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Re

Traditional Materials TRA Elasticity Data ELA

MP-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
Trigonal R
Stability
No
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
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)
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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

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_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
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