AgPd
Traditional Materials TRAMP-ID: mp-1183222 · Space group: P-6m2 (#187)
Basic Information
Formula
AgPd
MP-ID
mp-1183222
Elements
2
Sites
2
Density
11.0890
g/cm³
Volume
32.09
ų
Cell a
2.8141
Å
Cell b
2.8141
Å
Cell c
4.6790
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
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 12)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 36.88 | 2.4371 | 23.9 | (1,0,-1,0) |
| 38.48 | 2.3395 | 28.2 | (0,0,0,2) |
| 41.79 | 2.1615 | 100.0 | (1,0,-1,1) |
| 54.36 | 1.6877 | 15.0 | (1,0,-1,2) |
| 66.45 | 1.4070 | 16.0 | (2,-1,-1,0) |
| 71.87 | 1.3137 | 19.0 | (1,0,-1,3) |
| 78.49 | 1.2185 | 1.6 | (2,0,-2,0) |
| 79.49 | 1.2058 | 6.4 | (1,1,-2,2) |
| 79.49 | 1.2058 | 12.8 | (2,-1,-1,2) |
| 81.65 | 1.1792 | 9.0 | (2,0,-2,1) |
| 81.65 | 1.1792 | 4.5 | (2,-2,0,1) |
| 82.45 | 1.1698 | 2.9 | (0,0,0,4) |
Energy Properties
Formation Energy/atom
-0.06564
eV/atom
Energy/atom
-22.22380
eV/atom
Energy above Hull
0.0070
eV/atom
Uncorrected Energy
-22.2238
eV/atom
Volume/atom
16.04
ų
c/a Ratio
1.6627
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ag · 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
0.830
Family
Binary Alloy
Matrix Element
Ag · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183222
Reference Citation
The crystal structure and related material properties of AgPd were obtained from the Materials Project database (MP-ID: mp-1183222, 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_AgPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.81408084
_cell_length_b 2.81408084
_cell_length_c 4.67899081
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999296
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgPd
_chemical_formula_sum 'Ag1 Pd1'
_cell_volume 32.08898597
_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
Ag Ag0 1 -0.00000000 -0.00000000 0.50000000 1.0
Pd Pd1 1 0.66666700 0.33333300 -0.00000000 1.0
