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Al2Ru

传统材料 TRA 弹性数据 ELA

MP-ID: mp-1009834 · Space group: I4/mmm (#139)

Materials Project API

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)
2θd (Å)Ihkl
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)
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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.
-
GPa
Ductility
Ductile
Anisotropy
0.394
Lame λ
86.643
GPa

Feature Analysis

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.854
Family
Al-based Alloy
Matrix Element
Al · 0.667

Related Tasks

Related computation task IDs (5)
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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

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   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
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