YHo(CoOs)2

High-Entropy Materials HEA

MP-ID: mp-3247245 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

YHo(CoOs)2

MP-ID

mp-3247245

Elements

Sites

Density

12.3824

g/cm³

Volume

100.87

Å³

Cell a

5.2203

Cell b

5.2693

Cell c

5.2693

α Angle

57.50

β Angle

60.31

γ Angle

60.31

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
20.62	4.3072	40.4	(1,1,1)
21.05	4.2212	5.4	(0,1,0)
23.34	3.8116	21.1	(0,1,1)
24.48	3.6368	3.2	(1,1,0)
34.07	2.6312	18.0	(1,2,1)
34.07	2.6312	18.0	(1,0,-1)
34.36	2.6101	34.5	(2,1,1)
39.44	2.2848	30.5	(1,2,2)
39.44	2.2848	30.5	(1,-1,-1)
39.68	2.2717	15.8	(0,2,1)
40.64	2.2200	33.7	(2,2,1)
41.33	2.1845	100.0	(1,2,0)
41.95	2.1536	37.7	(2,2,2)
42.85	2.1106	20.0	(0,2,0)
42.85	2.1106	20.0	(0,0,2)
47.72	1.9058	3.3	(0,2,2)
50.17	1.8184	5.6	(2,2,0)
54.04	1.6971	1.3	(1,3,1)
54.04	1.6971	4.0	(1,0,-2)
54.06	1.6965	3.3	(3,2,2)
56.03	1.6412	2.7	(2,3,1)
56.03	1.6412	5.4	(2,1,3)
56.03	1.6412	2.7	(2,1,-1)
60.81	1.5233	6.9	(0,3,1)

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Energy Properties

Formation Energy/atom

-0.29142

eV/atom

Energy/atom

-31.23039

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.2304

eV/atom

Volume/atom

16.81

Å³

c/a Ratio

1.0094

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.0014

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.029760

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

1.0941

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.639%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4058

smaller = more stable mixing

VEC

8.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-23.039

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahctqb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247245

Reference Citation

The crystal structure and related material properties of YHo(CoOs)2 were obtained from the Materials Project database (MP-ID: mp-3247245, 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_YHo(CoOs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22027137
_cell_length_b   5.26934335
_cell_length_c   5.26934265
_cell_angle_alpha   57.50437660
_cell_angle_beta   60.30757353
_cell_angle_gamma   60.30757493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHo(CoOs)2
_chemical_formula_sum   'Y1 Ho1 Co2 Os2'
_cell_volume   100.86875554
_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  0.99588482  0.00411518  0.00411518  1.0
  Ho  Ho1  1  0.25494790  0.24505210  0.24505210  1.0
  Co  Co2  1  0.12507758  0.62526481  0.62526481  1.0
  Co  Co3  1  0.62439280  0.62526481  0.62526481  1.0
  Os  Os4  1  0.62484845  0.62497667  0.12532743  1.0
  Os  Os5  1  0.62484845  0.12532743  0.62497667  1.0

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