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Re3Tc

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-974411 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
Re3Tc
MP-ID
mp-974411
Elements
2
Sites
8
Density
18.5746
g/cm³
Volume
117.40
ų
Cell a
5.5140
Å
Cell b
5.5140
Å
Cell c
4.4588
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 16)
2θd (Å)Ihkl
18.58 4.7752 2.2 (1,0,-1,0)
27.37 3.2590 5.2 (1,0,-1,1)
32.48 2.7570 2.3 (2,-1,-1,0)
37.67 2.3876 8.0 (0,2,-2,0)
37.67 2.3876 16.0 (2,0,-2,0)
40.46 2.2294 26.3 (0,0,0,2)
42.97 2.1048 100.0 (2,0,-2,1)
54.88 1.6730 1.1 (3,-1,-2,1)
56.47 1.6295 15.0 (2,0,-2,2)
68.01 1.3785 17.2 (4,-2,-2,0)
75.32 1.2618 6.4 (0,2,-2,3)
75.32 1.2618 12.9 (2,0,-2,3)
80.45 1.1938 1.8 (4,0,-4,0)
82.22 1.1725 20.6 (4,-2,-2,2)
83.90 1.1532 14.8 (4,0,-4,1)
87.51 1.1147 3.0 (0,0,0,4)
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Energy Properties

Formation Energy/atom
0.00166
eV/atom
Energy/atom
-45.79747
eV/atom
Energy above Hull
0.0052
eV/atom
Uncorrected Energy
-45.7975
eV/atom
Volume/atom
14.68
ų
c/a Ratio
0.8086

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
348.896
GPa
GVRH
170.331
GPa
Young's Modulus E
439.476
GPa
Poisson Ratio ν
0.290
Pugh Ratio K/G
2.048
Vickers Hardness Est.
14.458
GPa
Ductility
Brittle
Anisotropy
0.084
Lame λ
235.342
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
0.638
Family
Binary Alloy
Matrix Element
Re · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0840
Homogeneous Poisson ν
0.2900
Debye Temperature
433.4
K
Sound Velocity
3,378.2
m/s
Homogeneity
0.2900

Related Tasks

Related computation task IDs (5)
aaadofmp aaadukrw aaaelftg aaaeqdsa aaafbets

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-974411
Reference Citation

The crystal structure and related material properties of Re3Tc were obtained from the Materials Project database (MP-ID: mp-974411, 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_Re3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51397454
_cell_length_b   5.51397504
_cell_length_c   4.45877085
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999703
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Tc
_chemical_formula_sum   'Re6 Tc2'
_cell_volume   117.40196067
_cell_formula_units_Z   2
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  0.16651956  0.33304012  0.25000000  1.0
  Re  Re1  1  0.66695888  0.83347944  0.25000000  1.0
  Re  Re2  1  0.16652056  0.83347944  0.25000000  1.0
  Re  Re3  1  0.83348144  0.66695888  0.75000100  1.0
  Re  Re4  1  0.33304212  0.16651956  0.75000100  1.0
  Re  Re5  1  0.83348044  0.16651956  0.75000100  1.0
  Tc  Tc6  1  0.33333300  0.66666600  0.75000100  1.0
  Tc  Tc7  1  0.66666800  0.33333300  0.25000000  1.0
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