U4Al24Ir5Pt4
High-Entropy Materials HEAMP-ID: mp-3293109 · Space group: P-1 (#2)
Basic Information
Formula
U4Al24Ir5Pt4
MP-ID
mp-3293109
Elements
4
Sites
37
Density
8.8632
g/cm³
Volume
625.96
ų
Cell a
7.4802
Å
Cell b
7.5540
Å
Cell c
13.0875
Å
α Angle
84.14
°
β Angle
78.85
°
γ Angle
59.63
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
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 |
|---|---|---|---|
| 6.88 | 12.8402 | 12.7 | (0,0,1) |
| 13.59 | 6.5171 | 7.4 | (0,1,0) |
| 13.78 | 6.4248 | 18.9 | (1,1,0) |
| 13.79 | 6.4201 | 11.1 | (0,0,2) |
| 13.91 | 6.3649 | 15.9 | (1,0,0) |
| 14.32 | 6.1868 | 2.1 | (1,1,1) |
| 14.48 | 6.1190 | 6.9 | (1,0,1) |
| 15.21 | 5.8236 | 8.4 | (0,1,1) |
| 15.28 | 5.7993 | 18.9 | (0,1,-1) |
| 16.45 | 5.3872 | 9.9 | (1,1,-1) |
| 17.77 | 4.9903 | 12.6 | (1,1,2) |
| 17.93 | 4.9470 | 2.2 | (1,0,2) |
| 19.36 | 4.5855 | 8.4 | (0,1,2) |
| 20.75 | 4.2801 | 43.2 | (0,0,3) |
| 21.18 | 4.1952 | 1.3 | (1,1,-2) |
| 21.22 | 4.1875 | 3.9 | (1,0,-2) |
| 23.05 | 3.8591 | 3.4 | (1,0,3) |
| 23.68 | 3.7567 | 67.5 | (1,2,0) |
| 23.90 | 3.7233 | 61.5 | (2,1,1) |
| 23.92 | 3.7208 | 61.2 | (1,-1,0) |
| 23.98 | 3.7105 | 3.0 | (1,2,1) |
| 24.26 | 3.6693 | 2.5 | (2,1,0) |
| 24.27 | 3.6667 | 2.5 | (1,-1,1) |
| 24.95 | 3.5691 | 4.0 | (0,1,-3) |
Energy Properties
Formation Energy/atom
-0.81576
eV/atom
Energy/atom
-26.46674
eV/atom
Energy above Hull
0.0201
eV/atom
Uncorrected Energy
-26.4667
eV/atom
Volume/atom
16.92
ų
c/a Ratio
1.7496
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
4.7457
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.007580
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.649
Element Family
PostTransition-Noble
Solute Fraction
0.351
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0322
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5821
J/mol·K
Ω Parameter
0.5916
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.383%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2917
smaller = more stable mixing
VEC
4.758
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-19.559
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7446
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293109
Reference Citation
The crystal structure and related material properties of U4Al24Ir5Pt4 were obtained from the Materials Project database (MP-ID: mp-3293109, 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_U4Al24Ir5Pt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48016768
_cell_length_b 7.55400488
_cell_length_c 13.08751033
_cell_angle_alpha 84.13510939
_cell_angle_beta 78.84864996
_cell_angle_gamma 59.62665954
_symmetry_Int_Tables_number 1
_chemical_formula_structural U4Al24Ir5Pt4
_chemical_formula_sum 'U4 Al24 Ir5 Pt4'
_cell_volume 625.95955237
_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 0.38784614 0.17364714 0.80537481 1.0
U U1 1 0.61215386 0.82635286 0.19462519 1.0
U U2 1 0.74171916 0.49724202 0.80477176 1.0
U U3 1 0.25828084 0.50275798 0.19522824 1.0
Al Al4 1 0.68016995 0.83712120 0.94881773 1.0
Al Al5 1 0.31983005 0.16287880 0.05118227 1.0
Al Al6 1 0.14604906 0.82501117 0.55992501 1.0
Al Al7 1 0.85395094 0.17498883 0.44007499 1.0
Al Al8 1 0.47668879 0.17049489 0.55807513 1.0
Al Al9 1 0.52331121 0.82950511 0.44192487 1.0
Al Al10 1 0.21429584 0.16479162 0.32841360 1.0
Al Al11 1 0.78570416 0.83520838 0.67158640 1.0
Al Al12 1 0.43342630 0.51075081 0.67168637 1.0
Al Al13 1 0.56657370 0.48924919 0.32831363 1.0
Al Al14 1 0.11080707 0.15568311 0.66508831 1.0
Al Al15 1 0.88919293 0.84431689 0.33491169 1.0
Al Al16 1 0.35422428 0.49958184 0.94875067 1.0
Al Al17 1 0.64577572 0.50041816 0.05124933 1.0
Al Al18 1 0.01185625 0.16827224 0.96296084 1.0
Al Al19 1 0.98814375 0.83172776 0.03703916 1.0
Al Al20 1 0.18139850 0.49941014 0.44441516 1.0
Al Al21 1 0.81860150 0.50058986 0.55558484 1.0
Al Al22 1 0.73627342 0.16187615 0.17921070 1.0
Al Al23 1 0.26372658 0.83812385 0.82078930 1.0
Al Al24 1 0.06007226 0.63625938 0.81880987 1.0
Al Al25 1 0.93992774 0.36374062 0.18119013 1.0
Al Al26 1 0.85376776 0.04348273 0.82082386 1.0
Al Al27 1 0.14623224 0.95651727 0.17917614 1.0
Ir Ir28 1 0.11903369 0.48959685 0.64301009 1.0
Ir Ir29 1 0.88096631 0.51040315 0.35698991 1.0
Ir Ir30 1 0.65792591 0.17092529 0.00036601 1.0
Ir Ir31 1 0.34207409 0.82907471 0.99963399 1.0
Ir Ir32 1 0.00000000 0.50000000 0.00000000 1.0
Pt Pt33 1 0.53722623 0.16809050 0.36107915 1.0
Pt Pt34 1 0.46277377 0.83190950 0.63892085 1.0
Pt Pt35 1 0.77806168 0.17429068 0.63801823 1.0
Pt Pt36 1 0.22193832 0.82570932 0.36198177 1.0
