Er2Al9Co2Pd
High-Entropy Materials HEAMP-ID: mp-3295032 · Space group: Cmcm (#63)
Basic Information
Formula
Er2Al9Co2Pd
MP-ID
mp-3295032
Elements
4
Sites
28
Density
6.0586
g/cm³
Volume
439.43
ų
Cell a
7.3742
Å
Cell b
7.3742
Å
Cell c
9.2328
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
118.93
°
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 |
|---|---|---|---|
| 13.72 | 6.4542 | 40.0 | (1,0,-1,0) |
| 13.72 | 6.4542 | 40.0 | (0,1,-1,0) |
| 13.94 | 6.3514 | 11.7 | (1,-1,0,0) |
| 16.76 | 5.2898 | 48.7 | (1,0,-1,1) |
| 16.76 | 5.2898 | 48.7 | (0,1,-1,1) |
| 19.23 | 4.6164 | 5.6 | (0,0,0,2) |
| 23.70 | 3.7548 | 1.7 | (1,0,-1,2) |
| 23.70 | 3.7548 | 1.7 | (0,1,-1,2) |
| 23.75 | 3.7468 | 1.3 | (1,1,-2,0) |
| 23.83 | 3.7342 | 36.7 | (1,-1,0,2) |
| 25.66 | 3.4718 | 87.1 | (1,1,-2,1) |
| 26.03 | 3.4236 | 78.7 | (2,-1,-1,1) |
| 26.03 | 3.4236 | 78.7 | (1,-2,1,1) |
| 27.64 | 3.2271 | 8.1 | (2,0,-2,0) |
| 27.64 | 3.2271 | 8.1 | (0,2,-2,0) |
| 28.10 | 3.1757 | 16.6 | (2,-2,0,0) |
| 29.32 | 3.0464 | 18.3 | (2,0,-2,1) |
| 29.32 | 3.0464 | 18.3 | (0,2,-2,1) |
| 30.73 | 2.9092 | 78.9 | (1,1,-2,2) |
| 31.05 | 2.8807 | 85.7 | (2,-1,-1,2) |
| 31.05 | 2.8807 | 85.7 | (1,-2,1,2) |
| 32.22 | 2.7780 | 13.7 | (1,0,-1,3) |
| 32.22 | 2.7779 | 13.7 | (0,1,-1,3) |
| 34.27 | 2.6164 | 74.9 | (2,-2,0,2) |
Energy Properties
Formation Energy/atom
-0.63422
eV/atom
Energy/atom
-13.33913
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.3391
eV/atom
Volume/atom
15.69
ų
c/a Ratio
1.2520
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0011
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
0.6959
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.601%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2325
smaller = more stable mixing
VEC
5.643
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-15.245
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-3295032
Reference Citation
The crystal structure and related material properties of Er2Al9Co2Pd were obtained from the Materials Project database (MP-ID: mp-3295032, 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_Er2Al9Co2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37418707
_cell_length_b 7.37416442
_cell_length_c 9.23279761
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.92641739
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Al9Co2Pd
_chemical_formula_sum 'Er4 Al18 Co4 Pd2'
_cell_volume 439.42851736
_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 0.99550377 0.67879806 0.25000000 1.0
Er Er1 1 0.00449623 0.32120194 0.75000000 1.0
Er Er2 1 0.67879706 0.99550377 0.25000000 1.0
Er Er3 1 0.32120294 0.00449623 0.75000000 1.0
Al Al4 1 0.14196022 0.14196022 0.25000000 1.0
Al Al5 1 0.85803978 0.85803978 0.75000000 1.0
Al Al6 1 0.99968766 0.34544424 0.07403107 1.0
Al Al7 1 0.00031234 0.65455576 0.92596893 1.0
Al Al8 1 0.00031234 0.65455576 0.57403107 1.0
Al Al9 1 0.34544424 0.99968866 0.42596893 1.0
Al Al10 1 0.99968766 0.34544424 0.42596893 1.0
Al Al11 1 0.65455576 0.00031134 0.57403107 1.0
Al Al12 1 0.65455576 0.00031134 0.92596893 1.0
Al Al13 1 0.34544424 0.99968866 0.07403107 1.0
Al Al14 1 0.33988715 0.33988715 0.54620298 1.0
Al Al15 1 0.66011285 0.66011285 0.45379702 1.0
Al Al16 1 0.66011285 0.66011285 0.04620298 1.0
Al Al17 1 0.33988715 0.33988715 0.95379702 1.0
Al Al18 1 0.34133555 0.56090084 0.25000000 1.0
Al Al19 1 0.65866445 0.43909916 0.75000000 1.0
Al Al20 1 0.56089984 0.34133555 0.25000000 1.0
Al Al21 1 0.43910016 0.65866445 0.75000000 1.0
Co Co22 1 0.67185319 0.32814581 0.00000100 1.0
Co Co23 1 0.32814681 0.67185419 0.99999900 1.0
Co Co24 1 0.32814681 0.67185419 0.50000100 1.0
Co Co25 1 0.67185319 0.32814581 0.49999900 1.0
Pd Pd26 1 0.00000000 0.00000000 0.00000000 1.0
Pd Pd27 1 0.00000000 0.00000000 0.50000000 1.0
