Basic Information
Formula
CeCdAu
MP-ID
mp-11082
Elements
3
Sites
9
Density
10.1074
g/cm³
Volume
221.54
ų
Cell a
7.8884
Å
Cell b
7.8910
Å
Cell c
4.1078
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.95
°
Space Group
P-62m
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 21.63 | 4.1078 | 4.1 | (0,0,0,1) |
| 22.52 | 3.9475 | 21.3 | (1,1,-2,0) |
| 22.54 | 3.9455 | 21.1 | (1,-2,1,0) |
| 22.54 | 3.9442 | 21.0 | (2,-1,-1,0) |
| 25.29 | 3.5211 | 13.0 | (0,1,-1,1) |
| 25.30 | 3.5208 | 12.8 | (1,0,-1,1) |
| 25.30 | 3.5203 | 12.7 | (1,-1,0,1) |
| 26.07 | 3.4185 | 3.3 | (0,2,-2,0) |
| 26.08 | 3.4173 | 3.2 | (2,0,-2,0) |
| 26.09 | 3.4156 | 3.1 | (2,-2,0,0) |
| 31.43 | 2.8463 | 70.3 | (1,1,-2,1) |
| 31.44 | 2.8455 | 69.7 | (1,-2,1,1) |
| 31.44 | 2.8450 | 69.9 | (2,-1,-1,1) |
| 34.12 | 2.6276 | 98.9 | (0,2,-2,1) |
| 34.13 | 2.6271 | 99.5 | (2,0,-2,1) |
| 34.14 | 2.6263 | 100.0 | (2,-2,0,1) |
| 34.71 | 2.5844 | 15.9 | (1,2,-3,0) |
| 34.72 | 2.5840 | 15.9 | (2,1,-3,0) |
| 34.72 | 2.5834 | 16.1 | (1,-3,2,0) |
| 34.74 | 2.5825 | 15.8 | (2,-3,1,0) |
| 34.74 | 2.5824 | 15.9 | (3,-1,-2,0) |
| 34.75 | 2.5819 | 15.8 | (3,-2,-1,0) |
| 39.54 | 2.2790 | 46.9 | (0,3,-3,0) |
| 39.56 | 2.2782 | 46.7 | (3,0,-3,0) |
Energy Properties
Formation Energy/atom
-0.53182
eV/atom
Energy/atom
-3.92210
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-34.5225
eV/atom
Volume/atom
24.62
ų
c/a Ratio
0.5207
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.8559
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.017400
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.390
Family
Ce-rich Multi-Component
Matrix Element
Ce · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11082
Reference Citation
The crystal structure and related material properties of CeCdAu were obtained from the Materials Project database (MP-ID: mp-11082, 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_CeCdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88838834
_cell_length_b 7.89099145
_cell_length_c 4.10776911
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.95485687
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeCdAu
_chemical_formula_sum 'Ce3 Cd3 Au3'
_cell_volume 221.54088634
_cell_formula_units_Z 3
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 0.59181966 0.59210359 0.00000000 1.0
Ce Ce1 1 0.40791897 0.99968075 0.00000000 1.0
Ce Ce2 1 -0.00015001 0.40795002 0.00000000 1.0
Cd Cd3 1 0.00020380 0.74771799 0.50000000 1.0
Cd Cd4 1 0.25233601 0.25234377 0.50000000 1.0
Cd Cd5 1 0.74798328 0.00031354 0.50000000 1.0
Au Au6 1 0.99991703 0.00019041 -0.00000000 1.0
Au Au7 1 0.33325720 0.66603157 0.50000000 1.0
Au Au8 1 0.66671206 0.33366936 0.50000000 1.0
