YbHo(CoIr)2

High-Entropy Materials HEA

MP-ID: mp-3249549 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

YbHo(CoIr)2

MP-ID

mp-3249549

Elements

Sites

Density

14.2630

g/cm³

Volume

97.83

Å³

Cell a

4.9437

Cell b

5.1453

Cell c

5.1453

α Angle

65.64

β Angle

61.29

γ Angle

61.29

Space Group

Imm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
20.25	4.3850	3.6	(0,0,1)
20.25	4.3850	3.6	(0,1,0)
21.91	4.0563	10.4	(1,1,1)
25.10	3.5478	15.0	(0,1,1)
35.04	2.5607	9.8	(1,1,2)
35.04	2.5607	29.3	(1,0,-1)
36.35	2.4719	27.5	(2,1,1)
39.20	2.2981	100.0	(1,2,0)
41.17	2.1925	26.4	(0,2,0)
41.47	2.1775	7.9	(0,1,2)
41.47	2.1775	7.9	(0,2,1)
41.96	2.1533	26.6	(2,2,1)
42.36	2.1336	36.9	(1,2,2)
44.68	2.0281	24.3	(2,2,2)
49.26	1.8498	1.9	(2,2,0)
54.12	1.6945	2.1	(1,0,-2)
56.07	1.6403	5.4	(2,3,1)
56.30	1.6339	1.3	(2,3,2)
59.13	1.5624	4.4	(1,0,3)
59.13	1.5624	4.4	(1,-2,1)
62.00	1.4968	6.0	(0,1,3)
62.00	1.4968	6.0	(0,3,1)
63.66	1.4617	2.2	(0,0,3)
63.66	1.4617	2.2	(0,3,0)

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Energy Properties

Formation Energy/atom

-0.66785

eV/atom

Energy/atom

-34.10083

eV/atom

Energy above Hull

0.0509

eV/atom

Uncorrected Energy

-34.1008

eV/atom

Volume/atom

16.30

Å³

c/a Ratio

1.0408

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.5665

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.036460

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

3.2426

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.761%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4343

smaller = more stable mixing

VEC

10.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.730

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcxar

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249549

Reference Citation

The crystal structure and related material properties of YbHo(CoIr)2 were obtained from the Materials Project database (MP-ID: mp-3249549, 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…

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Raw CIF Data

# generated using pymatgen
data_YbHo(CoIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94369019
_cell_length_b   5.14531138
_cell_length_c   5.14531184
_cell_angle_alpha   65.64132880
_cell_angle_beta   61.28799521
_cell_angle_gamma   61.28799393
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbHo(CoIr)2
_chemical_formula_sum   'Yb1 Ho1 Co2 Ir2'
_cell_volume   97.82670698
_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
  Yb  Yb0  1  0.74491665  0.75508335  0.75508335  1.0
  Ho  Ho1  1  0.50383024  0.49616976  0.49616976  1.0
  Co  Co2  1  0.62463321  0.12443761  0.12443761  1.0
  Co  Co3  1  0.12649256  0.12443761  0.12443761  1.0
  Ir  Ir4  1  0.12506417  0.12405025  0.62582241  1.0
  Ir  Ir5  1  0.12506417  0.62582241  0.12405025  1.0

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