DyHo(MnOs)2

High-Entropy Materials HEA

MP-ID: mp-3248895 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

DyHo(MnOs)2

MP-ID

mp-3248895

Elements

Sites

Density

12.6772

g/cm³

Volume

107.12

Å³

Cell a

5.4474

Cell b

5.3434

Cell c

5.3434

α Angle

57.93

β Angle

59.35

γ Angle

59.35

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
20.06	4.4274	24.8	(1,0,0)
20.77	4.2774	14.4	(0,1,0)
23.41	3.7997	22.1	(0,1,1)
32.88	2.7237	55.6	(2,1,1)
33.57	2.6697	64.7	(1,0,-1)
39.21	2.2975	12.2	(2,1,0)
39.21	2.2975	36.5	(2,0,1)
39.22	2.2970	78.0	(1,-1,-1)
39.61	2.2752	20.4	(0,2,1)
40.37	2.2340	100.0	(1,2,0)
40.37	2.2340	33.3	(1,0,2)
40.76	2.2137	20.0	(2,0,0)
40.76	2.2137	20.0	(2,2,2)
42.26	2.1387	41.5	(0,2,0)
47.88	1.8999	1.5	(0,2,2)
48.53	1.8760	1.4	(2,2,0)
48.53	1.8760	1.4	(2,0,2)
51.76	1.7661	2.1	(3,1,1)
52.40	1.7461	1.4	(2,0,-1)
53.33	1.7178	2.1	(1,0,-2)
54.56	1.6821	9.6	(2,1,-1)
54.56	1.6821	3.2	(2,1,3)
59.15	1.5619	9.6	(3,1,0)
59.15	1.5619	3.2	(3,2,3)

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Energy Properties

Formation Energy/atom

-0.36053

eV/atom

Energy/atom

-33.72724

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.7272

eV/atom

Volume/atom

17.85

Å³

c/a Ratio

0.9809

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.0486

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.056470

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mn · 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

2.7460

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.415%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4054

smaller = more stable mixing

VEC

8.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.765

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcwbn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3248895

Reference Citation

The crystal structure and related material properties of DyHo(MnOs)2 were obtained from the Materials Project database (MP-ID: mp-3248895, 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_DyHo(MnOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44740140
_cell_length_b   5.34337868
_cell_length_c   5.34337802
_cell_angle_alpha   57.92622232
_cell_angle_beta   59.35390450
_cell_angle_gamma   59.35390344
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyHo(MnOs)2
_chemical_formula_sum   'Dy1 Ho1 Mn2 Os2'
_cell_volume   107.11596534
_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  0.25404114  0.24595886  0.24595886  1.0
  Ho  Ho1  1  0.99564415  0.00435585  0.00435585  1.0
  Mn  Mn2  1  0.12487947  0.62496040  0.62496040  1.0
  Mn  Mn3  1  0.62519774  0.62496040  0.62496040  1.0
  Os  Os4  1  0.62511875  0.62487028  0.12489222  1.0
  Os  Os5  1  0.62511875  0.12489222  0.62487028  1.0

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