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Mg5Zn

Traditional Materials TRA

MP-ID: mp-1094459 · Space group: Cm (#8)

Basic Information

Formula
Mg5Zn
MP-ID
mp-1094459
Elements
2
Sites
6
Density
2.4965
g/cm³
Volume
124.34
ų
Cell a
5.9503
Å
Cell b
5.9503
Å
Cell c
7.2757
Å
α Angle
74.93
°
β Angle
74.93
°
γ Angle
30.08
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.63 7.0070 60.7 (0,0,1)
16.01 5.5343 35.2 (1,1,0)
17.54 5.0553 23.2 (1,1,1)
23.00 3.8662 10.7 (1,1,-1)
25.42 3.5035 6.4 (0,0,2)
26.19 3.4031 8.0 (1,1,2)
30.04 2.9744 10.9 (1,0,0)
31.40 2.8491 4.2 (2,2,1)
31.82 2.8121 8.2 (1,0,1)
32.35 2.7672 3.9 (2,2,0)
33.57 2.6694 48.6 (1,0,-1)
33.76 2.6547 29.2 (1,1,-2)
35.52 2.5276 76.2 (2,2,2)
37.55 2.3953 2.9 (1,1,3)
37.95 2.3711 9.3 (2,1,1)
38.00 2.3680 100.0 (2,1,0)
38.04 2.3653 45.5 (2,2,-1)
38.25 2.3530 98.2 (1,0,2)
38.55 2.3357 43.2 (0,0,3)
41.21 2.1906 7.0 (1,0,-2)
42.21 2.1411 6.7 (2,1,2)
42.35 2.1343 7.6 (2,1,-1)
43.45 2.0825 4.6 (2,2,3)
46.07 1.9702 3.3 (1,1,-3)
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Energy Properties

Formation Energy/atom
0.02966
eV/atom
Energy/atom
-1.53903
eV/atom
Energy above Hull
0.0651
eV/atom
Uncorrected Energy
-4.9449
eV/atom
Volume/atom
20.72
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.879
Family
Mg-based Alloy
Matrix Element
Mg · 0.833

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1094459
Reference Citation

The crystal structure and related material properties of Mg5Zn were obtained from the Materials Project database (MP-ID: mp-1094459, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Mg5Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95033583
_cell_length_b   5.95033583
_cell_length_c   7.27566676
_cell_angle_alpha   74.92865559
_cell_angle_beta   74.92865559
_cell_angle_gamma   30.07859013
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Zn
_chemical_formula_sum   'Mg5 Zn1'
_cell_volume   124.34109978
_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
  Mg  Mg0  1  0.00515335  0.00515335  0.01468116  1.0
  Mg  Mg1  1  0.32301886  0.32301886  0.33200995  1.0
  Mg  Mg2  1  0.95181214  0.95181214  0.59160356  1.0
  Mg  Mg3  1  0.66661950  0.66661950  0.66501123  1.0
  Mg  Mg4  1  0.27652979  0.27652979  0.95063019  1.0
  Zn  Zn5  1  0.61019936  0.61019936  0.27939790  1.0
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