Re3Ru
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-974455 · Space group: Imm2 (#44)
Basic Information
Formula
Re3Ru
MP-ID
mp-974455
Elements
2
Sites
4
Density
18.9073
g/cm³
Volume
57.94
ų
Cell a
5.2019
Å
Cell b
5.2019
Å
Cell c
5.2019
Å
α Angle
64.11
°
β Angle
149.44
°
γ Angle
125.14
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oI
Stability
Yes
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 |
|---|---|---|---|
| 20.14 | 4.4088 | 3.4 | (1,-1,-1) |
| 21.10 | 4.2110 | 5.9 | (0,1,0) |
| 34.25 | 2.6182 | 2.1 | (0,0,1) |
| 35.84 | 2.5056 | 2.0 | (1,-2,-1) |
| 37.53 | 2.3964 | 11.9 | (1,1,-1) |
| 37.80 | 2.3800 | 26.7 | (1,0,0) |
| 40.94 | 2.2044 | 39.2 | (2,-2,-2) |
| 42.96 | 2.1055 | 53.2 | (0,2,0) |
| 43.20 | 2.0943 | 100.0 | (0,1,1) |
| 51.71 | 1.7678 | 1.2 | (1,1,0) |
| 56.74 | 1.6224 | 7.2 | (1,-3,-1) |
| 56.94 | 1.6172 | 16.5 | (1,-2,-2) |
| 60.18 | 1.5377 | 1.0 | (0,2,1) |
| 67.90 | 1.3804 | 17.7 | (2,1,-1) |
| 68.43 | 1.3709 | 8.7 | (1,-1,1) |
| 75.96 | 1.2528 | 10.0 | (2,-4,-2) |
| 76.13 | 1.2504 | 19.0 | (2,-3,-3) |
| 80.09 | 1.1982 | 1.8 | (2,2,-2) |
| 80.76 | 1.1900 | 2.6 | (2,0,0) |
| 82.44 | 1.1699 | 21.0 | (0,3,1) |
| 82.94 | 1.1642 | 10.4 | (1,-1,-3) |
| 83.63 | 1.1563 | 7.2 | (1,3,-1) |
| 84.29 | 1.1489 | 15.6 | (1,1,1) |
| 88.76 | 1.1022 | 4.5 | (4,-4,-4) |
Energy Properties
Formation Energy/atom
-0.05612
eV/atom
Energy/atom
-45.72021
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-45.7202
eV/atom
Volume/atom
14.48
ų
c/a Ratio
1.0000
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
352.990
GPa
GVRH
193.100
GPa
Young's Modulus E
489.958
GPa
Poisson Ratio ν
0.269
Pugh Ratio K/G
1.828
Vickers Hardness Est.
18.463
GPa
Ductility
Brittle
Anisotropy
0.037
Lame λ
224.257
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Re · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.721
Family
Binary Alloy
Matrix Element
Re · 0.750
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0370
Homogeneous Poisson ν
0.2690
Debye Temperature
434.2
K
Sound Velocity
3,555.8
m/s
Homogeneity
0.2690
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-974455
Reference Citation
The crystal structure and related material properties of Re3Ru were obtained from the Materials Project database (MP-ID: mp-974455, 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
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Re3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20187938
_cell_length_b 5.20187938
_cell_length_c 5.20187938
_cell_angle_alpha 64.11137092
_cell_angle_beta 149.43873218
_cell_angle_gamma 125.13726897
_symmetry_Int_Tables_number 1
_chemical_formula_structural Re3Ru
_chemical_formula_sum 'Re3 Ru1'
_cell_volume 57.93755096
_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
Re Re0 1 0.67183070 0.17183270 0.49999900 1.0
Re Re1 1 0.99827302 0.24995174 0.25167672 1.0
Re Re2 1 0.99827302 0.74659431 0.74832128 1.0
Ru Ru3 1 0.66502225 0.66502225 0.00000000 1.0
