DyEr(CoOs)2

High-Entropy Materials HEA

MP-ID: mp-3252047 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

DyEr(CoOs)2

MP-ID

mp-3252047

Elements

Sites

Density

13.7427

g/cm³

Volume

100.06

Å³

Cell a

5.1948

Cell b

5.2565

Cell c

5.2565

α Angle

57.57

β Angle

60.39

γ Angle

60.39

Space Group

Imm2

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
20.70	4.2904	24.2	(1,0,0)
21.08	4.2148	6.4	(0,1,0)
21.08	4.2148	6.4	(0,0,1)
23.38	3.8049	21.1	(0,1,1)
34.16	2.6248	50.3	(1,0,-1)
34.16	2.6248	16.8	(1,1,2)
34.53	2.5974	50.6	(2,1,1)
39.54	2.2794	41.3	(1,-1,-1)
39.54	2.2794	41.3	(1,2,2)
39.75	2.2678	11.7	(0,2,1)
39.75	2.2678	11.7	(0,1,2)
40.81	2.2112	38.0	(2,1,0)
40.81	2.2112	12.7	(2,1,2)
41.42	2.1800	100.0	(1,2,0)
41.42	2.1800	33.3	(1,0,2)
42.12	2.1452	20.4	(2,0,0)
42.12	2.1452	20.4	(2,2,2)
42.92	2.1074	22.5	(0,2,0)
42.92	2.1074	22.5	(0,0,2)
47.81	1.9025	1.8	(0,2,2)
50.34	1.8128	1.5	(2,2,0)
50.34	1.8128	1.5	(2,0,2)
54.15	1.6938	1.4	(1,-2,0)
54.15	1.6938	1.4	(1,0,-2)

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Energy Properties

Formation Energy/atom

-0.31551

eV/atom

Energy/atom

-33.37320

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.3732

eV/atom

Volume/atom

16.68

Å³

c/a Ratio

1.0119

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.9990

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.029970

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.333

Element Family

3d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0548

J/mol·K

Ω Parameter

4.4615

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.898%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4036

smaller = more stable mixing

VEC

9.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.629

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahdast

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252047

Reference Citation

The crystal structure and related material properties of DyEr(CoOs)2 were obtained from the Materials Project database (MP-ID: mp-3252047, 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_DyEr(CoOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19479565
_cell_length_b   5.25645388
_cell_length_c   5.25645315
_cell_angle_alpha   57.57011537
_cell_angle_beta   60.38727563
_cell_angle_gamma   60.38727641
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyEr(CoOs)2
_chemical_formula_sum   'Dy1 Er1 Co2 Os2'
_cell_volume   100.05847569
_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  0.25433199  0.24566801  0.24566801  1.0
  Er  Er1  1  0.99514178  0.00485822  0.00485822  1.0
  Co  Co2  1  0.12472075  0.62483255  0.62483255  1.0
  Co  Co3  1  0.62561115  0.62483255  0.62483255  1.0
  Os  Os4  1  0.62509716  0.62485410  0.12495158  1.0
  Os  Os5  1  0.62509716  0.12495158  0.62485410  1.0

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