AlZn5W

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202329 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

AlZn5W

MP-ID

mp-3202329

Elements

Sites

Density

8.0741

g/cm³

Volume

110.62

Å³

Cell a

5.2698

Cell b

5.4116

Cell c

5.4116

α Angle

60.11

β Angle

60.86

γ Angle

60.86

Space Group

Immm

Point Group

mmm

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
19.99	4.4409	19.0	(0,0,1)
19.99	4.4409	19.0	(0,1,0)
20.38	4.3570	97.4	(1,1,1)
23.55	3.7784	8.8	(1,1,0)
33.12	2.7045	1.9	(1,1,2)
33.12	2.7045	5.8	(1,0,-1)
38.63	2.3309	7.1	(0,2,1)
38.84	2.3185	19.2	(1,2,2)
39.14	2.3013	37.5	(1,2,0)
39.78	2.2661	13.1	(2,2,1)
40.63	2.2204	52.9	(0,0,2)
40.63	2.2204	52.9	(0,2,0)
41.45	2.1785	100.0	(2,2,2)
46.92	1.9363	34.7	(0,2,2)
48.17	1.8892	64.2	(2,2,0)
51.90	1.7618	16.6	(1,3,1)
51.97	1.7595	3.1	(0,2,-1)
52.41	1.7458	6.1	(2,3,2)
53.15	1.7232	1.7	(1,-1,-2)
53.49	1.7131	3.8	(3,2,2)
53.49	1.7131	3.8	(3,1,1)
53.62	1.7091	1.1	(1,2,-1)
54.95	1.6710	1.0	(3,2,1)
62.49	1.4862	2.4	(1,3,3)

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Energy Properties

Formation Energy/atom

-0.05604

eV/atom

Energy/atom

-14.72074

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.7207

eV/atom

Volume/atom

15.80

Å³

c/a Ratio

1.0269

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

Zn · 0.714

Element Family

3d-TM

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7963

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6205

J/mol·K

Ω Parameter

1.2747

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.454%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2512

smaller = more stable mixing

VEC

9.857

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

6.004

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7248

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.821

Family

Zn-based Alloy

Matrix Element

Zn · 0.714

Related Tasks

Related computation task IDs (1)

aaahafen

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202329

Reference Citation

The crystal structure and related material properties of AlZn5W were obtained from the Materials Project database (MP-ID: mp-3202329, 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_AlZn5W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26980027
_cell_length_b   5.41159221
_cell_length_c   5.41159291
_cell_angle_alpha   60.10656142
_cell_angle_beta   60.86301868
_cell_angle_gamma   60.86302093
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZn5W
_chemical_formula_sum   'Al1 Zn5 W1'
_cell_volume   110.61916848
_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
  Al  Al0  1  0.50000000  0.00000000  0.00000000  1.0
  Zn  Zn1  1  0.50000000  0.50000000  0.00000000  1.0
  Zn  Zn2  1  0.50000000  0.00000000  0.50000000  1.0
  Zn  Zn3  1  0.00000000  0.00000000  0.50000000  1.0
  Zn  Zn4  1  0.00000000  0.50000000  0.00000000  1.0
  Zn  Zn5  1  0.00000000  0.50000000  0.50000000  1.0
  W  W6  1  0.00000000  0.00000000  0.00000000  1.0

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