Basic Information
Formula
PdC
MP-ID
mp-1009533
Elements
2
Sites
2
Density
8.9872
g/cm³
Volume
21.88
ų
Cell a
3.1396
Å
Cell b
3.1396
Å
Cell c
3.1396
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
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 6)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 35.00 | 2.5634 | 100.0 | (1,1,1) |
| 40.64 | 2.2200 | 72.2 | (1,1,0) |
| 58.83 | 1.5698 | 46.4 | (2,1,1) |
| 70.32 | 1.3387 | 39.9 | (2,2,1) |
| 73.95 | 1.2817 | 15.3 | (2,2,2) |
| 87.98 | 1.1100 | 7.5 | (2,2,0) |
Energy Properties
Formation Energy/atom
1.48726
eV/atom
Energy/atom
-14.96658
eV/atom
Energy above Hull
1.4873
eV/atom
Uncorrected Energy
-5.7170
eV/atom
Volume/atom
10.94
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
KVRH
215.846
GPa
GVRH
47.559
GPa
Young's Modulus E
132.915
GPa
Poisson Ratio ν
0.397
Pugh Ratio K/G
4.538
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.097
Lame λ
184.140
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pd · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Pd · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009533
Reference Citation
The crystal structure and related material properties of PdC were obtained from the Materials Project database (MP-ID: mp-1009533, 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_PdC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13955411
_cell_length_b 3.13955411
_cell_length_c 3.13955411
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PdC
_chemical_formula_sum 'Pd1 C1'
_cell_volume 21.88209600
_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
Pd Pd0 1 0.00000000 0.00000000 0.00000000 1.0
C C1 1 0.50000000 0.50000000 0.50000000 1.0
