Er9Cd5Pd4
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3294142 · Space group: P4/mmm (#123)
Basic Information
Formula
Er9Cd5Pd4
MP-ID
mp-3294142
Elements
3
Sites
18
Density
9.7893
g/cm³
Volume
422.89
ų
Cell a
10.7115
Å
Cell b
10.7115
Å
Cell c
3.6858
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 16.55 | 5.3558 | 2.4 | (2,0,0) |
| 24.94 | 3.5705 | 5.9 | (3,0,0) |
| 25.56 | 3.4852 | 2.1 | (1,0,1) |
| 29.42 | 3.0363 | 7.0 | (2,0,1) |
| 30.08 | 2.9708 | 1.4 | (3,2,0) |
| 30.60 | 2.9212 | 8.0 | (2,1,1) |
| 33.46 | 2.6779 | 4.1 | (4,0,0) |
| 33.94 | 2.6413 | 15.9 | (2,2,1) |
| 34.52 | 2.5979 | 9.0 | (4,1,0) |
| 34.99 | 2.5645 | 100.0 | (3,0,1) |
| 35.56 | 2.5247 | 57.1 | (3,3,0) |
| 36.01 | 2.4940 | 6.6 | (3,1,1) |
| 38.94 | 2.3130 | 11.8 | (3,2,1) |
| 42.58 | 2.1235 | 1.2 | (4,1,1) |
| 45.61 | 1.9891 | 4.6 | (5,2,0) |
| 49.19 | 1.8522 | 3.5 | (4,3,1) |
| 49.46 | 1.8429 | 14.3 | (0,0,2) |
| 49.97 | 1.8251 | 5.4 | (5,1,1) |
| 51.17 | 1.7853 | 15.9 | (6,0,0) |
| 54.15 | 1.6936 | 1.1 | (6,2,0) |
| 54.48 | 1.6843 | 1.9 | (4,4,1) |
| 55.93 | 1.6441 | 4.6 | (5,3,1) |
| 56.17 | 1.6376 | 1.5 | (3,0,2) |
| 58.05 | 1.5889 | 2.8 | (6,1,1) |
Energy Properties
Formation Energy/atom
-0.65030
eV/atom
Energy/atom
-28.30006
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.3001
eV/atom
Volume/atom
23.49
ų
c/a Ratio
0.3441
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0672
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000160
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.500
Element Family
Lanthanide
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0366
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6185
J/mol·K
Ω Parameter
2.6655
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.939%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3829
smaller = more stable mixing
VEC
11.556
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.760
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9436
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.465
Family
Er-rich Multi-Component
Matrix Element
Er · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294142
Reference Citation
The crystal structure and related material properties of Er9Cd5Pd4 were obtained from the Materials Project database (MP-ID: mp-3294142, 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_Er9Cd5Pd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.71151772
_cell_length_b 10.71151772
_cell_length_c 3.68577337
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er9Cd5Pd4
_chemical_formula_sum 'Er9 Cd5 Pd4'
_cell_volume 422.89314899
_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 0.33063171 0.33063171 0.50000000 1.0
Er Er1 1 0.66936829 0.66936829 0.50000000 1.0
Er Er2 1 0.33063171 0.66936829 0.50000000 1.0
Er Er3 1 0.66936829 0.33063171 0.50000000 1.0
Er Er4 1 0.00000000 0.29467514 0.50000000 1.0
Er Er5 1 0.00000000 0.70532486 0.50000000 1.0
Er Er6 1 0.29467514 0.00000000 0.50000000 1.0
Er Er7 1 0.70532486 0.00000000 0.50000000 1.0
Er Er8 1 0.00000000 0.00000000 0.00000000 1.0
Cd Cd9 1 0.50000000 0.14664254 0.00000000 1.0
Cd Cd10 1 0.50000000 0.85335746 0.00000000 1.0
Cd Cd11 1 0.14664254 0.50000000 0.00000000 1.0
Cd Cd12 1 0.85335746 0.50000000 0.00000000 1.0
Cd Cd13 1 0.50000000 0.50000000 0.00000000 1.0
Pd Pd14 1 0.19174692 0.19174692 0.00000000 1.0
Pd Pd15 1 0.80825308 0.80825308 0.00000000 1.0
Pd Pd16 1 0.19174692 0.80825308 0.00000000 1.0
Pd Pd17 1 0.80825308 0.19174692 0.00000000 1.0
