Pd13Pb9
Traditional Materials TRAMP-ID: mp-30826 · Space group: C2/c (#15)
Basic Information
Formula
Pd13Pb9
MP-ID
mp-30826
Elements
2
Sites
44
Density
12.3409
g/cm³
Volume
874.15
ų
Cell a
9.2651
Å
Cell b
9.2651
Å
Cell c
14.2045
Å
α Angle
60.92
°
β Angle
60.92
°
γ Angle
60.02
°
Space Group
C2/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
No
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 |
|---|---|---|---|
| 26.85 | 3.3199 | 5.3 | (2,2,0) |
| 26.88 | 3.3174 | 24.1 | (2,0,-1) |
| 26.93 | 3.3109 | 11.0 | (2,0,3) |
| 26.96 | 3.3068 | 11.4 | (2,2,4) |
| 28.79 | 3.1007 | 1.0 | (1,0,-3) |
| 29.69 | 3.0091 | 6.4 | (3,2,2) |
| 29.69 | 3.0091 | 1.5 | (2,-1,0) |
| 29.70 | 3.0085 | 6.7 | (2,-1,1) |
| 29.72 | 3.0061 | 1.4 | (3,2,3) |
| 30.41 | 2.9389 | 19.7 | (0,0,4) |
| 30.46 | 2.9345 | 13.9 | (3,1,3) |
| 31.59 | 2.8320 | 5.6 | (3,2,1) |
| 31.63 | 2.8284 | 5.0 | (2,-1,2) |
| 33.71 | 2.6587 | 4.5 | (3,0,1) |
| 34.36 | 2.6100 | 3.4 | (3,3,2) |
| 34.42 | 2.6053 | 6.6 | (3,3,4) |
| 35.19 | 2.5502 | 3.5 | (2,-1,-2) |
| 35.22 | 2.5483 | 1.0 | (2,-1,3) |
| 35.28 | 2.5439 | 2.8 | (3,2,5) |
| 35.43 | 2.5334 | 5.0 | (3,0,0) |
| 35.48 | 2.5302 | 6.1 | (3,0,3) |
| 37.44 | 2.4022 | 6.7 | (3,1,-1) |
| 37.87 | 2.3756 | 36.9 | (2,2,-2) |
| 37.91 | 2.3735 | 39.2 | (2,0,-3) |
Energy Properties
Formation Energy/atom
-0.26062
eV/atom
Energy/atom
-36.85390
eV/atom
Energy above Hull
0.0196
eV/atom
Uncorrected Energy
-4.8354
eV/atom
Volume/atom
19.87
ų
c/a Ratio
1.5331
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0072
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pd · 0.591
Element Family
N/A
Solute Fraction
0.409
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.649
Family
Binary Alloy
Matrix Element
Pd · 0.591
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30826
Reference Citation
The crystal structure and related material properties of Pd13Pb9 were obtained from the Materials Project database (MP-ID: mp-30826, 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_Pd13Pb9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.26511641
_cell_length_b 9.26511641
_cell_length_c 14.20450356
_cell_angle_alpha 60.91879950
_cell_angle_beta 60.91879950
_cell_angle_gamma 60.02327712
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pd13Pb9
_chemical_formula_sum 'Pd26 Pb18'
_cell_volume 874.14798158
_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
Pd Pd0 1 0.26376000 0.50015200 0.50031400 1.0
Pd Pd1 1 0.98004800 0.25618300 0.00556700 1.0
Pd Pd2 1 0.39665700 0.65589000 0.85967400 1.0
Pd Pd3 1 0.49984800 0.73624000 0.99968600 1.0
Pd Pd4 1 0.90200300 0.65688200 0.86981200 1.0
Pd Pd5 1 0.13317800 0.90081300 0.37489000 1.0
Pd Pd6 1 0.50015200 0.26376000 0.00031400 1.0
Pd Pd7 1 0.34311800 0.09799700 0.63018800 1.0
Pd Pd8 1 0.34411000 0.60334300 0.64032600 1.0
Pd Pd9 1 0.90081300 0.13317800 0.87489000 1.0
Pd Pd10 1 0.09799700 0.34311800 0.13018800 1.0
Pd Pd11 1 0.86682200 0.09918700 0.62511000 1.0
Pd Pd12 1 0.87708000 0.62374500 0.24935500 1.0
Pd Pd13 1 0.25618300 0.98004800 0.50556700 1.0
Pd Pd14 1 0.37625500 0.12292000 0.25064500 1.0
Pd Pd15 1 0.65589000 0.39665700 0.35967400 1.0
Pd Pd16 1 0.65688200 0.90200300 0.36981200 1.0
Pd Pd17 1 0.62374500 0.87708000 0.74935500 1.0
Pd Pd18 1 0.74381700 0.01995200 0.49443300 1.0
Pd Pd19 1 0.37518100 0.62481900 0.25000000 1.0
Pd Pd20 1 0.73624000 0.49984800 0.49968600 1.0
Pd Pd21 1 0.12292000 0.37625500 0.75064500 1.0
Pd Pd22 1 0.60334300 0.34411000 0.14032600 1.0
Pd Pd23 1 0.01995200 0.74381700 0.99443300 1.0
Pd Pd24 1 0.62481900 0.37518100 0.75000000 1.0
Pd Pd25 1 0.09918700 0.86682200 0.12511000 1.0
Pb Pb26 1 0.42042800 0.24560800 0.38673300 1.0
Pb Pb27 1 0.24560800 0.42042800 0.88673300 1.0
Pb Pb28 1 0.99276100 0.75002900 0.61840400 1.0
Pb Pb29 1 0.00723900 0.24997100 0.38159600 1.0
Pb Pb30 1 0.24997100 0.00723900 0.88159600 1.0
Pb Pb31 1 0.47312400 0.72801100 0.38368300 1.0
Pb Pb32 1 0.67165300 0.00856300 0.87486000 1.0
Pb Pb33 1 0.87626700 0.12373300 0.25000000 1.0
Pb Pb34 1 0.75002900 0.99276100 0.11840400 1.0
Pb Pb35 1 0.00856300 0.67165300 0.37486000 1.0
Pb Pb36 1 0.27198900 0.52687600 0.11631700 1.0
Pb Pb37 1 0.52687600 0.27198900 0.61631700 1.0
Pb Pb38 1 0.32834700 0.99143700 0.12514000 1.0
Pb Pb39 1 0.75439200 0.57957200 0.11326700 1.0
Pb Pb40 1 0.72801100 0.47312400 0.88368300 1.0
Pb Pb41 1 0.57957200 0.75439200 0.61326700 1.0
Pb Pb42 1 0.99143700 0.32834700 0.62514000 1.0
Pb Pb43 1 0.12373300 0.87626700 0.75000000 1.0
