Er2Al9RePt2
High-Entropy Materials HEAMP-ID: mp-3295331 · Space group: Cmcm (#63)
Basic Information
Formula
Er2Al9RePt2
MP-ID
mp-3295331
Elements
4
Sites
28
Density
8.1714
g/cm³
Volume
468.91
ų
Cell a
7.5259
Å
Cell b
7.5258
Å
Cell c
9.4180
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
118.47
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 13.38 | 6.6157 | 5.2 | (1,0,-1,0) |
| 13.38 | 6.6157 | 5.2 | (0,1,-1,0) |
| 13.69 | 6.4668 | 8.3 | (1,-1,0,0) |
| 16.37 | 5.4135 | 13.9 | (1,0,-1,1) |
| 16.37 | 5.4135 | 13.9 | (0,1,-1,1) |
| 18.84 | 4.7090 | 26.3 | (0,0,0,2) |
| 23.10 | 3.8496 | 32.9 | (1,1,-2,0) |
| 23.19 | 3.8364 | 2.9 | (1,0,-1,2) |
| 23.19 | 3.8364 | 2.9 | (0,1,-1,2) |
| 23.37 | 3.8067 | 1.7 | (1,-1,0,2) |
| 23.65 | 3.7616 | 27.8 | (2,-1,-1,0) |
| 23.65 | 3.7616 | 27.8 | (1,-2,1,0) |
| 24.99 | 3.5634 | 23.8 | (1,1,-2,1) |
| 25.50 | 3.4933 | 19.5 | (2,-1,-1,1) |
| 25.50 | 3.4933 | 19.5 | (1,-2,1,1) |
| 27.59 | 3.2334 | 8.0 | (2,-2,0,0) |
| 28.60 | 3.1209 | 3.8 | (2,0,-2,1) |
| 28.60 | 3.1209 | 3.8 | (0,2,-2,1) |
| 29.98 | 2.9804 | 94.5 | (1,1,-2,2) |
| 30.41 | 2.9390 | 100.0 | (2,-1,-1,2) |
| 30.41 | 2.9390 | 100.0 | (1,-2,1,2) |
| 31.54 | 2.8362 | 4.0 | (1,0,-1,3) |
| 31.54 | 2.8362 | 4.0 | (0,1,-1,3) |
| 33.10 | 2.7068 | 1.9 | (2,0,-2,2) |
Energy Properties
Formation Energy/atom
-0.81432
eV/atom
Energy/atom
-21.08759
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.0876
eV/atom
Volume/atom
16.75
ų
c/a Ratio
1.2514
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0010
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
1.0285
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5511
J/mol·K
Ω Parameter
0.6713
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.026%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2927
smaller = more stable mixing
VEC
5.571
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-17.784
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7419
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295331
Reference Citation
The crystal structure and related material properties of Er2Al9RePt2 were obtained from the Materials Project database (MP-ID: mp-3295331, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Er2Al9RePt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52587735
_cell_length_b 7.52583735
_cell_length_c 9.41797231
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.47103227
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Al9RePt2
_chemical_formula_sum 'Er4 Al18 Re2 Pt4'
_cell_volume 468.90733297
_cell_formula_units_Z 2
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 0.99255997 0.68446676 0.75000000 1.0
Er Er1 1 0.00744003 0.31553324 0.25000000 1.0
Er Er2 1 0.68445833 0.99256335 0.75000000 1.0
Er Er3 1 0.31554167 0.00743665 0.25000000 1.0
Al Al4 1 0.13365234 0.13365493 0.75000000 1.0
Al Al5 1 0.86634766 0.86634507 0.25000000 1.0
Al Al6 1 0.00183419 0.33546159 0.57694772 1.0
Al Al7 1 0.99816581 0.66453841 0.42305228 1.0
Al Al8 1 0.99816581 0.66453841 0.07694772 1.0
Al Al9 1 0.33545478 0.00183127 0.92304737 1.0
Al Al10 1 0.00183419 0.33546159 0.92305228 1.0
Al Al11 1 0.66454522 0.99816873 0.07695263 1.0
Al Al12 1 0.66454522 0.99816873 0.42304737 1.0
Al Al13 1 0.33545478 0.00183127 0.57695263 1.0
Al Al14 1 0.32896675 0.32896325 0.04737599 1.0
Al Al15 1 0.67103325 0.67103675 0.95262401 1.0
Al Al16 1 0.67103325 0.67103675 0.54737599 1.0
Al Al17 1 0.32896675 0.32896325 0.45262401 1.0
Al Al18 1 0.34384398 0.55184287 0.75000000 1.0
Al Al19 1 0.65615602 0.44815713 0.25000000 1.0
Al Al20 1 0.55183261 0.34384554 0.75000000 1.0
Al Al21 1 0.44816739 0.65615446 0.25000000 1.0
Re Re22 1 0.00000000 0.00000000 0.50000000 1.0
Re Re23 1 0.00000000 0.00000000 0.00000000 1.0
Pt Pt24 1 0.67202527 0.32796298 0.49999839 1.0
Pt Pt25 1 0.32797473 0.67203702 0.50000161 1.0
Pt Pt26 1 0.32797473 0.67203702 0.99999839 1.0
Pt Pt27 1 0.67202527 0.32796298 0.00000161 1.0
