HoCu2AgPt2
High-Entropy Materials HEAMP-ID: mp-3250022 · Space group: Imm2 (#44)
Basic Information
Formula
HoCu2AgPt2
MP-ID
mp-3250022
Elements
4
Sites
6
Density
13.5256
g/cm³
Volume
97.00
ų
Cell a
5.1361
Å
Cell b
5.1361
Å
Cell c
5.4491
Å
α Angle
57.96
°
β Angle
57.96
°
γ Angle
58.10
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oI
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 |
|---|---|---|---|
| 20.51 | 4.3312 | 1.4 | (0,0,1) |
| 20.51 | 4.3312 | 1.4 | (1,1,1) |
| 21.74 | 4.0884 | 12.7 | (1,0,0) |
| 21.74 | 4.0884 | 12.7 | (0,1,0) |
| 24.19 | 3.6791 | 1.3 | (1,0,1) |
| 24.95 | 3.5689 | 15.7 | (1,1,0) |
| 35.03 | 2.5617 | 31.8 | (1,0,-1) |
| 36.01 | 2.4938 | 26.3 | (1,-1,0) |
| 39.76 | 2.2672 | 100.0 | (1,0,2) |
| 41.41 | 2.1805 | 15.0 | (1,1,-1) |
| 41.71 | 2.1656 | 17.7 | (0,0,2) |
| 41.71 | 2.1656 | 17.7 | (2,2,2) |
| 41.80 | 2.1612 | 21.3 | (1,-1,1) |
| 41.80 | 2.1612 | 7.1 | (0,2,1) |
| 42.08 | 2.1475 | 41.6 | (2,1,0) |
| 44.31 | 2.0442 | 15.1 | (2,0,0) |
| 44.31 | 2.0442 | 15.1 | (0,2,0) |
| 49.55 | 1.8396 | 4.8 | (2,0,2) |
| 51.19 | 1.7845 | 2.5 | (2,2,0) |
| 54.40 | 1.6866 | 1.2 | (1,0,-2) |
| 54.40 | 1.6866 | 3.5 | (0,1,-2) |
| 56.26 | 1.6351 | 3.5 | (1,-1,-2) |
| 56.26 | 1.6351 | 3.5 | (1,-1,2) |
| 56.86 | 1.6192 | 2.1 | (2,-1,0) |
Energy Properties
Formation Energy/atom
-0.66802
eV/atom
Energy/atom
-30.48573
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.4857
eV/atom
Volume/atom
16.17
ų
c/a Ratio
1.0609
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
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
Cu · 0.333
Element Family
3d-TM
Solute Fraction
0.667
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3297
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0548
J/mol·K
Ω Parameter
1.3725
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.132%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3503
smaller = more stable mixing
VEC
10.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-13.111
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9591
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3250022
Reference Citation
The crystal structure and related material properties of HoCu2AgPt2 were obtained from the Materials Project database (MP-ID: mp-3250022, 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_HoCu2AgPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13609284
_cell_length_b 5.13609222
_cell_length_c 5.44906119
_cell_angle_alpha 57.96295114
_cell_angle_beta 57.96295546
_cell_angle_gamma 58.09619539
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoCu2AgPt2
_chemical_formula_sum 'Ho1 Cu2 Ag1 Pt2'
_cell_volume 96.99570018
_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 0.25466841 0.25466841 0.24533159 1.0
Cu Cu1 1 0.61910398 0.12056920 0.63016441 1.0
Cu Cu2 1 0.12056920 0.61910398 0.63016441 1.0
Ag Ag3 1 0.00930792 0.00930792 0.99069208 1.0
Pt Pt4 1 0.62317574 0.62317574 0.62695537 1.0
Pt Pt5 1 0.62317574 0.62317574 0.12669414 1.0
