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Tc5Te8W

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292077 · Space group: P1 (#1)

Basic Information

Formula
Tc5Te8W
MP-ID
mp-3292077
Elements
3
Sites
14
Density
7.8925
g/cm³
Volume
356.54
ų
Cell a
7.1261
Å
Cell b
7.1338
Å
Cell c
7.0692
Å
α Angle
93.66
°
β Angle
94.73
°
γ Angle
93.68
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.46 7.1019 100.0 (0,1,0)
12.49 7.0845 96.0 (1,0,0)
12.60 7.0281 73.0 (0,0,1)
16.98 5.2215 5.3 (1,0,-1)
17.05 5.2007 5.5 (1,-1,0)
17.12 5.1786 2.6 (0,1,-1)
18.30 4.8490 2.0 (1,1,0)
18.37 4.8306 1.3 (0,1,1)
18.54 4.7858 1.0 (1,0,1)
21.39 4.1549 2.2 (1,-1,1)
23.38 3.8056 3.2 (1,1,1)
25.08 3.5510 10.3 (0,2,0)
25.14 3.5422 11.8 (2,0,0)
25.35 3.5140 22.2 (0,0,2)
27.19 3.2798 3.6 (2,0,-1)
27.30 3.2673 5.0 (1,-2,0)
27.33 3.2630 3.5 (1,0,-2)
27.34 3.2622 2.0 (2,-1,0)
27.34 3.2619 2.6 (0,2,-1)
27.53 3.2403 11.1 (0,1,-2)
28.90 3.0892 42.5 (1,2,0)
28.94 3.0849 4.9 (2,1,0)
28.95 3.0843 5.3 (0,2,1)
29.13 3.0661 26.1 (0,1,2)
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Energy Properties

Formation Energy/atom
-0.31042
eV/atom
Energy/atom
-27.77677
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.7768
eV/atom
Volume/atom
25.47
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
1.0005
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.002810
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8760
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2831
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
1.706%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1278
smaller = more stable mixing
VEC
4.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7974
SS Former
1
Phase Tendency
SS

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.522
Family
Te-rich Multi-Component
Matrix Element
Te · 0.571

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3292077
Reference Citation

The crystal structure and related material properties of Tc5Te8W were obtained from the Materials Project database (MP-ID: mp-3292077, 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_Tc5Te8W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12609945
_cell_length_b   7.13383855
_cell_length_c   7.06917111
_cell_angle_alpha   93.65633927
_cell_angle_beta   94.73038574
_cell_angle_gamma   93.68401153
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc5Te8W
_chemical_formula_sum   'Tc5 Te8 W1'
_cell_volume   356.54434931
_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
  Tc  Tc0  1  0.74851820  0.91301882  0.04479119  1.0
  Tc  Tc1  1  0.04515332  0.75018764  0.91330159  1.0
  Tc  Tc2  1  0.08694412  0.95517784  0.25083726  1.0
  Tc  Tc3  1  0.25005739  0.08652134  0.95459109  1.0
  Tc  Tc4  1  0.95380867  0.25213630  0.08664968  1.0
  Te  Te5  1  0.70771342  0.70747095  0.70996056  1.0
  Te  Te6  1  0.28899628  0.28647982  0.29009312  1.0
  Te  Te7  1  0.77776547  0.12088707  0.37703249  1.0
  Te  Te8  1  0.38096334  0.77625216  0.12235476  1.0
  Te  Te9  1  0.11999065  0.38352287  0.77421946  1.0
  Te  Te10  1  0.22977107  0.87627703  0.61921832  1.0
  Te  Te11  1  0.61522793  0.22741180  0.87921771  1.0
  Te  Te12  1  0.88203342  0.62018097  0.22401452  1.0
  W  W13  1  0.91305572  0.04447540  0.75371925  1.0
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