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MgZn5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-580931 · Space group: C2/m (#12)

Basic Information

Formula
MgZn5
MP-ID
mp-580931
Elements
2
Sites
24
Density
5.9492
g/cm³
Volume
392.28
ų
Cell a
9.8646
Å
Cell b
9.8646
Å
Cell c
8.8524
Å
α Angle
67.95
°
β Angle
67.95
°
γ Angle
29.62
°
Space Group
C2/m
Point Group
2/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
10.85 8.1575 3.1 (0,0,1)
11.59 7.6383 41.1 (1,1,1)
18.30 4.8468 10.3 (1,0,0)
20.13 4.4114 15.4 (1,1,2)
20.21 4.3941 40.4 (2,2,0)
20.29 4.3778 38.3 (1,0,1)
21.79 4.0787 2.1 (0,0,2)
22.32 3.9836 4.4 (1,0,-1)
23.06 3.8565 9.3 (2,1,1)
23.29 3.8191 7.1 (2,2,2)
26.51 3.3617 1.3 (2,2,-1)
27.02 3.2997 6.2 (1,0,2)
28.08 3.1774 5.6 (3,3,1)
29.38 3.0402 1.8 (3,2,1)
29.85 2.9931 3.3 (3,3,2)
30.40 2.9400 2.9 (1,1,3)
31.01 2.8837 5.5 (3,2,0)
35.25 2.5461 1.3 (3,3,3)
35.33 2.5404 27.9 (2,1,3)
35.37 2.5380 28.1 (2,2,-2)
35.61 2.5211 14.3 (1,-1,0)
36.05 2.4916 2.3 (2,1,-2)
36.20 2.4817 48.2 (3,2,-1)
36.39 2.4688 3.0 (3,3,-1)
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Energy Properties

Formation Energy/atom
-0.03718
eV/atom
Energy/atom
-1.35871
eV/atom
Energy above Hull
0.0301
eV/atom
Uncorrected Energy
-1.3587
eV/atom
Volume/atom
16.34
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0031
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

KVRH
62.771
GPa
GVRH
11.369
GPa
Young's Modulus E
32.165
GPa
Poisson Ratio ν
0.415
Pugh Ratio K/G
5.521
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
21.231
Lame λ
55.192
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 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
0.902
Family
Zn-based Alloy
Matrix Element
Zn · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
21.2310
Homogeneous Poisson ν
0.4150
Debye Temperature
183.9
K
Sound Velocity
1,568.0
m/s
Homogeneity
0.4150

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-580931
Reference Citation

The crystal structure and related material properties of MgZn5 were obtained from the Materials Project database (MP-ID: mp-580931, 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_MgZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86458361
_cell_length_b   9.86458361
_cell_length_c   8.85243832
_cell_angle_alpha   67.94503849
_cell_angle_beta   67.94503849
_cell_angle_gamma   29.61528299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn5
_chemical_formula_sum   'Mg4 Zn20'
_cell_volume   392.27643415
_cell_formula_units_Z   4
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  0.28090500  0.28090500  0.37363500  1.0
  Mg  Mg1  1  0.71909500  0.71909500  0.62636500  1.0
  Mg  Mg2  1  0.46648700  0.46648700  0.20212800  1.0
  Mg  Mg3  1  0.53351300  0.53351300  0.79787200  1.0
  Zn  Zn4  1  0.50000000  0.50000000  0.50000000  1.0
  Zn  Zn5  1  0.03533600  0.03533600  0.29540500  1.0
  Zn  Zn6  1  0.21079700  0.21079700  0.12546800  1.0
  Zn  Zn7  1  0.12314500  0.12314500  0.71189900  1.0
  Zn  Zn8  1  0.87685500  0.87685500  0.28810100  1.0
  Zn  Zn9  1  0.12298900  0.61614700  0.03820300  1.0
  Zn  Zn10  1  0.11910300  0.62489500  0.54026400  1.0
  Zn  Zn11  1  0.96466400  0.96466400  0.70459500  1.0
  Zn  Zn12  1  0.74676400  0.74676400  0.23552000  1.0
  Zn  Zn13  1  0.37510500  0.88089700  0.45973600  1.0
  Zn  Zn14  1  0.62489500  0.11910300  0.54026400  1.0
  Zn  Zn15  1  0.88089700  0.37510500  0.45973600  1.0
  Zn  Zn16  1  0.38385300  0.87701100  0.96179700  1.0
  Zn  Zn17  1  0.78920300  0.78920300  0.87453200  1.0
  Zn  Zn18  1  0.61614700  0.12298900  0.03820300  1.0
  Zn  Zn19  1  0.87701100  0.38385300  0.96179700  1.0
  Zn  Zn20  1  0.00000000  0.00000000  0.00000000  1.0
  Zn  Zn21  1  0.38798700  0.38798700  0.77897100  1.0
  Zn  Zn22  1  0.61201300  0.61201300  0.22102900  1.0
  Zn  Zn23  1  0.25323600  0.25323600  0.76448000  1.0
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