PdN
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1009548 · Space group: Fm-3m (#225)
Basic Information
Formula
PdN
MP-ID
mp-1009548
Elements
2
Sites
2
Density
9.1227
g/cm³
Volume
21.92
ų
Cell a
3.1414
Å
Cell b
3.1414
Å
Cell c
3.1414
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 |
|---|---|---|---|
| 34.98 | 2.5649 | 100.0 | (1,1,1) |
| 40.62 | 2.2213 | 80.6 | (1,1,0) |
| 58.79 | 1.5707 | 51.4 | (2,1,1) |
| 70.27 | 1.3395 | 40.8 | (2,2,1) |
| 73.90 | 1.2825 | 16.8 | (2,2,2) |
| 87.91 | 1.1107 | 8.1 | (2,2,0) |
Energy Properties
Formation Energy/atom
0.95243
eV/atom
Energy/atom
-15.09217
eV/atom
Energy above Hull
0.9524
eV/atom
Uncorrected Energy
-5.6253
eV/atom
Volume/atom
10.96
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
0.0010
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
μB/ų
Elastic Properties
KVRH
211.396
GPa
GVRH
53.900
GPa
Young's Modulus E
149.034
GPa
Poisson Ratio ν
0.383
Pugh Ratio K/G
3.922
Vickers Hardness Est.
1.165
GPa
Ductility
Brittle
Anisotropy
0.480
Lame λ
175.463
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pd · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Pd · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4800
Homogeneous Poisson ν
0.3830
Debye Temperature
367.8
K
Sound Velocity
2,745.0
m/s
Homogeneity
0.3830
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009548
Reference Citation
The crystal structure and related material properties of PdN were obtained from the Materials Project database (MP-ID: mp-1009548, 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_PdN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.14138269
_cell_length_b 3.14138269
_cell_length_c 3.14138269
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PdN
_chemical_formula_sum 'Pd1 N1'
_cell_volume 21.92035280
_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
N N1 1 0.50000000 0.50000000 0.50000000 1.0
