43.82 | 2.0658 | 17.4 | (2,2,2) |
| 56.01 | 1.6417 | 5.6 | (3,2,2) |
| 57.60 | 1.6002 | 3.7 | (3,2,1) |
| 63.71 | 1.4607 | 22.5 | (3,3,2) |
| 68.08 | 1.3772 | 31.0 | (3,3,3) |
| 75.09 | 1.2650 | 21.6 | (4,2,2) |
| 79.19 | 1.2096 | 4.6 | (4,3,2) |
| 80.54 | 1.1927 | 2.2 | (4,3,3) |
| 85.90 | 1.1315 | 10.4 | (4,3,1) |
| 89.89 | 1.0913 | 11.6 | (4,4,3) |
Energy Properties
Formation Energy/atom
0.08238
eV/atom
Energy/atom
-24.03181
eV/atom
Energy above Hull
0.0824
eV/atom
Uncorrected Energy
-5.0044
eV/atom
Volume/atom
15.27
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
1.6480
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.017990
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.667
Element Family
3d-TM
Solute Fraction
0.333
Interstitial Fraction
0.000
High-Entropy Alloy Features
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
10.9172
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.518%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1963
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
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.696
Family
Cu-based Alloy
Matrix Element
Cu · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1072653
Reference Citation
The crystal structure and related material properties of UCu4Ag were obtained from the Materials Project database (MP-ID: mp-1072653, 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_UCu4Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06013674
_cell_length_b 5.06013674
_cell_length_c 5.06013674
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural UCu4Ag
_chemical_formula_sum 'U1 Cu4 Ag1'
_cell_volume 91.61609149
_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
U U0 1 0.00000000 0.00000000 0.00000000 1.0
Cu Cu1 1 0.62388400 0.62388400 0.12834800 1.0
Cu Cu2 1 0.62388400 0.12834800 0.62388400 1.0
Cu Cu3 1 0.12834800 0.62388400 0.62388400 1.0
Cu Cu4 1 0.62388400 0.62388400 0.62388400 1.0
Ag Ag5 1 0.25000000 0.25000000 0.25000000 1.0
