Er4Al18RePt5
High-Entropy Materials HEAMP-ID: mp-3292371 · Space group: C2/m (#12)
Basic Information
Formula
Er4Al18RePt5
MP-ID
mp-3292371
Elements
4
Sites
28
Density
8.2612
g/cm³
Volume
465.59
ų
Cell a
7.5480
Å
Cell b
7.5480
Å
Cell c
9.3745
Å
α Angle
89.79
°
β Angle
89.79
°
γ Angle
119.33
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 13.46 | 6.5801 | 9.4 | (1,0,-1,0) |
| 13.59 | 6.5147 | 12.1 | (1,-1,0,0) |
| 16.41 | 5.4018 | 12.9 | (1,0,-1,1) |
| 16.51 | 5.3698 | 6.6 | (0,1,-1,-1) |
| 16.51 | 5.3698 | 6.6 | (1,0,-1,-1) |
| 18.93 | 4.6871 | 26.9 | (0,0,0,2) |
| 23.23 | 3.8291 | 1.8 | (1,0,-1,2) |
| 23.34 | 3.8119 | 31.5 | (1,1,-2,0) |
| 23.37 | 3.8062 | 1.1 | (0,1,-1,-2) |
| 23.37 | 3.8062 | 1.1 | (1,0,-1,-2) |
| 23.38 | 3.8047 | 3.1 | (1,-1,0,2) |
| 23.58 | 3.7737 | 59.5 | (2,-1,-1,0) |
| 25.16 | 3.5402 | 10.6 | (1,1,-2,1) |
| 25.29 | 3.5221 | 11.5 | (1,1,-2,-1) |
| 25.41 | 3.5051 | 22.8 | (2,-1,-1,1) |
| 25.48 | 3.4963 | 10.2 | (1,-2,1,1) |
| 25.48 | 3.4963 | 10.2 | (2,-1,-1,-1) |
| 27.38 | 3.2573 | 5.7 | (2,-2,0,0) |
| 28.70 | 3.1106 | 5.6 | (2,0,-2,1) |
| 28.82 | 3.0983 | 4.7 | (2,0,-2,-1) |
| 30.11 | 2.9680 | 53.1 | (1,1,-2,2) |
| 30.33 | 2.9468 | 49.4 | (1,1,-2,-2) |
| 30.35 | 2.9446 | 100.0 | (2,-1,-1,2) |
| 30.46 | 2.9342 | 53.0 | (1,-2,1,2) |
Energy Properties
Formation Energy/atom
-0.89649
eV/atom
Energy/atom
-21.13680
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.1368
eV/atom
Volume/atom
16.63
ų
c/a Ratio
1.2420
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0009
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
Al · 0.643
Element Family
PostTransition-Noble
Solute Fraction
0.357
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9887
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2198
J/mol·K
Ω Parameter
0.5179
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.986%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3111
smaller = more stable mixing
VEC
5.679
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-21.355
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7132
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292371
Reference Citation
The crystal structure and related material properties of Er4Al18RePt5 were obtained from the Materials Project database (MP-ID: mp-3292371, 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_Er4Al18RePt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.54796800
_cell_length_b 7.54796911
_cell_length_c 9.37448086
_cell_angle_alpha 89.78774536
_cell_angle_beta 89.78773983
_cell_angle_gamma 119.33335229
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er4Al18RePt5
_chemical_formula_sum 'Er4 Al18 Re1 Pt5'
_cell_volume 465.59116023
_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
Er Er0 1 0.99406404 0.67479785 0.24785917 1.0
Er Er1 1 0.00593596 0.32520215 0.75214083 1.0
Er Er2 1 0.67479785 0.99406404 0.24785917 1.0
Er Er3 1 0.32520215 0.00593596 0.75214083 1.0
Al Al4 1 0.13126974 0.13126974 0.24707328 1.0
Al Al5 1 0.86873026 0.86873026 0.75292672 1.0
Al Al6 1 0.00007259 0.33096806 0.07493972 1.0
Al Al7 1 0.99992741 0.66903194 0.92506028 1.0
Al Al8 1 0.99868239 0.66271089 0.57871831 1.0
Al Al9 1 0.33728911 0.00131761 0.42128169 1.0
Al Al10 1 0.00131761 0.33728911 0.42128169 1.0
Al Al11 1 0.66271089 0.99868239 0.57871831 1.0
Al Al12 1 0.66903194 0.99992741 0.92506028 1.0
Al Al13 1 0.33096806 0.00007259 0.07493972 1.0
Al Al14 1 0.33365483 0.33365483 0.55656120 1.0
Al Al15 1 0.66634517 0.66634517 0.44343880 1.0
Al Al16 1 0.67088975 0.67088975 0.05231123 1.0
Al Al17 1 0.32911025 0.32911025 0.94768877 1.0
Al Al18 1 0.34171169 0.54855117 0.24940230 1.0
Al Al19 1 0.65828831 0.45144883 0.75059770 1.0
Al Al20 1 0.54855117 0.34171169 0.24940230 1.0
Al Al21 1 0.45144883 0.65828831 0.75059770 1.0
Re Re22 1 0.00000000 0.00000000 0.00000000 1.0
Pt Pt23 1 0.67227836 0.32772164 0.00000000 1.0
Pt Pt24 1 0.32772164 0.67227836 1.00000000 1.0
Pt Pt25 1 0.32744200 0.67255800 0.50000000 1.0
Pt Pt26 1 0.67255800 0.32744200 0.50000000 1.0
Pt Pt27 1 0.00000000 0.00000000 0.50000000 1.0
