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Tb4AlOsRu6

High-Entropy Materials HEA

MP-ID: mp-3250849 · Space group: Amm2 (#38)

Basic Information

Formula
Tb4AlOsRu6
MP-ID
mp-3250849
Elements
4
Sites
12
Density
11.2905
g/cm³
Volume
214.63
ų
Cell a
5.2020
Å
Cell b
5.2020
Å
Cell c
8.9389
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
117.46
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic 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
9.90 8.9389 50.3 (0,0,0,1)
19.23 4.6157 17.9 (1,0,-1,0)
19.97 4.4464 10.1 (1,-1,0,0)
21.67 4.1012 11.0 (1,0,-1,1)
22.33 3.9811 5.0 (1,-1,0,1)
27.78 3.2108 15.5 (1,0,-1,2)
28.31 3.1522 10.7 (1,-1,0,2)
29.99 2.9796 3.3 (0,0,0,3)
33.18 2.7000 47.3 (1,1,-2,0)
34.52 2.5985 42.5 (2,-1,-1,0)
34.52 2.5985 42.5 (1,-2,1,0)
34.71 2.5847 5.9 (1,1,-2,1)
35.87 2.5033 96.2 (1,0,-1,3)
35.87 2.5033 96.2 (0,1,-1,3)
35.99 2.4952 5.2 (2,-1,-1,1)
35.99 2.4952 5.2 (1,-2,1,1)
36.29 2.4753 84.9 (1,-1,0,3)
38.97 2.3111 100.0 (1,1,-2,2)
39.03 2.3079 12.9 (2,0,-2,0)
39.03 2.3079 12.9 (0,2,-2,0)
40.14 2.2464 93.3 (2,-1,-1,2)
40.14 2.2464 93.3 (1,-2,1,2)
40.36 2.2347 39.4 (0,0,0,4)
40.36 2.2346 82.4 (2,0,-2,1)
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Energy Properties

Formation Energy/atom
-0.43708
eV/atom
Energy/atom
-28.53460
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.5346
eV/atom
Volume/atom
17.89
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0077
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ru · 0.500
Element Family
4d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1269
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.3693
J/mol·K
Ω Parameter
12.3054
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.722%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5093
smaller = more stable mixing
VEC
7.917
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.675
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8129
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3250849
Reference Citation

The crystal structure and related material properties of Tb4AlOsRu6 were obtained from the Materials Project database (MP-ID: mp-3250849, 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_Tb4AlOsRu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20198985
_cell_length_b   5.20198828
_cell_length_c   8.93886956
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.46486920
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4AlOsRu6
_chemical_formula_sum   'Tb4 Al1 Os1 Ru6'
_cell_volume   214.62925122
_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
  Tb  Tb0  1  0.32974970  0.67025030  0.43135936  1.0
  Tb  Tb1  1  0.66589339  0.33410661  0.56463907  1.0
  Tb  Tb2  1  0.66589339  0.33410661  0.93536093  1.0
  Tb  Tb3  1  0.32974970  0.67025030  0.06864064  1.0
  Al  Al4  1  0.16492644  0.83507356  0.75000000  1.0
  Os  Os5  1  0.84747173  0.15252827  0.25000000  1.0
  Ru  Ru6  1  0.98948786  0.01051214  0.49933668  1.0
  Ru  Ru7  1  0.98948786  0.01051214  0.00066332  1.0
  Ru  Ru8  1  0.82689908  0.64170710  0.25000000  1.0
  Ru  Ru9  1  0.35829290  0.17310092  0.25000000  1.0
  Ru  Ru10  1  0.17530603  0.34315410  0.75000000  1.0
  Ru  Ru11  1  0.65684590  0.82469397  0.75000000  1.0
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