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Yb4Si10RuPt5

High-Entropy Materials HEA

MP-ID: mp-3296985 · Space group: I222 (#23)

Basic Information

Formula
Yb4Si10RuPt5
MP-ID
mp-3296985
Elements
4
Sites
20
Density
10.1838
g/cm³
Volume
334.18
ų
Cell a
8.1830
Å
Cell b
8.1830
Å
Cell c
8.1830
Å
α Angle
138.84
°
β Angle
104.37
°
γ Angle
89.94
°
Space Group
I222
Point Group
222
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
Yes
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.67 7.5829 4.1 (1,0,0)
11.67 7.5829 4.1 (0,1,-1)
15.30 5.7893 1.6 (1,1,-1)
17.21 5.1519 2.1 (1,0,-1)
17.68 5.0171 2.4 (1,-1,1)
23.46 3.7915 9.8 (2,0,0)
23.54 3.7801 1.9 (2,0,-1)
23.54 3.7801 1.9 (1,1,0)
24.71 3.6023 62.0 (2,1,-1)
24.77 3.5943 20.0 (2,-1,0)
24.77 3.5943 20.0 (1,0,1)
27.76 3.2133 35.2 (2,-1,1)
30.89 2.8947 39.6 (2,2,-2)
31.09 2.8764 41.8 (1,-1,-1)
33.17 2.7010 2.5 (3,0,-1)
33.17 2.7010 2.5 (2,1,0)
33.32 2.6894 22.9 (2,-1,-1)
33.32 2.6894 22.9 (0,1,1)
34.68 2.5868 43.7 (3,-1,0)
34.68 2.5868 43.7 (1,-3,2)
34.68 2.5868 87.3 (2,0,1)
34.83 2.5760 4.0 (2,0,-2)
34.83 2.5760 4.0 (0,2,0)
35.52 2.5276 5.4 (3,0,0)
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Energy Properties

Formation Energy/atom
-0.97666
eV/atom
Energy/atom
-26.81257
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.8126
eV/atom
Volume/atom
16.71
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
0.2876
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.000860
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
1.1648
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6843
J/mol·K
Ω Parameter
1.6365
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.337%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4076
smaller = more stable mixing
VEC
7.700
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-10.081
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8402
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3296985
Reference Citation

The crystal structure and related material properties of Yb4Si10RuPt5 were obtained from the Materials Project database (MP-ID: mp-3296985, 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_Yb4Si10RuPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18296590
_cell_length_b   8.18296549
_cell_length_c   8.18296335
_cell_angle_alpha   138.84059851
_cell_angle_beta   104.37017205
_cell_angle_gamma   89.93887665
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb4Si10RuPt5
_chemical_formula_sum   'Yb4 Si10 Ru1 Pt5'
_cell_volume   334.18471470
_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
  Yb  Yb0  1  0.10085498  0.87039453  0.23187369  1.0
  Yb  Yb1  1  0.89914502  0.13101971  0.76953955  1.0
  Yb  Yb2  1  0.63852084  0.36898029  0.26812631  1.0
  Yb  Yb3  1  0.36148016  0.62960547  0.73046045  1.0
  Si  Si4  1  0.00000000  0.75000000  0.75000000  1.0
  Si  Si5  1  0.00000000  0.25000000  0.25000000  1.0
  Si  Si6  1  0.27346587  0.02346587  0.75000000  1.0
  Si  Si7  1  0.72653413  0.47653413  0.75000000  1.0
  Si  Si8  1  0.72427396  0.97427396  0.25000000  1.0
  Si  Si9  1  0.27572604  0.52572604  0.25000000  1.0
  Si  Si10  1  0.75826229  0.61557579  0.15894511  1.0
  Si  Si11  1  0.24173771  0.40068382  0.85731350  1.0
  Si  Si12  1  0.45663068  0.09931618  0.34105489  1.0
  Si  Si13  1  0.54336932  0.88442421  0.64268650  1.0
  Ru  Ru14  1  0.50000000  0.75000000  0.25000000  1.0
  Pt  Pt15  1  0.50000000  0.25000000  0.75000000  1.0
  Pt  Pt16  1  0.02244538  0.63699712  0.38244409  1.0
  Pt  Pt17  1  0.97755562  0.35999872  0.61455175  1.0
  Pt  Pt18  1  0.25455303  0.14000128  0.11755591  1.0
  Pt  Pt19  1  0.74544697  0.86300288  0.88544825  1.0
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