CeCd5Ru2
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3296268 · Space group: P4_2/ncm (#138)
Basic Information
Formula
CeCd5Ru2
MP-ID
mp-3296268
Elements
3
Sites
32
Density
8.8742
g/cm³
Volume
676.86
ų
Cell a
7.3271
Å
Cell b
9.6113
Å
Cell c
9.6113
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4_2/ncm
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 |
|---|---|---|---|
| 13.03 | 6.7962 | 4.4 | (0,1,1) |
| 17.80 | 4.9828 | 3.8 | (1,1,1) |
| 18.46 | 4.8057 | 2.4 | (0,2,0) |
| 24.00 | 3.7075 | 12.7 | (1,2,1) |
| 26.03 | 3.4233 | 7.9 | (2,1,0) |
| 27.66 | 3.2249 | 9.9 | (2,1,1) |
| 29.39 | 3.0394 | 22.0 | (0,3,1) |
| 31.88 | 2.8074 | 49.3 | (1,3,1) |
| 32.10 | 2.7882 | 100.0 | (2,2,1) |
| 35.85 | 2.5051 | 22.4 | (1,3,2) |
| 36.05 | 2.4914 | 32.2 | (2,2,2) |
| 37.28 | 2.4117 | 63.9 | (2,3,0) |
| 37.43 | 2.4028 | 11.5 | (0,4,0) |
| 38.49 | 2.3392 | 3.4 | (2,3,1) |
| 39.19 | 2.2985 | 48.4 | (3,1,1) |
| 39.79 | 2.2654 | 59.8 | (0,3,3) |
| 40.61 | 2.2214 | 65.5 | (1,4,1) |
| 41.73 | 2.1643 | 12.0 | (1,3,3) |
| 41.91 | 2.1555 | 11.4 | (2,3,2) |
| 43.90 | 2.0623 | 3.9 | (1,4,2) |
| 45.13 | 2.0092 | 9.0 | (2,4,0) |
| 46.16 | 1.9667 | 1.6 | (2,4,1) |
| 47.17 | 1.9268 | 1.6 | (2,3,3) |
| 48.99 | 1.8593 | 2.2 | (1,5,0) |
Energy Properties
Formation Energy/atom
-0.19998
eV/atom
Energy/atom
-22.97681
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.9768
eV/atom
Volume/atom
21.15
ų
c/a Ratio
1.3118
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0002
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
Cd · 0.625
Element Family
4d-TM
Solute Fraction
0.375
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9003
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.4847
J/mol·K
Ω Parameter
1.1263
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.750%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3201
smaller = more stable mixing
VEC
9.875
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-7.686
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8194
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.600
Family
Cd-rich Multi-Component
Matrix Element
Cd · 0.625
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296268
Reference Citation
The crystal structure and related material properties of CeCd5Ru2 were obtained from the Materials Project database (MP-ID: mp-3296268, 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_CeCd5Ru2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.32709679
_cell_length_b 9.61129533
_cell_length_c 9.61129533
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeCd5Ru2
_chemical_formula_sum 'Ce4 Cd20 Ru8'
_cell_volume 676.85520381
_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 0.57904408 0.75000000 0.75000000 1.0
Ce Ce1 1 0.07904408 0.75000000 0.75000000 1.0
Ce Ce2 1 0.42095592 0.25000000 0.25000000 1.0
Ce Ce3 1 0.92095592 0.25000000 0.25000000 1.0
Cd Cd4 1 0.00000000 0.50000000 0.50000000 1.0
Cd Cd5 1 0.50000000 0.50000000 0.00000000 1.0
Cd Cd6 1 0.50000000 0.00000000 0.50000000 1.0
Cd Cd7 1 0.00000000 0.00000000 0.00000000 1.0
Cd Cd8 1 0.84734474 0.05797455 0.70401157 1.0
Cd Cd9 1 0.34734474 0.05797455 0.79598843 1.0
Cd Cd10 1 0.34734474 0.44202545 0.70401157 1.0
Cd Cd11 1 0.84734474 0.44202545 0.79598843 1.0
Cd Cd12 1 0.84734474 0.70401157 0.05797455 1.0
Cd Cd13 1 0.34734474 0.79598843 0.05797455 1.0
Cd Cd14 1 0.34734474 0.70401157 0.44202545 1.0
Cd Cd15 1 0.84734474 0.79598843 0.44202545 1.0
Cd Cd16 1 0.15265526 0.94202545 0.29598843 1.0
Cd Cd17 1 0.65265526 0.94202545 0.20401157 1.0
Cd Cd18 1 0.65265526 0.55797455 0.29598843 1.0
Cd Cd19 1 0.15265526 0.55797455 0.20401157 1.0
Cd Cd20 1 0.15265526 0.29598843 0.94202545 1.0
Cd Cd21 1 0.65265526 0.20401157 0.94202545 1.0
Cd Cd22 1 0.65265526 0.29598843 0.55797455 1.0
Cd Cd23 1 0.15265526 0.20401157 0.55797455 1.0
Ru Ru24 1 0.65611033 0.58938648 0.58938648 1.0
Ru Ru25 1 0.15611033 0.58938648 0.91061352 1.0
Ru Ru26 1 0.15611033 0.91061352 0.58938648 1.0
Ru Ru27 1 0.65611033 0.91061352 0.91061352 1.0
Ru Ru28 1 0.34388967 0.41061352 0.41061352 1.0
Ru Ru29 1 0.84388967 0.41061352 0.08938648 1.0
Ru Ru30 1 0.84388967 0.08938648 0.41061352 1.0
Ru Ru31 1 0.34388967 0.08938648 0.08938648 1.0
