Dy4Al15(GaIr2)3

High-Entropy Materials HEA

MP-ID: mp-3292733 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy4Al15(GaIr2)3

MP-ID

mp-3292733

Elements

Sites

Density

8.7006

g/cm³

Volume

461.33

Å³

Cell a

7.4783

Cell b

7.4804

Cell c

9.4717

α Angle

90.00

β Angle

90.00

γ Angle

119.46

Space Group

Point Group

Crystal System

Monoclinic

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
13.60	6.5130	5.9	(0,1,-1,0)
13.60	6.5112	7.3	(1,0,-1,0)
13.71	6.4597	4.1	(1,-1,0,0)
16.52	5.3667	6.9	(0,1,-1,1)
16.52	5.3657	3.0	(1,0,-1,1)
18.74	4.7358	17.9	(0,0,0,2)
23.22	3.8303	2.4	(0,1,-1,2)
23.22	3.8299	3.3	(1,0,-1,2)
23.60	3.7700	35.3	(1,1,-2,0)
23.79	3.7400	36.9	(1,-2,1,0)
23.80	3.7390	39.6	(2,-1,-1,0)
25.43	3.5027	16.9	(1,1,-2,1)
25.61	3.4786	23.4	(1,-2,1,1)
25.61	3.4778	31.9	(2,-1,-1,1)
27.62	3.2299	3.8	(2,-2,0,0)
28.99	3.0796	10.9	(0,2,-2,1)
29.00	3.0788	8.5	(2,0,-2,1)
30.30	2.9495	100.0	(1,1,-2,2)
30.46	2.9351	95.3	(1,-2,1,2)
30.46	2.9346	90.8	(2,-1,-1,2)
31.49	2.8410	2.4	(0,1,-1,3)
33.39	2.6833	2.5	(0,2,-2,2)
33.40	2.6828	1.5	(2,0,-2,2)
33.59	2.6684	12.0	(2,-2,0,2)

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Energy Properties

Formation Energy/atom

-0.94250

eV/atom

Energy/atom

-21.56368

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.5637

eV/atom

Volume/atom

16.48

Å³

c/a Ratio

1.2666

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0030

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.536

Element Family

PostTransition-Noble

Solute Fraction

0.464

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1818

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.8252

J/mol·K

Ω Parameter

1.6208

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.676%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3035

smaller = more stable mixing

VEC

5.286

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.241

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8525

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfixp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292733

Reference Citation

The crystal structure and related material properties of Dy4Al15(GaIr2)3 were obtained from the Materials Project database (MP-ID: mp-3292733, 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_Dy4Al15(GaIr2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47832249
_cell_length_b   7.48035800
_cell_length_c   9.47168399
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.46269692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy4Al15(GaIr2)3
_chemical_formula_sum   'Dy4 Al15 Ga3 Ir6'
_cell_volume   461.32862232
_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  0.99971114  0.67586126  0.25000000  1.0
  Dy  Dy1  1  0.00405966  0.32543883  0.75000000  1.0
  Dy  Dy2  1  0.67061088  0.99234900  0.25000000  1.0
  Dy  Dy3  1  0.32468352  0.00266957  0.75000000  1.0
  Al  Al4  1  0.00226388  0.33515395  0.07229831  1.0
  Al  Al5  1  0.99775256  0.66433202  0.92718465  1.0
  Al  Al6  1  0.99775256  0.66433202  0.57281535  1.0
  Al  Al7  1  0.33596909  0.00405342  0.42768290  1.0
  Al  Al8  1  0.00226388  0.33515395  0.42770169  1.0
  Al  Al9  1  0.66435524  0.99824132  0.57261417  1.0
  Al  Al10  1  0.66435524  0.99824132  0.92738583  1.0
  Al  Al11  1  0.33596909  0.00405342  0.07231710  1.0
  Al  Al12  1  0.33475374  0.33480327  0.55730307  1.0
  Al  Al13  1  0.66526723  0.66487793  0.44822376  1.0
  Al  Al14  1  0.66526723  0.66487793  0.05177624  1.0
  Al  Al15  1  0.33475374  0.33480327  0.94269693  1.0
  Al  Al16  1  0.66295253  0.45081453  0.75000000  1.0
  Al  Al17  1  0.55029722  0.33958167  0.25000000  1.0
  Al  Al18  1  0.45102075  0.66302762  0.75000000  1.0
  Ga  Ga19  1  0.13219216  0.13298675  0.25000000  1.0
  Ga  Ga20  1  0.86497762  0.86496701  0.75000000  1.0
  Ga  Ga21  1  0.33917828  0.54557917  0.25000000  1.0
  Ir  Ir22  1  0.67141735  0.32887137  0.00013626  1.0
  Ir  Ir23  1  0.32818146  0.67244396  0.99837049  1.0
  Ir  Ir24  1  0.32818146  0.67244396  0.50162951  1.0
  Ir  Ir25  1  0.67141735  0.32887137  0.49986374  1.0
  Ir  Ir26  1  0.00019959  0.00058555  0.99992235  1.0
  Ir  Ir27  1  0.00019959  0.00058555  0.50007765  1.0

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