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Al5W

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30337 · Space group: P6_322 (#182)

Basic Information

Formula
Al5W
MP-ID
mp-30337
Elements
2
Sites
12
Density
5.8505
g/cm³
Volume
180.94
ų
Cell a
4.8637
Å
Cell b
4.8637
Å
Cell c
8.8322
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_322
Point Group
622
Crystal System
Hexagonal
Bravais Lattice
Hexagonal 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
20.11 4.4161 31.6 (0,0,0,2)
21.09 4.2121 14.7 (1,-1,0,0)
21.09 4.2121 7.3 (1,0,-1,0)
23.40 3.8019 100.0 (1,0,-1,1)
29.30 3.0480 18.6 (1,0,-1,2)
36.96 2.4319 33.6 (2,-1,-1,0)
37.26 2.4131 30.9 (1,0,-1,3)
38.39 2.3446 7.8 (2,-1,-1,1)
40.87 2.2080 22.3 (0,0,0,4)
42.43 2.1302 30.4 (1,-2,1,2)
42.43 2.1302 60.9 (2,-1,-1,2)
42.94 2.1061 1.1 (0,2,-2,0)
42.94 2.1061 2.2 (2,0,-2,0)
44.21 2.0486 19.3 (2,0,-2,1)
46.43 1.9556 5.8 (1,0,-1,4)
47.85 1.9009 5.5 (2,0,-2,2)
48.56 1.8749 1.3 (1,-2,1,3)
48.56 1.8749 2.6 (2,-1,-1,3)
53.50 1.7129 7.4 (2,-2,0,3)
53.50 1.7129 3.7 (2,0,-2,3)
56.27 1.6347 6.7 (1,-2,1,4)
56.27 1.6347 13.5 (2,-1,-1,4)
56.49 1.6290 9.5 (1,0,-1,5)
57.93 1.5920 1.4 (2,-3,1,0)
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Energy Properties

Formation Energy/atom
-0.18917
eV/atom
Energy/atom
-14.36055
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.3605
eV/atom
Volume/atom
15.08
ų
c/a Ratio
1.8159

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
126.403
GPa
GVRH
102.302
GPa
Young's Modulus E
241.701
GPa
Poisson Ratio ν
0.181
Pugh Ratio K/G
1.236
Vickers Hardness Est.
20.406
GPa
Ductility
Ductile
Anisotropy
0.023
Lame λ
58.202
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.877
Family
Al-based Alloy
Matrix Element
Al · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0230
Homogeneous Poisson ν
0.1810
Debye Temperature
555.1
K
Sound Velocity
4,607.4
m/s
Homogeneity
0.1810

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30337
Reference Citation

The crystal structure and related material properties of Al5W were obtained from the Materials Project database (MP-ID: mp-30337, 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_Al5W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86370942
_cell_length_b   4.86371005
_cell_length_c   8.83217312
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5W
_chemical_formula_sum   'Al10 W2'
_cell_volume   180.93954353
_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
  Al  Al0  1  -0.00000000  -0.00000000  0.00000000  1.0
  Al  Al1  1  -0.00000000  -0.00000000  0.50000000  1.0
  Al  Al2  1  0.33333300  0.66666700  0.00000000  1.0
  Al  Al3  1  0.66666700  0.33333300  0.50000000  1.0
  Al  Al4  1  0.33748744  0.33748744  0.25000000  1.0
  Al  Al5  1  0.00000000  0.33748744  0.75000000  1.0
  Al  Al6  1  0.33748744  -0.00000000  0.75000000  1.0
  Al  Al7  1  0.66251256  0.00000000  0.25000000  1.0
  Al  Al8  1  -0.00000000  0.66251256  0.25000000  1.0
  Al  Al9  1  0.66251256  0.66251256  0.75000000  1.0
  W  W10  1  0.33333300  0.66666700  0.50000000  1.0
  W  W11  1  0.66666700  0.33333300  -0.00000000  1.0
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