YHo(MnOs)2

High-Entropy Materials HEA

MP-ID: mp-3252516 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

YHo(MnOs)2

MP-ID

mp-3252516

Elements

Sites

Density

11.4804

g/cm³

Volume

107.64

Å³

Cell a

5.4643

Cell b

5.3517

Cell c

5.3517

α Angle

57.86

β Angle

59.30

γ Angle

59.30

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
20.01	4.4384	20.2	(1,0,0)
20.01	4.4384	20.2	(1,1,1)
20.75	4.2806	6.5	(0,1,0)
23.38	3.8045	21.5	(0,1,1)
23.67	3.7584	3.2	(1,1,0)
32.78	2.7321	38.2	(2,1,1)
33.52	2.6738	17.6	(1,0,-1)
33.52	2.6738	17.6	(1,2,1)
39.11	2.3030	32.3	(2,1,0)
39.16	2.3006	58.1	(1,-1,-1)
39.57	2.2777	6.8	(0,1,2)
39.57	2.2777	6.8	(0,2,1)
40.33	2.2362	100.0	(1,1,-1)
40.66	2.2192	18.3	(2,0,0)
40.66	2.2192	18.3	(2,2,2)
42.22	2.1403	36.9	(0,2,0)
47.82	1.9023	2.8	(0,2,2)
48.44	1.8792	5.2	(2,2,0)
51.60	1.7714	1.8	(3,1,1)
51.60	1.7714	1.8	(3,2,2)
53.27	1.7197	1.3	(1,0,-2)
53.27	1.7197	3.9	(1,-2,0)
54.46	1.6849	5.9	(2,1,-1)
54.46	1.6849	5.9	(2,3,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.34603

eV/atom

Energy/atom

-31.76804

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.7680

eV/atom

Volume/atom

17.94

Å³

c/a Ratio

0.9794

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.0379

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.056090

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

1.0877

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.160%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4054

smaller = more stable mixing

VEC

7.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-22.330

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahdbku

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252516

Reference Citation

The crystal structure and related material properties of YHo(MnOs)2 were obtained from the Materials Project database (MP-ID: mp-3252516, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_YHo(MnOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46428307
_cell_length_b   5.35172426
_cell_length_c   5.35172441
_cell_angle_alpha   57.85978102
_cell_angle_beta   59.30179382
_cell_angle_gamma   59.30179219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHo(MnOs)2
_chemical_formula_sum   'Y1 Ho1 Mn2 Os2'
_cell_volume   107.63821751
_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
  Y  Y0  1  0.25386439  0.24613561  0.24613561  1.0
  Ho  Ho1  1  0.99517711  0.00482289  0.00482289  1.0
  Mn  Mn2  1  0.12481796  0.62475712  0.62475712  1.0
  Mn  Mn3  1  0.62566680  0.62475712  0.62475712  1.0
  Os  Os4  1  0.62523737  0.62490675  0.12461851  1.0
  Os  Os5  1  0.62523737  0.12461851  0.62490675  1.0

Get direct link