Y6Al24Ir3Os5

High-Entropy Materials HEA

MP-ID: mp-3292094 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Y6Al24Ir3Os5

MP-ID

mp-3292094

Elements

Sites

Density

7.0855

g/cm³

Volume

634.83

Å³

Cell a

8.7850

Cell b

8.7721

Cell c

9.4997

α Angle

90.19

β Angle

90.00

γ Angle

119.87

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

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
14.89	5.9487	1.8	(0,1,-1)
14.89	5.9484	1.7	(1,0,-1)
14.92	5.9390	1.9	(1,-1,1)
14.92	5.9378	1.8	(1,0,1)
14.95	5.9276	1.9	(1,-1,-1)
14.95	5.9268	1.8	(0,1,1)
18.68	4.7498	100.0	(0,0,2)
23.35	3.8090	76.4	(2,0,0)
23.39	3.8034	76.1	(0,2,0)
23.42	3.7987	75.4	(2,-2,0)
25.17	3.5376	4.8	(2,0,-1)
25.19	3.5355	4.4	(0,2,-1)
25.21	3.5332	4.6	(2,0,1)
25.23	3.5296	4.3	(2,-2,1)
25.26	3.5263	4.6	(0,2,1)
25.27	3.5248	4.1	(2,-2,-1)
30.04	2.9744	65.8	(0,2,-2)
30.05	2.9742	65.1	(2,0,-2)
30.09	2.9695	65.4	(2,-2,2)
30.10	2.9689	65.7	(2,0,2)
30.15	2.9638	66.0	(2,-2,-2)
30.16	2.9634	64.9	(0,2,2)
30.54	2.9273	1.3	(0,1,-3)
30.55	2.9259	1.2	(1,0,-3)

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Energy Properties

Formation Energy/atom

-0.79010

eV/atom

Energy/atom

-19.35473

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.3547

eV/atom

Volume/atom

16.71

Å³

c/a Ratio

1.0814

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.2998

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002050

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.632

Element Family

PostTransition-Noble

Solute Fraction

0.368

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0490

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7213

J/mol·K

Ω Parameter

0.4986

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.854%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3056

smaller = more stable mixing

VEC

4.132

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-26.674

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7567

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfhza

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292094

Reference Citation

The crystal structure and related material properties of Y6Al24Ir3Os5 were obtained from the Materials Project database (MP-ID: mp-3292094, 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_Y6Al24Ir3Os5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78498105
_cell_length_b   8.77211530
_cell_length_c   9.49973830
_cell_angle_alpha   90.19008993
_cell_angle_beta   89.99546627
_cell_angle_gamma   119.86939656
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y6Al24Ir3Os5
_chemical_formula_sum   'Y6 Al24 Ir3 Os5'
_cell_volume   634.82552082
_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  0.18910589  0.38509604  0.24996032  1.0
  Y  Y1  1  0.81089411  0.61490396  0.75003968  1.0
  Y  Y2  1  0.61724010  0.81043453  0.25105319  1.0
  Y  Y3  1  0.38275990  0.18956547  0.74894681  1.0
  Y  Y4  1  0.19145133  0.80507679  0.25108172  1.0
  Y  Y5  1  0.80854867  0.19492321  0.74891828  1.0
  Al  Al6  1  0.33222650  0.66614011  0.01660632  1.0
  Al  Al7  1  0.66777350  0.33385989  0.98339368  1.0
  Al  Al8  1  0.66720508  0.33262535  0.51619479  1.0
  Al  Al9  1  0.33279492  0.66737465  0.48380521  1.0
  Al  Al10  1  0.16280975  0.32720710  0.57605911  1.0
  Al  Al11  1  0.83719025  0.67279290  0.42394089  1.0
  Al  Al12  1  0.67355948  0.83787637  0.57686446  1.0
  Al  Al13  1  0.83757466  0.67334763  0.07650998  1.0
  Al  Al14  1  0.32644052  0.16212363  0.42313554  1.0
  Al  Al15  1  0.16242534  0.32665237  0.92349002  1.0
  Al  Al16  1  0.16408823  0.83642400  0.57632865  1.0
  Al  Al17  1  0.32624432  0.16336755  0.07658420  1.0
  Al  Al18  1  0.83591177  0.16357600  0.42367135  1.0
  Al  Al19  1  0.67375568  0.83663245  0.92341580  1.0
  Al  Al20  1  0.83749362  0.16486523  0.07601616  1.0
  Al  Al21  1  0.16250638  0.83513477  0.92398384  1.0
  Al  Al22  1  0.56133320  0.12363284  0.25043625  1.0
  Al  Al23  1  0.43866680  0.87636716  0.74956375  1.0
  Al  Al24  1  0.87540293  0.43806572  0.24952841  1.0
  Al  Al25  1  0.12459707  0.56193428  0.75047159  1.0
  Al  Al26  1  0.56119708  0.43846101  0.24949393  1.0
  Al  Al27  1  0.43880292  0.56153899  0.75050607  1.0
  Al  Al28  1  0.00018345  0.00042491  0.25003209  1.0
  Al  Al29  1  0.99981655  0.99957509  0.74996791  1.0
  Ir  Ir30  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir31  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir32  1  0.50000000  0.50000000  0.50000000  1.0
  Os  Os33  1  0.00000000  0.50000000  0.00000000  1.0
  Os  Os34  1  0.50000000  0.00000000  0.50000000  1.0
  Os  Os35  1  0.00000000  0.50000000  0.50000000  1.0
  Os  Os36  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os37  1  0.00000000  0.00000000  0.50000000  1.0

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