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Tm2Si5Os3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3291763 · Space group: C2/c (#15)

Basic Information

Formula
Tm2Si5Os3
MP-ID
mp-3291763
Elements
3
Sites
20
Density
10.7227
g/cm³
Volume
324.90
ų
Cell a
8.0615
Å
Cell b
8.0615
Å
Cell c
5.7367
Å
α Angle
70.70
°
β Angle
70.70
°
γ Angle
94.29
°
Space Group
C2/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
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
14.99 5.9098 2.5 (1,-1,0)
17.19 5.1572 1.8 (1,0,1)
23.79 3.7396 7.3 (2,0,1)
23.91 3.7219 16.1 (2,0,0)
24.43 3.6439 100.0 (2,-1,0)
24.88 3.5791 30.1 (1,0,-1)
25.86 3.4454 13.2 (2,1,1)
28.95 3.0838 25.4 (2,1,0)
30.25 2.9549 34.4 (2,-2,0)
31.21 2.8658 33.7 (1,1,2)
32.95 2.7183 2.1 (2,-1,-1)
33.12 2.7045 17.7 (1,0,2)
33.89 2.6454 44.9 (2,1,2)
34.79 2.5786 16.6 (2,0,2)
35.03 2.5612 45.2 (2,0,-1)
35.03 2.5612 45.2 (0,2,-1)
35.70 2.5151 26.8 (3,-1,0)
35.70 2.5151 26.8 (1,-3,0)
35.82 2.5067 48.3 (0,0,2)
36.12 2.4868 50.9 (3,1,1)
36.12 2.4868 50.9 (1,3,1)
37.24 2.4148 14.1 (2,2,2)
37.54 2.3958 5.9 (2,2,0)
39.03 2.3077 2.8 (1,-1,2)
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Energy Properties

Formation Energy/atom
-0.78148
eV/atom
Energy/atom
-28.08814
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.0881
eV/atom
Volume/atom
16.24
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
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.500

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0297
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5605
J/mol·K
Ω Parameter
10.4004
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.367%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3315
smaller = more stable mixing
VEC
7.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.810
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9372
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.480
Family
Interstitial Alloy
Matrix Element
Si · 0.500

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3291763
Reference Citation

The crystal structure and related material properties of Tm2Si5Os3 were obtained from the Materials Project database (MP-ID: mp-3291763, 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_Tm2Si5Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06145891
_cell_length_b   8.06145813
_cell_length_c   5.73670633
_cell_angle_alpha   70.69554668
_cell_angle_beta   70.69554564
_cell_angle_gamma   94.29217048
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2Si5Os3
_chemical_formula_sum   'Tm4 Si10 Os6'
_cell_volume   324.89516831
_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
  Tm  Tm0  1  0.86884905  0.60053371  0.75355309  1.0
  Tm  Tm1  1  0.39946629  0.13115095  0.74644691  1.0
  Tm  Tm2  1  0.13115095  0.39946629  0.24644691  1.0
  Tm  Tm3  1  0.60053371  0.86884905  0.25355309  1.0
  Si  Si4  1  0.06831271  0.26155477  0.83318160  1.0
  Si  Si5  1  0.73844523  0.93168729  0.66681840  1.0
  Si  Si6  1  0.93168729  0.73844523  0.16681840  1.0
  Si  Si7  1  0.26155477  0.06831271  0.33318160  1.0
  Si  Si8  1  0.20640382  0.79359618  0.75000000  1.0
  Si  Si9  1  0.79359618  0.20640382  0.25000000  1.0
  Si  Si10  1  0.51225795  0.48774205  0.75000000  1.0
  Si  Si11  1  0.48774205  0.51225795  0.25000000  1.0
  Si  Si12  1  0.77485999  0.22514001  0.75000000  1.0
  Si  Si13  1  0.22514001  0.77485999  0.25000000  1.0
  Os  Os14  1  0.25470337  0.54393158  0.63096154  1.0
  Os  Os15  1  0.45606842  0.74529663  0.86903846  1.0
  Os  Os16  1  0.74529663  0.45606842  0.36903846  1.0
  Os  Os17  1  0.54393158  0.25470337  0.13096154  1.0
  Os  Os18  1  0.00297884  0.99702116  0.75000000  1.0
  Os  Os19  1  0.99702116  0.00297884  0.25000000  1.0
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