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Al3Pd2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10901 · Space group: P-3m1 (#164)

Basic Information

Formula
Al3Pd2
MP-ID
mp-10901
Elements
2
Sites
5
Density
6.1383
g/cm³
Volume
79.47
ų
Cell a
4.2122
Å
Cell b
4.2122
Å
Cell c
5.1724
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal P
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
17.14 5.1724 77.9 (0,0,0,1)
24.40 3.6478 61.2 (1,0,-1,0)
24.40 3.6478 30.6 (1,-1,0,0)
29.97 2.9811 16.4 (0,1,-1,1)
29.97 2.9811 100.0 (1,0,-1,1)
29.97 2.9811 16.4 (1,-1,0,1)
34.69 2.5862 5.2 (0,0,0,2)
42.87 2.1098 97.9 (1,0,-1,-2)
42.87 2.1098 22.9 (1,0,-1,2)
42.87 2.1098 11.5 (0,1,-1,-2)
42.87 2.1098 49.0 (1,-1,0,2)
42.94 2.1061 49.9 (1,1,-2,0)
42.94 2.1061 99.8 (2,-1,-1,0)
46.56 1.9506 11.5 (1,1,-2,1)
46.56 1.9506 5.8 (1,-2,1,-1)
46.56 1.9506 5.8 (2,-1,-1,-1)
46.56 1.9506 11.5 (2,-1,-1,1)
50.01 1.8239 4.2 (0,2,-2,0)
50.01 1.8239 4.2 (2,0,-2,0)
50.01 1.8239 4.2 (2,-2,0,0)
53.12 1.7241 5.6 (0,0,0,3)
53.25 1.7201 11.1 (2,0,-2,-1)
53.25 1.7201 6.3 (2,0,-2,1)
53.25 1.7201 3.2 (2,-2,0,-1)
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Energy Properties

Formation Energy/atom
-0.81234
eV/atom
Energy/atom
-14.03578
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.0358
eV/atom
Volume/atom
15.89
ų
c/a Ratio
1.2280

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

KVRH
127.891
GPa
GVRH
63.127
GPa
Young's Modulus E
162.624
GPa
Poisson Ratio ν
0.288
Pugh Ratio K/G
2.026
Vickers Hardness Est.
6.895
GPa
Ductility
Brittle
Anisotropy
0.261
Lame λ
85.806
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.832
Family
Al-based Alloy
Matrix Element
Al · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2610
Homogeneous Poisson ν
0.2880
Debye Temperature
423.4
K
Sound Velocity
3,576.7
m/s
Homogeneity
0.2880

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-10901
Reference Citation

The crystal structure and related material properties of Al3Pd2 were obtained from the Materials Project database (MP-ID: mp-10901, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Al3Pd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21215347
_cell_length_b   4.21215360
_cell_length_c   5.17238445
_cell_angle_alpha   89.99997111
_cell_angle_beta   90.00002479
_cell_angle_gamma   119.99995553
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Pd2
_chemical_formula_sum   'Al3 Pd2'
_cell_volume   79.47490367
_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
  Al  Al0  1  -0.00000000  0.00000000  -0.00000000  1.0
  Al  Al1  1  0.33333300  0.66666700  0.64492892  1.0
  Al  Al2  1  0.66666700  0.33333300  0.35507108  1.0
  Pd  Pd3  1  0.33333300  0.66666700  0.15687250  1.0
  Pd  Pd4  1  0.66666700  0.33333300  0.84312750  1.0
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