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YbCo2(Sn3Ru)2

High-Entropy Materials HEA

MP-ID: mp-3251393 · Space group: Fmm2 (#42)

Basic Information

Formula
YbCo2(Sn3Ru)2
MP-ID
mp-3251393
Elements
4
Sites
11
Density
9.1697
g/cm³
Volume
218.27
ų
Cell a
6.7164
Å
Cell b
6.7164
Å
Cell c
6.8043
Å
α Angle
120.05
°
β Angle
120.05
°
γ Angle
89.17
°
Space Group
Fmm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic F
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
16.06 5.5175 3.3 (1,0,-1)
18.33 4.8391 9.6 (0,0,1)
18.55 4.7835 14.1 (1,1,-1)
18.82 4.7147 1.8 (1,-1,0)
26.20 3.4019 1.4 (1,1,0)
26.55 3.3578 8.6 (2,0,-1)
30.75 2.9080 44.3 (1,0,-2)
31.01 2.8837 44.2 (2,1,-2)
31.35 2.8534 72.1 (2,-1,-1)
32.45 2.7587 100.0 (0,2,-2)
32.45 2.7587 33.3 (2,0,-2)
37.16 2.4196 43.0 (0,0,2)
37.61 2.3918 20.3 (2,2,-2)
38.18 2.3573 20.9 (2,-2,0)
40.93 2.2051 56.4 (2,1,-3)
41.19 2.1914 72.1 (2,-1,-2)
41.40 2.1810 37.6 (0,3,-2)
41.40 2.1810 12.5 (3,0,-2)
41.84 2.1591 10.9 (1,1,1)
41.97 2.1526 14.9 (1,-1,2)
42.14 2.1442 35.0 (2,2,-1)
42.38 2.1330 29.0 (3,1,-2)
42.66 2.1193 25.9 (2,-2,1)
42.76 2.1145 8.3 (3,-1,-1)
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Energy Properties

Formation Energy/atom
-0.24059
eV/atom
Energy/atom
-24.08823
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.0882
eV/atom
Volume/atom
19.84
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
0.0004
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
Sn · 0.545
Element Family
PostTransition-Noble
Solute Fraction
0.455
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1685
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.7151
J/mol·K
Ω Parameter
1.6511
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.632%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2765
smaller = more stable mixing
VEC
6.545
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
6.888
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8429
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3251393
Reference Citation

The crystal structure and related material properties of YbCo2(Sn3Ru)2 were obtained from the Materials Project database (MP-ID: mp-3251393, 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_YbCo2(Sn3Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71637779
_cell_length_b   6.71637810
_cell_length_c   6.80433321
_cell_angle_alpha   120.04570179
_cell_angle_beta   120.04569816
_cell_angle_gamma   89.16947285
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbCo2(Sn3Ru)2
_chemical_formula_sum   'Yb1 Co2 Sn6 Ru2'
_cell_volume   218.26880732
_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  0.00633205  0.00633205  0.00000000  1.0
  Co  Co1  1  0.40562329  0.40562329  0.65710185  1.0
  Co  Co2  1  0.74852244  0.74852244  0.34289815  1.0
  Sn  Sn3  1  0.00114187  0.50114187  0.50000000  1.0
  Sn  Sn4  1  0.47091514  0.47091514  0.36373008  1.0
  Sn  Sn5  1  0.53647841  0.87694995  1.00000000  1.0
  Sn  Sn6  1  0.87694995  0.53647841  0.00000000  1.0
  Sn  Sn7  1  0.10718505  0.10718505  0.63626992  1.0
  Sn  Sn8  1  0.50114187  0.00114187  0.50000000  1.0
  Ru  Ru9  1  0.25892794  0.58678099  0.00000000  1.0
  Ru  Ru10  1  0.58678099  0.25892794  1.00000000  1.0
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