CeAl5Pt3
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-672344 · Space group: Pnma (#62)
Basic Information
Formula
CeAl5Pt3
MP-ID
mp-672344
Elements
3
Sites
36
Density
9.0328
g/cm³
Volume
632.60
ų
Cell a
4.1563
Å
Cell b
7.3298
Å
Cell c
20.7650
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 17.08 | 5.1913 | 2.0 | (0,0,4) |
| 20.97 | 4.2364 | 3.4 | (0,1,4) |
| 23.05 | 3.8586 | 20.3 | (1,0,2) |
| 24.67 | 3.6091 | 9.9 | (0,2,1) |
| 25.74 | 3.4608 | 57.4 | (0,0,6) |
| 26.10 | 3.4144 | 28.0 | (1,1,2) |
| 27.49 | 3.2445 | 87.9 | (1,0,4) |
| 27.54 | 3.2389 | 93.2 | (0,2,3) |
| 27.84 | 3.2046 | 53.6 | (1,1,3) |
| 28.52 | 3.1295 | 15.5 | (0,1,6) |
| 30.12 | 2.9668 | 30.7 | (1,1,4) |
| 32.56 | 2.7498 | 18.0 | (0,1,7) |
| 32.59 | 2.7479 | 12.8 | (0,2,5) |
| 32.84 | 2.7269 | 37.7 | (1,1,5) |
| 32.87 | 2.7251 | 100.0 | (1,2,1) |
| 33.70 | 2.6595 | 9.4 | (1,0,6) |
| 35.13 | 2.5548 | 32.8 | (1,2,3) |
| 35.92 | 2.5001 | 7.9 | (1,1,6) |
| 36.73 | 2.4467 | 7.8 | (0,1,8) |
| 37.05 | 2.4265 | 13.0 | (0,3,1) |
| 37.83 | 2.3783 | 15.5 | (0,3,2) |
| 39.07 | 2.3058 | 3.7 | (0,2,7) |
| 39.31 | 2.2922 | 30.2 | (1,2,5) |
| 40.82 | 2.2107 | 3.0 | (0,3,4) |
Energy Properties
Formation Energy/atom
-1.01133
eV/atom
Energy/atom
-5.77557
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-5.7756
eV/atom
Volume/atom
17.57
ų
c/a Ratio
4.9961
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.0834
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.003290
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.556
Element Family
PostTransition-Noble
Solute Fraction
0.444
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9369
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.7893
J/mol·K
Ω Parameter
0.1980
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.425%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3844
smaller = more stable mixing
VEC
5.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-51.830
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8528
SS Former
0
Phase Tendency
AM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.728
Family
Al-based Alloy
Matrix Element
Al · 0.556
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-672344
Reference Citation
The crystal structure and related material properties of CeAl5Pt3 were obtained from the Materials Project database (MP-ID: mp-672344, 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_CeAl5Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15626300
_cell_length_b 7.32978300
_cell_length_c 20.76501900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeAl5Pt3
_chemical_formula_sum 'Ce4 Al20 Pt12'
_cell_volume 632.59604344
_cell_formula_units_Z 4
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
Ce Ce0 1 0.25000000 0.11809500 0.64050600 1.0
Ce Ce1 1 0.75000000 0.88190500 0.35949400 1.0
Ce Ce2 1 0.25000000 0.38190500 0.14050600 1.0
Ce Ce3 1 0.75000000 0.61809500 0.85949400 1.0
Al Al4 1 0.75000000 0.35601300 0.38280100 1.0
Al Al5 1 0.75000000 0.88631600 0.98272200 1.0
Al Al6 1 0.75000000 0.68783200 0.20063900 1.0
Al Al7 1 0.25000000 0.86863000 0.49249900 1.0
Al Al8 1 0.25000000 0.63137000 0.99249900 1.0
Al Al9 1 0.25000000 0.31216800 0.79936100 1.0
Al Al10 1 0.75000000 0.07477000 0.20811100 1.0
Al Al11 1 0.25000000 0.64398700 0.61719900 1.0
Al Al12 1 0.25000000 0.57477000 0.29188900 1.0
Al Al13 1 0.25000000 0.18783200 0.29936100 1.0
Al Al14 1 0.75000000 0.14398700 0.88280100 1.0
Al Al15 1 0.25000000 0.92523000 0.79188900 1.0
Al Al16 1 0.75000000 0.36863000 0.00750100 1.0
Al Al17 1 0.75000000 0.61368400 0.48272200 1.0
Al Al18 1 0.75000000 0.13137000 0.50750100 1.0
Al Al19 1 0.25000000 0.11368400 0.01727800 1.0
Al Al20 1 0.25000000 0.85601300 0.11719900 1.0
Al Al21 1 0.25000000 0.38631600 0.51727800 1.0
Al Al22 1 0.75000000 0.42523000 0.70811100 1.0
Al Al23 1 0.75000000 0.81216800 0.70063900 1.0
Pt Pt24 1 0.75000000 0.38292300 0.26173100 1.0
Pt Pt25 1 0.25000000 0.88292300 0.23826900 1.0
Pt Pt26 1 0.25000000 0.61707700 0.73826900 1.0
Pt Pt27 1 0.75000000 0.11707700 0.76173100 1.0
Pt Pt28 1 0.25000000 0.16086500 0.42686600 1.0
Pt Pt29 1 0.75000000 0.41983300 0.58457600 1.0
Pt Pt30 1 0.75000000 0.08016700 0.08457600 1.0
Pt Pt31 1 0.25000000 0.91983300 0.91542400 1.0
Pt Pt32 1 0.75000000 0.83913500 0.57313400 1.0
Pt Pt33 1 0.25000000 0.33913500 0.92686600 1.0
Pt Pt34 1 0.75000000 0.66086500 0.07313400 1.0
Pt Pt35 1 0.25000000 0.58016700 0.41542400 1.0
