Al2Ru
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1009834 · Space group: I4/mmm (#139)
Basic Information
Formula
Al2Ru
MP-ID
mp-1009834
Elements
2
Sites
3
Density
6.2608
g/cm³
Volume
41.12
ų
Cell a
3.1208
Å
Cell b
3.1208
Å
Cell c
4.7638
Å
α Angle
109.12
°
β Angle
109.12
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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 |
|---|---|---|---|
| 21.04 | 4.2218 | 75.1 | (0,0,1) |
| 30.54 | 2.9273 | 99.3 | (1,0,0) |
| 40.89 | 2.2068 | 100.0 | (1,-1,0) |
| 42.84 | 2.1109 | 8.2 | (0,0,2) |
| 43.29 | 2.0901 | 84.1 | (1,0,1) |
| 43.29 | 2.0901 | 84.1 | (1,0,-2) |
| 46.43 | 1.9557 | 9.1 | (1,1,0) |
| 46.43 | 1.9557 | 18.3 | (1,-1,1) |
| 46.43 | 1.9557 | 9.1 | (1,1,-2) |
| 59.21 | 1.5604 | 32.9 | (2,0,-1) |
| 60.71 | 1.5254 | 2.9 | (1,1,1) |
| 60.71 | 1.5254 | 5.7 | (1,-1,2) |
| 60.71 | 1.5254 | 2.9 | (1,1,-3) |
| 62.54 | 1.4852 | 8.7 | (1,0,2) |
| 62.54 | 1.4852 | 8.7 | (1,0,-3) |
| 63.57 | 1.4637 | 7.0 | (2,0,0) |
| 63.57 | 1.4637 | 7.0 | (2,0,-2) |
| 66.43 | 1.4073 | 11.2 | (0,0,3) |
| 68.09 | 1.3770 | 4.7 | (2,1,-1) |
| 68.09 | 1.3770 | 9.5 | (2,-1,0) |
| 68.09 | 1.3770 | 4.7 | (2,1,-2) |
| 75.81 | 1.2548 | 2.9 | (2,0,1) |
| 75.81 | 1.2548 | 2.9 | (2,0,-3) |
| 76.13 | 1.2504 | 15.4 | (2,1,0) |
Energy Properties
Formation Energy/atom
-0.76137
eV/atom
Energy/atom
-13.72428
eV/atom
Energy above Hull
0.0197
eV/atom
Uncorrected Energy
-13.7243
eV/atom
Volume/atom
13.71
ų
c/a Ratio
1.5264
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
168.314
GPa
GVRH
122.506
GPa
Young's Modulus E
295.762
GPa
Poisson Ratio ν
0.207
Pugh Ratio K/G
1.374
Vickers Hardness Est.
19.971
GPa
Ductility
Ductile
Anisotropy
0.394
Lame λ
86.643
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.854
Family
Al-based Alloy
Matrix Element
Al · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.3940
Homogeneous Poisson ν
0.2070
Debye Temperature
607.8
K
Sound Velocity
4,887.2
m/s
Homogeneity
0.2070
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009834
Reference Citation
The crystal structure and related material properties of Al2Ru were obtained from the Materials Project database (MP-ID: mp-1009834, 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_Al2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12084324
_cell_length_b 3.12084324
_cell_length_c 4.76376577
_cell_angle_alpha 109.12075693
_cell_angle_beta 109.12075693
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al2Ru
_chemical_formula_sum 'Al2 Ru1'
_cell_volume 41.11896171
_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 0.65920169 0.65920169 0.31840437 1.0
Al Al1 1 0.34079831 0.34079831 0.68159563 1.0
Ru Ru2 1 0.00000000 -0.00000000 0.00000000 1.0
