Dy10Al4IrRu5

High-Entropy Materials HEA

MP-ID: mp-3296434 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

Dy10Al4IrRu5

MP-ID

mp-3296434

Elements

Sites

Density

9.1698

g/cm³

Volume

440.13

Å³

Cell a

8.2924

Cell b

8.3073

Cell c

8.3073

α Angle

109.50

β Angle

109.72

γ Angle

109.27

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
13.04	6.7871	33.9	(0,1,0)
13.05	6.7839	1.0	(0,1,-1)
13.08	6.7683	6.9	(1,-1,0)
13.09	6.7657	19.4	(1,0,0)
18.47	4.8038	6.4	(1,1,-1)
18.51	4.7946	13.6	(1,-1,-1)
18.57	4.7773	24.0	(1,-1,1)
22.68	3.9209	11.8	(0,2,-1)
22.71	3.9154	7.3	(1,-2,0)
22.71	3.9154	7.3	(1,0,-2)
22.72	3.9139	2.1	(2,0,-1)
22.73	3.9119	13.6	(2,-1,-1)
22.74	3.9101	1.9	(1,-2,1)
22.78	3.9031	10.5	(2,-1,0)
26.26	3.3935	35.2	(0,2,0)
26.27	3.3920	26.2	(0,2,-2)
26.34	3.3842	35.5	(2,-2,0)
26.35	3.3829	24.1	(2,0,0)
29.39	3.0390	4.0	(1,2,-2)
29.40	3.0376	80.8	(1,2,-1)
29.44	3.0341	13.8	(2,1,-1)
29.45	3.0329	25.3	(1,-2,-1)
29.47	3.0313	80.7	(2,-2,-1)
29.52	3.0255	38.3	(1,-2,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.61547

eV/atom

Energy/atom

-26.92689

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.9269

eV/atom

Volume/atom

22.01

Å³

c/a Ratio

1.0018

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1648

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6843

J/mol·K

Ω Parameter

7.2552

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.049%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4244

smaller = more stable mixing

VEC

8.050

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.423

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8402

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfojy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296434

Reference Citation

The crystal structure and related material properties of Dy10Al4IrRu5 were obtained from the Materials Project database (MP-ID: mp-3296434, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Dy10Al4IrRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29243109
_cell_length_b   8.30729256
_cell_length_c   8.30729160
_cell_angle_alpha   109.49923017
_cell_angle_beta   109.71776418
_cell_angle_gamma   109.26954503
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy10Al4IrRu5
_chemical_formula_sum   'Dy10 Al4 Ir1 Ru5'
_cell_volume   440.13178791
_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  0.25000000  0.67988703  0.42988703  1.0
  Dy  Dy1  1  0.75000000  0.82014286  0.07014286  1.0
  Dy  Dy2  1  0.43244865  0.25164727  0.67861454  1.0
  Dy  Dy3  1  0.67860020  0.42942849  0.24935622  1.0
  Dy  Dy4  1  0.06755135  0.74616589  0.81919862  1.0
  Dy  Dy5  1  0.82139980  0.07075602  0.75082828  1.0
  Dy  Dy6  1  0.21255315  0.21488881  0.21532734  1.0
  Dy  Dy7  1  0.50046068  0.99943322  0.28727874  1.0
  Dy  Dy8  1  0.28744685  0.50277519  0.00233566  1.0
  Dy  Dy9  1  0.99953932  0.28681706  0.49897254  1.0
  Al  Al10  1  0.58803076  0.58862199  0.58811915  1.0
  Al  Al11  1  0.49908373  0.99805646  0.91034339  1.0
  Al  Al12  1  0.91196924  0.50008739  0.00059122  1.0
  Al  Al13  1  0.00091627  0.91125966  0.49897173  1.0
  Ir  Ir14  1  0.25000000  0.12139404  0.87139404  1.0
  Ru  Ru15  1  0.75000000  0.37781010  0.62781010  1.0
  Ru  Ru16  1  0.86958431  0.24984288  0.12036988  1.0
  Ru  Ru17  1  0.12289014  0.87316065  0.24993057  1.0
  Ru  Ru18  1  0.63041469  0.75078457  0.38025756  1.0
  Ru  Ru19  1  0.37710986  0.62703943  0.75027051  1.0

Get direct link