Dy10Al(ZnRu2)3

High-Entropy Materials HEA

MP-ID: mp-3296532 · Space group: R3 (#146)

Materials Project API

Basic Information

Formula

Dy10Al(ZnRu2)3

MP-ID

mp-3296532

Elements

Sites

Density

9.4554

g/cm³

Volume

431.08

Å³

Cell a

8.2274

Cell b

8.2881

Cell c

8.2274

α Angle

109.62

β Angle

109.32

γ Angle

109.62

Space Group

Point Group

Crystal System

Trigonal

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
13.12	6.7485	9.7	(1,-1,0)
13.19	6.7114	5.4	(1,0,-1)
18.65	4.7587	5.2	(1,1,-1)
22.78	3.9034	1.2	(1,-2,0)
22.91	3.8819	4.4	(2,-1,0)
22.95	3.8748	3.0	(2,0,-1)
22.95	3.8748	1.5	(1,0,1)
26.41	3.3742	14.6	(2,-2,0)
26.56	3.3557	17.4	(2,0,-2)
29.63	3.0147	2.6	(2,-2,1)
29.63	3.0147	65.3	(2,-2,-1)
29.73	3.0047	76.9	(2,1,-1)
32.41	2.7627	26.2	(1,-3,1)
32.65	2.7424	81.3	(3,-1,-1)
35.13	2.5547	53.5	(2,-3,1)
35.13	2.5547	46.3	(0,3,-2)
35.27	2.5447	81.9	(3,-2,0)
35.27	2.5447	19.8	(1,2,0)
35.36	2.5387	100.0	(3,-1,-2)
35.39	2.5367	88.1	(3,0,-2)
37.81	2.3794	5.6	(2,2,-2)
40.08	2.2495	4.1	(3,-3,0)
40.08	2.2495	8.3	(0,3,-3)
40.21	2.2426	4.0	(3,-2,1)

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Energy Properties

Formation Energy/atom

-0.46082

eV/atom

Energy/atom

-25.75228

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.7523

eV/atom

Volume/atom

21.55

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0019

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

1.1421

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.4956

J/mol·K

Ω Parameter

14.7147

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.998%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4249

smaller = more stable mixing

VEC

9.350

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.144

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8239

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfons

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296532

Reference Citation

The crystal structure and related material properties of Dy10Al(ZnRu2)3 were obtained from the Materials Project database (MP-ID: mp-3296532, 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_Dy10Al(ZnRu2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22740195
_cell_length_b   8.28812921
_cell_length_c   8.22740156
_cell_angle_alpha   109.62081075
_cell_angle_beta   109.32121535
_cell_angle_gamma   109.62081861
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy10Al(ZnRu2)3
_chemical_formula_sum   'Dy10 Al1 Zn3 Ru6'
_cell_volume   431.07704502
_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  0.25106987  0.68103067  0.43362032  1.0
  Dy  Dy1  1  0.74932410  0.81833155  0.06572025  1.0
  Dy  Dy2  1  0.43428075  0.25261031  0.68360385  1.0
  Dy  Dy3  1  0.68254946  0.42996180  0.24893013  1.0
  Dy  Dy4  1  0.06638068  0.74741135  0.81745054  1.0
  Dy  Dy5  1  0.81639615  0.06900745  0.75067590  1.0
  Dy  Dy6  1  0.22071155  0.22109631  0.22166784  1.0
  Dy  Dy7  1  0.50095729  0.00038276  0.27928845  1.0
  Dy  Dy8  1  0.27833216  0.49942847  0.99904371  1.0
  Dy  Dy9  1  0.00000000  0.28000969  0.50000100  1.0
  Al  Al10  1  0.00000000  0.90915806  0.50000100  1.0
  Zn  Zn11  1  0.49792801  0.99993012  0.91055835  1.0
  Zn  Zn12  1  0.58944165  0.58937077  0.58736866  1.0
  Zn  Zn13  1  0.91263134  0.50200311  0.00207299  1.0
  Ru  Ru14  1  0.24279457  0.12291995  0.87083298  1.0
  Ru  Ru15  1  0.74869445  0.37146971  0.62058141  1.0
  Ru  Ru16  1  0.87941759  0.25089030  0.12811204  1.0
  Ru  Ru17  1  0.12803941  0.88012638  0.25720743  1.0
  Ru  Ru18  1  0.62916602  0.75208697  0.37195959  1.0
  Ru  Ru19  1  0.37188696  0.62277526  0.75130555  1.0

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