Dy2CuOs

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-864959 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Dy2CuOs

MP-ID

mp-864959

Elements

Sites

Density

12.1691

g/cm³

Volume

78.98

Å³

Cell a

4.8159

Cell b

4.8159

Cell c

4.8159

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 10)

2θ	d (Å)	I	hkl
22.61	3.9321	9.7	(1,1,1)
26.17	3.4053	1.6	(1,1,0)
37.35	2.4079	100.0	(2,1,1)
44.10	2.0535	5.3	(2,2,1)
53.84	1.7027	17.4	(2,2,0)
59.13	1.5625	2.4	(3,2,2)
67.36	1.3902	35.4	(3,3,2)
72.05	1.3107	1.8	(3,3,3)
79.63	1.2040	11.1	(4,2,2)
84.08	1.1512	1.9	(4,3,2)

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Energy Properties

Formation Energy/atom

-0.31251

eV/atom

Energy/atom

-32.26142

eV/atom

Energy above Hull

0.0065

eV/atom

Uncorrected Energy

-32.2614

eV/atom

Volume/atom

19.74

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

103.481

GPa

G_VRH

44.291

GPa

Young's Modulus E

116.283

GPa

Poisson Ratio ν

0.313

Pugh Ratio K/G

2.336

Vickers Hardness Est.

3.807

GPa

Ductility

Brittle

Anisotropy

0.065

Lame λ

73.954

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 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

18.1755

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.284%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4283

smaller = more stable mixing

VEC

9.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.954

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.504

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0650

Homogeneous Poisson ν

0.3130

Debye Temperature

309.4

Sound Velocity

2,134.4

m/s

Homogeneity

0.3130

Related Tasks

Related computation task IDs (5)

aaachvyi aaadwngr aaaehhbs aaaeteam aaafxent

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-864959

Reference Citation

The crystal structure and related material properties of Dy2CuOs were obtained from the Materials Project database (MP-ID: mp-864959, 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_Dy2CuOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81584708
_cell_length_b   4.81584708
_cell_length_c   4.81584708
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2CuOs
_chemical_formula_sum   'Dy2 Cu1 Os1'
_cell_volume   78.97744276
_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
  Dy  Dy0  1  0.50000000  0.50000000  0.50000000  1.0
  Dy  Dy1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.25000100  0.25000100  0.25000100  1.0
  Os  Os3  1  0.75000100  0.75000100  0.75000100  1.0

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