Basic Information
Formula
AlZn5W
MP-ID
mp-3202329
Elements
3
Sites
7
Density
8.0741
g/cm³
Volume
110.62
ų
Cell a
5.2698
Å
Cell b
5.4116
Å
Cell c
5.4116
Å
α Angle
60.11
°
β Angle
60.86
°
γ Angle
60.86
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oI
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
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) |
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
ų
c/a Ratio
1.0269
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 0.714
Element Family
N/A
Solute Fraction
0.286
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.821
Family
Zn-based Alloy
Matrix Element
Zn · 0.714
Related Tasks
Related computation task IDs (1)
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
