Yb4HoIr2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292093 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Yb4HoIr2

MP-ID

mp-3292093

Elements

Sites

Density

11.5101

g/cm³

Volume

358.22

Å³

Cell a

6.4420

Cell b

7.2511

Cell c

8.3815

α Angle

97.06

β Angle

112.60

γ Angle

90.00

Space Group

C2/c

Point Group

2/m

Crystal System

Monoclinic

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
11.54	7.6689	18.2	(0,0,1)
14.92	5.9394	7.9	(1,0,0)
18.89	4.6987	1.9	(1,-1,0)
19.88	4.4665	100.0	(1,1,0)
22.20	4.0047	1.9	(1,0,1)
23.20	3.8345	5.7	(0,0,2)
24.29	3.6645	6.6	(1,-1,1)
25.94	3.4343	4.2	(0,2,-1)
28.36	3.1471	52.7	(1,-2,0)
28.81	3.0991	12.1	(0,2,1)
29.72	3.0065	16.3	(1,-2,-1)
30.09	2.9697	4.8	(2,0,0)
30.41	2.9393	79.6	(2,1,-1)
31.67	2.8250	62.3	(1,-2,1)
31.78	2.8157	47.9	(0,2,-2)
32.01	2.7960	55.3	(2,-1,0)
32.32	2.7696	99.1	(1,0,2)
33.23	2.6959	87.7	(2,1,0)
33.24	2.6954	34.5	(1,-1,2)
35.10	2.5563	40.2	(0,0,3)
35.26	2.5457	77.7	(1,2,1)
36.13	2.4860	77.0	(1,1,2)
36.43	2.4663	63.6	(2,0,1)
36.48	2.4634	59.5	(0,2,2)

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Energy Properties

Formation Energy/atom

-0.78206

eV/atom

Energy/atom

-41.31314

eV/atom

Energy above Hull

0.0060

eV/atom

Uncorrected Energy

-41.3131

eV/atom

Volume/atom

25.59

Å³

c/a Ratio

1.3011

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0123

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Yb · 0.571

Element Family

Lanthanide

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.752%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4872

smaller = more stable mixing

VEC

12.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.532

Family

Yb-rich Multi-Component

Matrix Element

Yb · 0.571

Related Tasks

Related computation task IDs (1)

aaahfhyz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292093

Reference Citation

The crystal structure and related material properties of Yb4HoIr2 were obtained from the Materials Project database (MP-ID: mp-3292093, 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_Yb4HoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44195199
_cell_length_b   7.25109505
_cell_length_c   8.38147473
_cell_angle_alpha   97.06296562
_cell_angle_beta   112.60010343
_cell_angle_gamma   90.00000172
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb4HoIr2
_chemical_formula_sum   'Yb8 Ho2 Ir4'
_cell_volume   358.22448154
_cell_formula_units_Z   2
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  0.97339807  0.92069734  0.17111263  1.0
  Yb  Yb1  1  0.80228644  0.57930266  0.82888737  1.0
  Yb  Yb2  1  0.02660193  0.07930266  0.82888737  1.0
  Yb  Yb3  1  0.19771356  0.42069734  0.17111263  1.0
  Yb  Yb4  1  0.63967595  0.82040733  0.43648754  1.0
  Yb  Yb5  1  0.20318841  0.67959267  0.56351246  1.0
  Yb  Yb6  1  0.36032405  0.17959267  0.56351246  1.0
  Yb  Yb7  1  0.79681159  0.32040733  0.43648754  1.0
  Ho  Ho8  1  0.43736381  0.75000000  1.00000000  1.0
  Ho  Ho9  1  0.56263619  0.25000000  0.00000000  1.0
  Ir  Ir10  1  0.81604931  0.57562501  0.21261540  1.0
  Ir  Ir11  1  0.60343491  0.92437499  0.78738460  1.0
  Ir  Ir12  1  0.18395069  0.42437499  0.78738460  1.0
  Ir  Ir13  1  0.39656509  0.07562501  0.21261540  1.0

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