Yb2InSn

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-981234 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Yb2InSn

MP-ID

mp-981234

Elements

Sites

Density

9.4501

g/cm³

Volume

101.85

Å³

Cell a

5.2419

Cell b

5.2419

Cell c

5.2419

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 8)

2θ	d (Å)	I	hkl
24.01	3.7066	3.8	(1,1,0)
34.21	2.6209	100.0	(2,1,1)
42.23	2.1400	1.2	(2,2,2)
49.16	1.8533	18.1	(2,2,0)
55.43	1.6576	1.6	(3,2,1)
61.26	1.5132	37.5	(3,3,2)
72.07	1.3105	11.6	(4,2,2)
82.25	1.1721	16.6	(4,3,1)

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Energy Properties

Formation Energy/atom

-0.52709

eV/atom

Energy/atom

-30.62297

eV/atom

Energy above Hull

0.1073

eV/atom

Uncorrected Energy

-30.6230

eV/atom

Volume/atom

25.46

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

35.777

GPa

G_VRH

16.544

GPa

Young's Modulus E

43.003

GPa

Poisson Ratio ν

0.300

Pugh Ratio K/G

2.163

Vickers Hardness Est.

1.188

GPa

Ductility

Brittle

Anisotropy

4.409

Lame λ

24.748

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Yb · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

27.0461

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.867%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3902

smaller = more stable mixing

VEC

8.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.250

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.437

Family

Yb-rich Multi-Component

Matrix Element

Yb · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

4.4090

Homogeneous Poisson ν

0.3000

Debye Temperature

202.4

Sound Velocity

1,477.8

m/s

Homogeneity

0.3000

Related Tasks

Related computation task IDs (5)

aaadmfsl aaadustm aaaeouvh aaafcijl aaahazwq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-981234

Reference Citation

The crystal structure and related material properties of Yb2InSn were obtained from the Materials Project database (MP-ID: mp-981234, 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_Yb2InSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24187596
_cell_length_b   5.24187596
_cell_length_c   5.24187596
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2InSn
_chemical_formula_sum   'Yb2 In1 Sn1'
_cell_volume   101.84629182
_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  0.25000000  0.25000000  0.25000000  1.0
  Yb  Yb1  1  0.75000000  0.75000000  0.75000000  1.0
  In  In2  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn3  1  0.00000000  0.00000000  0.00000000  1.0

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