DyAl7ZnCu4

High-Entropy Materials HEA

MP-ID: mp-3247715 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

DyAl7ZnCu4

MP-ID

mp-3247715

Elements

Sites

Density

5.8070

g/cm³

Volume

191.87

Å³

Cell a

6.6482

Cell b

6.6482

Cell c

6.6482

α Angle

98.74

β Angle

98.07

γ Angle

135.04

Space Group

Imm2

Point Group

mm2

Crystal System

Orthorhombic

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
14.42	6.1428	82.3	(1,-1,0)
20.22	4.3920	11.7	(0,1,-1)
20.25	4.3844	31.0	(1,0,-1)
20.38	4.3585	1.3	(1,-1,1)
20.52	4.3289	15.7	(1,-1,-1)
28.88	3.0910	41.6	(2,-1,0)
28.96	3.0831	34.7	(2,-1,-1)
28.96	3.0831	34.7	(1,-2,0)
29.07	3.0714	63.4	(2,-2,0)
32.50	2.7547	21.7	(2,-2,1)
32.69	2.7397	14.2	(2,-2,-1)
35.30	2.5423	5.7	(1,1,-1)
35.59	2.5228	21.9	(1,-2,2)
35.78	2.5099	38.6	(2,-1,-2)
38.32	2.3491	16.7	(1,1,-2)
41.10	2.1960	100.0	(0,2,-2)
41.18	2.1922	69.3	(2,0,-2)
41.43	2.1797	72.4	(3,-2,0)
41.43	2.1792	61.2	(2,-2,2)
41.52	2.1750	63.6	(3,-2,-1)
41.73	2.1645	58.0	(2,-2,-2)
44.23	2.0476	10.5	(3,-3,0)
46.36	1.9584	43.4	(3,-1,-1)
46.66	1.9465	13.1	(3,-3,1)

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Energy Properties

Formation Energy/atom

-0.35624

eV/atom

Energy/atom

-10.46426

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-10.4643

eV/atom

Volume/atom

14.76

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Al · 0.538

Element Family

PostTransition-Noble

Solute Fraction

0.462

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0906

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0672

J/mol·K

Ω Parameter

9.3901

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.625%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1839

smaller = more stable mixing

VEC

6.692

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.065

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7867

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcuid

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3247715

Reference Citation

The crystal structure and related material properties of DyAl7ZnCu4 were obtained from the Materials Project database (MP-ID: mp-3247715, 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_DyAl7ZnCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64823965
_cell_length_b   6.64823939
_cell_length_c   6.64823964
_cell_angle_alpha   98.74491472
_cell_angle_beta   98.07232661
_cell_angle_gamma   135.03522173
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyAl7ZnCu4
_chemical_formula_sum   'Dy1 Al7 Zn1 Cu4'
_cell_volume   191.86616914
_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  0.00000000  0.99902988  0.99902988  1.0
  Al  Al1  1  0.28322410  0.50264251  0.78586661  1.0
  Al  Al2  1  0.65276944  0.99759440  0.65036383  1.0
  Al  Al3  1  0.00000000  0.34613457  0.34613457  1.0
  Al  Al4  1  1.00000000  0.65134551  0.65134551  1.0
  Al  Al5  1  0.34723056  0.99759440  0.34482496  1.0
  Al  Al6  1  0.71677590  0.50264251  0.21941841  1.0
  Al  Al7  1  0.50000000  0.27822431  0.77822431  1.0
  Zn  Zn8  1  0.50000000  0.71885159  0.21885159  1.0
  Cu  Cu9  1  0.00243693  0.00200109  0.50340500  1.0
  Cu  Cu10  1  0.50140491  0.50096807  0.50340500  1.0
  Cu  Cu11  1  0.49859509  0.00200109  0.99956416  1.0
  Cu  Cu12  1  0.99756307  0.50096807  0.99956416  1.0

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