Dy4Ho6Ir3Os

High-Entropy Materials HEA

MP-ID: mp-3294473 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Dy4Ho6Ir3Os

MP-ID

mp-3294473

Elements

Sites

Density

11.1655

g/cm³

Volume

357.89

Å³

Cell a

6.4683

Cell b

7.1816

Cell c

8.3899

α Angle

96.49

β Angle

112.30

γ Angle

89.96

Space Group

Point Group

Crystal System

Triclinic

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
11.49	7.7044	11.9	(0,0,1)
14.82	5.9781	7.5	(1,0,0)
14.89	5.9500	7.5	(1,0,-1)
18.93	4.6878	1.6	(1,-1,0)
18.96	4.6805	1.4	(1,1,-1)
19.82	4.4802	72.4	(1,1,0)
19.89	4.4629	70.6	(1,-1,-1)
23.09	3.8522	17.1	(0,0,2)
24.29	3.6638	13.8	(1,-1,1)
24.40	3.6474	12.9	(1,1,-2)
26.24	3.3962	3.4	(0,2,-1)
28.56	3.1251	35.8	(1,-2,0)
28.57	3.1248	37.6	(1,2,-1)
28.85	3.0942	14.1	(0,2,1)
29.77	3.0012	9.8	(1,2,0)
29.84	2.9944	9.9	(1,-2,-1)
29.89	2.9890	7.6	(2,0,0)
30.04	2.9750	8.5	(2,0,-2)
30.33	2.9467	61.9	(2,1,-1)
30.37	2.9436	62.5	(2,-1,-1)
31.89	2.8066	45.8	(1,-2,1)
31.93	2.8028	44.2	(2,-1,0)
31.96	2.8006	41.8	(1,2,-2)
32.03	2.7939	42.8	(2,1,-2)

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Energy Properties

Formation Energy/atom

-0.66508

eV/atom

Energy/atom

-38.89926

eV/atom

Energy above Hull

0.0001

eV/atom

Uncorrected Energy

-38.8993

eV/atom

Volume/atom

25.56

Å³

c/a Ratio

1.2971

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.3700

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.429

Element Family

Lanthanide

Solute Fraction

0.571

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.3065

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.827%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4400

smaller = more stable mixing

VEC

10.071

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8942

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflmn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294473

Reference Citation

The crystal structure and related material properties of Dy4Ho6Ir3Os were obtained from the Materials Project database (MP-ID: mp-3294473, 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_Dy4Ho6Ir3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46827671
_cell_length_b   7.18157450
_cell_length_c   8.38989305
_cell_angle_alpha   96.48535213
_cell_angle_beta   112.30259904
_cell_angle_gamma   89.96495796
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy4Ho6Ir3Os
_chemical_formula_sum   'Dy4 Ho6 Ir3 Os1'
_cell_volume   357.88993044
_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  0.97283333  0.91639405  0.18626016  1.0
  Dy  Dy1  1  0.78987040  0.58376944  0.82043818  1.0
  Dy  Dy2  1  0.02589960  0.08398800  0.81526450  1.0
  Dy  Dy3  1  0.21244191  0.41674287  0.18561011  1.0
  Ho  Ho4  1  0.65417136  0.81693528  0.43830116  1.0
  Ho  Ho5  1  0.21090463  0.68095279  0.55915653  1.0
  Ho  Ho6  1  0.34883004  0.18144920  0.56104169  1.0
  Ho  Ho7  1  0.78746893  0.32015866  0.43794113  1.0
  Ho  Ho8  1  0.42797192  0.75020833  0.00017172  1.0
  Ho  Ho9  1  0.57240924  0.25047877  0.00068674  1.0
  Ir  Ir10  1  0.60494435  0.92780517  0.77869227  1.0
  Ir  Ir11  1  0.17322425  0.42662702  0.78133952  1.0
  Ir  Ir12  1  0.39300297  0.07224182  0.22046755  1.0
  Os  Os13  1  0.82602707  0.57225060  0.21462774  1.0

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