YbCo2(Sn3Ru)2

High-Entropy Materials HEA

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

Materials Project API

Basic Information

Formula

YbCo2(Sn3Ru)2

MP-ID

mp-3251393

Elements

Sites

Density

9.1697

g/cm³

Volume

218.27

Å³

Cell a

6.7164

Cell b

6.7164

Cell c

6.8043

α Angle

120.05

β Angle

120.05

γ Angle

89.17

Space Group

Fmm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
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

Å³

c/a Ratio

1.0131

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

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

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcztp

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

3D Crystal Structure Rendering

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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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