Re
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-975065 · Space group: R-3m (#166)
Basic Information
Formula
Re
MP-ID
mp-975065
Elements
1
Sites
3
Density
20.8768
g/cm³
Volume
44.43
ų
Cell a
2.7669
Å
Cell b
2.7669
Å
Cell c
6.8852
Å
α Angle
78.45
°
β Angle
101.55
°
γ Angle
119.96
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hR
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 |
|---|---|---|---|
| 37.79 | 2.3805 | 21.5 | (0,1,0) |
| 37.79 | 2.3805 | 21.5 | (1,0,0) |
| 37.82 | 2.3786 | 21.6 | (1,-1,-1) |
| 38.61 | 2.3316 | 17.3 | (1,0,-1) |
| 38.63 | 2.3308 | 8.6 | (1,-1,0) |
| 40.40 | 2.2329 | 88.9 | (0,0,3) |
| 41.74 | 2.1639 | 57.8 | (0,1,-1) |
| 41.74 | 2.1639 | 57.8 | (1,0,1) |
| 41.79 | 2.1618 | 57.5 | (1,-1,-2) |
| 43.99 | 2.0585 | 49.9 | (1,-1,1) |
| 43.99 | 2.0585 | 100.0 | (1,0,-2) |
| 49.53 | 1.8404 | 4.3 | (0,1,-2) |
| 49.53 | 1.8404 | 4.3 | (1,0,2) |
| 49.58 | 1.8387 | 4.3 | (1,-1,-3) |
| 52.78 | 1.7343 | 8.3 | (1,-1,2) |
| 52.80 | 1.7339 | 16.5 | (1,0,-3) |
| 60.06 | 1.5404 | 5.7 | (0,1,-3) |
| 60.06 | 1.5404 | 5.7 | (1,0,3) |
| 60.12 | 1.5391 | 5.7 | (1,-1,-4) |
| 64.08 | 1.4532 | 2.0 | (1,-1,3) |
| 64.10 | 1.4528 | 4.0 | (1,0,-4) |
| 67.68 | 1.3844 | 19.7 | (1,1,0) |
| 67.73 | 1.3835 | 19.7 | (1,-2,-1) |
| 67.73 | 1.3835 | 19.7 | (2,-1,-1) |
Energy Properties
Formation Energy/atom
0.01106
eV/atom
Energy/atom
-52.39956
eV/atom
Energy above Hull
0.0111
eV/atom
Uncorrected Energy
-52.3996
eV/atom
Volume/atom
14.81
ų
c/a Ratio
2.4884
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0001
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
365.253
GPa
GVRH
182.644
GPa
Young's Modulus E
469.650
GPa
Poisson Ratio ν
0.286
Pugh Ratio K/G
2.000
Vickers Hardness Est.
15.703
GPa
Ductility
Brittle
Anisotropy
0.127
Lame λ
243.490
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Re · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.565
Family
Pure Metal
Matrix Element
Re · 1.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1270
Homogeneous Poisson ν
0.2860
Debye Temperature
399.7
K
Sound Velocity
3,297.9
m/s
Homogeneity
0.2860
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-975065
Reference Citation
The crystal structure and related material properties of Re were obtained from the Materials Project database (MP-ID: mp-975065, 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_Re
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.76691569
_cell_length_b 2.76691620
_cell_length_c 6.88518519
_cell_angle_alpha 78.45146800
_cell_angle_beta 101.54853414
_cell_angle_gamma 119.95550966
_symmetry_Int_Tables_number 1
_chemical_formula_structural Re
_chemical_formula_sum Re3
_cell_volume 44.43258013
_cell_formula_units_Z 3
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 0.00000000 0.00000000 0.00000000 1.0
Re Re1 1 0.77773997 0.22225903 0.33347835 1.0
Re Re2 1 0.22225803 0.77774097 0.66652065 1.0
