CePd
Traditional Materials TRAMP-ID: mp-1018086 · Space group: Cmcm (#63)
Basic Information
Formula
CePd
MP-ID
mp-1018086
Elements
2
Sites
4
Density
8.3236
g/cm³
Volume
98.37
ų
Cell a
3.8802
Å
Cell b
4.5494
Å
Cell c
5.9004
Å
α Angle
90.00
°
β Angle
70.80
°
γ Angle
90.00
°
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 |
|---|---|---|---|
| 15.90 | 5.5723 | 4.4 | (0,0,1) |
| 25.27 | 3.5241 | 5.5 | (0,1,1) |
| 31.34 | 2.8538 | 100.0 | (1,1,0) |
| 32.13 | 2.7862 | 34.6 | (0,0,2) |
| 33.39 | 2.6834 | 9.6 | (1,0,-1) |
| 33.39 | 2.6834 | 9.6 | (1,0,2) |
| 37.87 | 2.3760 | 18.6 | (0,1,2) |
| 38.97 | 2.3113 | 70.5 | (1,1,-1) |
| 39.62 | 2.2747 | 30.8 | (0,2,0) |
| 46.83 | 1.9401 | 19.0 | (2,0,1) |
| 51.36 | 1.7789 | 3.5 | (1,1,-2) |
| 51.36 | 1.7789 | 3.5 | (1,1,3) |
| 51.89 | 1.7620 | 17.8 | (0,2,2) |
| 52.76 | 1.7351 | 10.4 | (1,2,-1) |
| 53.27 | 1.7196 | 5.2 | (0,1,3) |
| 53.95 | 1.6996 | 1.5 | (2,1,0) |
| 57.92 | 1.5921 | 6.4 | (2,0,-1) |
| 57.92 | 1.5921 | 6.4 | (2,0,3) |
| 61.73 | 1.5028 | 8.7 | (2,1,-1) |
| 62.97 | 1.4761 | 15.5 | (2,2,1) |
| 63.12 | 1.4729 | 11.8 | (1,0,-3) |
| 66.75 | 1.4013 | 4.9 | (1,1,-3) |
| 66.76 | 1.4012 | 11.1 | (1,3,0) |
| 70.73 | 1.3320 | 5.7 | (0,1,4) |
Energy Properties
Formation Energy/atom
-0.77484
eV/atom
Energy/atom
-27.67538
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.6754
eV/atom
Volume/atom
24.59
ų
c/a Ratio
1.5206
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.4909
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.025320
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Ce · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018086
Reference Citation
The crystal structure and related material properties of CePd were obtained from the Materials Project database (MP-ID: mp-1018086, 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_CePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88023775
_cell_length_b 4.54937007
_cell_length_c 5.90041634
_cell_angle_alpha 90.00000000
_cell_angle_beta 70.80341169
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CePd
_chemical_formula_sum 'Ce2 Pd2'
_cell_volume 98.36630916
_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 0.13650345 0.75000000 0.72699110 1.0
Ce Ce1 1 0.86349655 0.25000000 0.27300890 1.0
Pd Pd2 1 0.41261499 0.75000000 0.17477003 1.0
Pd Pd3 1 0.58738501 0.25000000 0.82522997 1.0
