CeCdAsO
High-Entropy Materials HEA Elasticity Data ELAMP-ID: mp-10316 · Space group: P4/nmm (#129)
Basic Information
Formula
CeCdAsO
MP-ID
mp-10316
Elements
4
Sites
8
Density
7.1108
g/cm³
Volume
160.41
ų
Cell a
4.1632
Å
Cell b
4.1632
Å
Cell c
9.2548
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/nmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
No
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 |
|---|---|---|---|
| 9.56 | 9.2548 | 4.0 | (0,0,1) |
| 19.18 | 4.6274 | 9.5 | (0,0,2) |
| 23.43 | 3.7967 | 2.9 | (1,0,1) |
| 28.85 | 3.0950 | 100.0 | (1,0,2) |
| 28.94 | 3.0849 | 14.1 | (0,0,3) |
| 30.36 | 2.9438 | 9.4 | (1,1,0) |
| 31.90 | 2.8053 | 70.4 | (1,1,1) |
| 36.16 | 2.4838 | 64.1 | (1,1,2) |
| 36.24 | 2.4786 | 36.0 | (1,0,3) |
| 42.44 | 2.1297 | 3.7 | (1,1,3) |
| 43.47 | 2.0816 | 59.2 | (2,0,0) |
| 44.82 | 2.0224 | 4.6 | (1,0,4) |
| 47.92 | 1.8984 | 3.0 | (2,0,2) |
| 49.23 | 1.8510 | 12.8 | (0,0,5) |
| 50.15 | 1.8191 | 36.3 | (1,1,4) |
| 53.02 | 1.7273 | 36.3 | (2,1,2) |
| 53.07 | 1.7255 | 10.6 | (2,0,3) |
| 54.23 | 1.6913 | 6.0 | (1,0,5) |
| 57.85 | 1.5940 | 18.4 | (2,1,3) |
| 58.94 | 1.5670 | 2.3 | (1,1,5) |
| 59.97 | 1.5425 | 1.8 | (0,0,6) |
| 63.17 | 1.4719 | 18.7 | (2,2,0) |
| 64.21 | 1.4505 | 3.1 | (2,1,4) |
| 64.42 | 1.4464 | 1.2 | (1,0,6) |
Energy Properties
Formation Energy/atom
-1.85337
eV/atom
Energy/atom
-5.98213
eV/atom
Energy above Hull
0.0243
eV/atom
Uncorrected Energy
-5.8104
eV/atom
Volume/atom
20.05
ų
c/a Ratio
2.2230
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.9963
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.012440
μB/ų
Elastic Properties
KVRH
70.396
GPa
GVRH
27.351
GPa
Young's Modulus E
72.645
GPa
Poisson Ratio ν
0.328
Pugh Ratio K/G
2.574
Vickers Hardness Est.
1.584
GPa
Ductility
Brittle
Anisotropy
0.831
Lame λ
52.162
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.250
Element Family
Lanthanide
Solute Fraction
0.750
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3863
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.5257
J/mol·K
Ω Parameter
1.1978
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
36.234%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.8559
smaller = more stable mixing
VEC
5.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.752
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.8310
Homogeneous Poisson ν
0.3280
Debye Temperature
266.9
K
Sound Velocity
2,198.6
m/s
Homogeneity
0.3280
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10316
Reference Citation
The crystal structure and related material properties of CeCdAsO were obtained from the Materials Project database (MP-ID: mp-10316, 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_CeCdAsO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16320100
_cell_length_b 4.16320100
_cell_length_c 9.25481800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeCdAsO
_chemical_formula_sum 'Ce2 Cd2 As2 O2'
_cell_volume 160.40675048
_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
Ce Ce0 1 0.00000000 0.50000000 0.87479000 1.0
Ce Ce1 1 0.50000000 0.00000000 0.12521000 1.0
Cd Cd2 1 0.00000000 0.00000000 0.50000000 1.0
Cd Cd3 1 0.50000000 0.50000000 0.50000000 1.0
As As4 1 0.50000000 0.00000000 0.70376000 1.0
As As5 1 0.00000000 0.50000000 0.29624000 1.0
O O6 1 0.00000000 0.00000000 0.00000000 1.0
O O7 1 0.50000000 0.50000000 0.00000000 1.0
