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Al2Ru

Elasticity Data ELA

MP-ID: mp-10910 · Space group: Fddd (#70)

Basic Information

Formula
Al2Ru
MP-ID
mp-10910
Elements
2
Sites
6
Density
6.2457
g/cm³
Volume
82.44
ų
Cell a
4.6317
Å
Cell b
4.6317
Å
Cell c
4.9819
Å
α Angle
103.88
°
β Angle
103.88
°
γ Angle
118.95
°
Space Group
Fddd
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic F
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
24.18 3.6800 100.0 (1,0,-1)
24.18 3.6800 33.3 (0,1,0)
30.27 2.9531 34.1 (1,-1,1)
30.27 2.9531 34.1 (1,-1,-1)
37.91 2.3733 20.4 (1,0,-2)
37.91 2.3733 10.2 (1,0,1)
37.91 2.3733 10.2 (0,1,1)
40.28 2.2390 35.3 (2,-1,0)
40.28 2.2390 70.5 (2,-1,-1)
40.28 2.2390 35.3 (1,-2,0)
41.11 2.1958 66.6 (0,0,2)
43.65 2.0737 55.9 (1,1,-2)
43.65 2.0737 55.9 (1,1,0)
44.72 2.0265 11.5 (2,0,-1)
44.72 2.0265 11.5 (0,2,-1)
45.47 1.9949 13.4 (2,-2,0)
50.24 1.8161 18.3 (1,-2,2)
50.24 1.8161 36.7 (2,-1,1)
50.24 1.8161 18.3 (1,-2,-1)
57.15 1.6117 3.0 (0,1,-3)
57.15 1.6117 3.0 (1,0,-3)
57.15 1.6117 3.0 (1,0,2)
57.15 1.6117 3.0 (0,1,2)
61.14 1.5158 2.5 (2,1,-2)
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Energy Properties

Formation Energy/atom
-0.78110
eV/atom
Energy/atom
-13.74401
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.7440
eV/atom
Volume/atom
13.74
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.086
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
166.651
GPa
GVRH
103.353
GPa
Young's Modulus E
256.942
GPa
Poisson Ratio ν
0.243
Pugh Ratio K/G
1.612
Vickers Hardness Est.
14.245
GPa
Ductility
Ductile
Anisotropy
0.258
Lame λ
97.749
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.667
Element Family
PostTransition-Noble
Solute Fraction
0.333
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2580
Homogeneous Poisson ν
0.2430
Debye Temperature
560.8
K
Sound Velocity
4,512.5
m/s
Homogeneity
0.2430

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-10910
Reference Citation

The crystal structure and related material properties of Al2Ru were obtained from the Materials Project database (MP-ID: mp-10910, 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_Al2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63173266
_cell_length_b   4.63173115
_cell_length_c   4.98193129
_cell_angle_alpha   103.87669970
_cell_angle_beta   103.87668237
_cell_angle_gamma   118.95137988
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ru
_chemical_formula_sum   'Al4 Ru2'
_cell_volume   82.43763621
_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  0.79593897  0.20406103  0.75000000  1.0
  Al  Al1  1  0.45406103  0.54593897  0.75000000  1.0
  Al  Al2  1  0.20406103  0.79593897  0.25000000  1.0
  Al  Al3  1  0.54593897  0.45406103  0.25000000  1.0
  Ru  Ru4  1  0.12500000  0.87500000  0.75000000  1.0
  Ru  Ru5  1  0.87500000  0.12500000  0.25000000  1.0
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