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TmPaTe4

High-Entropy Materials HEA

MP-ID: mp-3253178 · Space group: Imm2 (#44)

Basic Information

Formula
TmPaTe4
MP-ID
mp-3253178
Elements
3
Sites
6
Density
8.3191
g/cm³
Volume
181.71
ų
Cell a
8.0007
Å
Cell b
8.0007
Å
Cell c
8.0007
Å
α Angle
149.94
°
β Angle
134.54
°
γ Angle
55.47
°
Space Group
Imm2
Point Group
-
Crystal System
Orthorhombic
Bravais Lattice
-
Stability
Yes
Packing Fraction
-

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.50 7.0815 1.7 (1,1,-1)
15.64 5.6667 26.9 (1,0,0)
22.32 3.9826 2.3 (0,1,0)
23.71 3.7523 5.8 (2,1,-1)
25.86 3.4459 4.2 (1,-1,0)
28.64 3.1170 100.0 (1,2,-1)
28.81 3.0985 6.5 (2,0,-1)
28.81 3.0985 2.2 (1,1,-2)
28.88 3.0916 12.8 (1,-1,1)
31.58 2.8333 17.8 (2,0,0)
31.58 2.8333 17.8 (0,2,-2)
34.84 2.5752 8.3 (3,2,-2)
34.84 2.5752 8.3 (2,3,-3)
36.38 2.4695 32.5 (3,1,-2)
36.38 2.4695 10.8 (2,2,-3)
36.80 2.4421 14.5 (2,-1,0)
36.80 2.4421 43.5 (1,-2,1)
38.12 2.3605 8.0 (3,3,-3)
38.48 2.3396 2.2 (2,3,-2)
38.66 2.3288 20.5 (3,1,-1)
41.12 2.1950 7.2 (3,0,-1)
41.12 2.1950 2.4 (1,2,-3)
43.62 2.0750 21.6 (1,-1,-1)
44.42 2.0396 1.7 (2,-1,1)
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Energy Properties

Formation Energy/atom
-1.22319
eV/atom
Energy/atom
-36.83085
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-
eV/atom
Volume/atom
-
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
1.0854
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.005970
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8676
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2129
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.630%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3493
smaller = more stable mixing
VEC
5.800
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7897
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3253178
Reference Citation

The crystal structure and related material properties of TmPaTe4 were obtained from the Materials Project database (MP-ID: mp-3253178, 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_TmPaTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.00070500
_cell_length_b   8.00070430
_cell_length_c   8.00070367
_cell_angle_alpha   149.93631741
_cell_angle_beta   134.53692441
_cell_angle_gamma   55.46998529
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmPaTe4
_chemical_formula_sum   'Tm1 Pa1 Te4'
_cell_volume   181.71478701
_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
  Tm  Tm0  1  0.13810124  0.13810124  0.00000000  1.0
  Pa  Pa1  1  0.86439366  0.86439366  1.00000000  1.0
  Te  Te2  1  0.70403024  0.20403024  0.50000000  1.0
  Te  Te3  1  0.29335546  0.79335546  0.50000000  1.0
  Te  Te4  1  0.75291372  0.50006020  0.25285353  1.0
  Te  Te5  1  0.24720667  0.50006020  0.74714647  1.0
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