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Mg5Si9

Traditional Materials TRA

MP-ID: mp-1075779 · Space group: P1 (#1)

Basic Information

Formula
Mg5Si9
MP-ID
mp-1075779
Elements
2
Sites
28
Density
2.5538
g/cm³
Volume
486.74
ų
Cell a
5.4954
Å
Cell b
7.0909
Å
Cell c
13.5904
Å
α Angle
96.85
°
β Angle
100.56
°
γ Angle
107.86
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
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
6.74 13.1234 8.7 (0,0,1)
13.36 6.6296 1.9 (0,1,0)
13.49 6.5617 11.5 (0,0,2)
13.79 6.4217 1.8 (0,1,-1)
16.07 5.5158 2.2 (0,1,1)
17.14 5.1737 3.5 (0,1,-2)
17.17 5.1654 3.1 (1,0,-1)
17.43 5.0872 1.5 (1,0,0)
18.06 4.9127 2.9 (1,-1,0)
19.43 4.5676 1.9 (1,0,-2)
19.83 4.4767 3.1 (1,-1,1)
20.13 4.4102 10.9 (1,0,1)
20.76 4.2797 1.2 (0,1,2)
21.65 4.1050 1.8 (1,-1,-2)
23.53 3.7803 1.4 (1,-1,2)
23.54 3.7798 2.0 (1,0,-3)
24.51 3.6322 2.4 (1,0,2)
26.47 3.3672 1.8 (0,2,-1)
26.70 3.3383 2.5 (1,-2,0)
27.18 3.2809 2.4 (0,0,4)
27.78 3.2108 6.6 (0,2,-2)
27.81 3.2077 3.2 (1,-2,-1)
27.99 3.1876 3.7 (0,1,-4)
27.99 3.1873 5.2 (1,1,1)
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Energy Properties

Formation Energy/atom
0.24322
eV/atom
Energy/atom
-3.82680
eV/atom
Energy above Hull
0.3014
eV/atom
Uncorrected Energy
-3.8724
eV/atom
Volume/atom
17.38
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
0.0021
μB
Mag. Ordering
NM
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
Si · 0.643
Element Family
N/A
Solute Fraction
0.357
Interstitial Fraction
0.643

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.489
Family
Binary Alloy
Matrix Element
Si · 0.643

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1075779
Reference Citation

The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075779, 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_Mg5Si9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49542300
_cell_length_b   7.09086112
_cell_length_c   13.59035324
_cell_angle_alpha   96.84696798
_cell_angle_beta   100.55794890
_cell_angle_gamma   107.85854129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Si9
_chemical_formula_sum   'Mg10 Si18'
_cell_volume   486.74364434
_cell_formula_units_Z   2
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  0.53933700  0.46474500  0.67706100  1.0
  Mg  Mg1  1  0.73147800  0.91749800  0.38090100  1.0
  Mg  Mg2  1  0.60236500  0.15037400  0.54257500  1.0
  Mg  Mg3  1  0.17726300  0.77139100  0.40738400  1.0
  Mg  Mg4  1  0.08886200  0.67894900  0.61983100  1.0
  Mg  Mg5  1  0.16829900  0.36230700  0.45801800  1.0
  Mg  Mg6  1  0.61232400  0.58035500  0.03465900  1.0
  Mg  Mg7  1  0.11067400  0.22482800  0.90094600  1.0
  Mg  Mg8  1  0.32867100  0.80970400  0.17565400  1.0
  Mg  Mg9  1  0.58398500  0.04012400  0.97802800  1.0
  Si  Si10  1  0.01940800  0.37273400  0.10945900  1.0
  Si  Si11  1  0.67607800  0.37160500  0.86017900  1.0
  Si  Si12  1  0.34008200  0.13019800  0.32112300  1.0
  Si  Si13  1  0.64019800  0.87748300  0.74019500  1.0
  Si  Si14  1  0.75764300  0.24008000  0.26081300  1.0
  Si  Si15  1  0.33617300  0.06763100  0.74989800  1.0
  Si  Si16  1  0.75100900  0.61245300  0.24064800  1.0
  Si  Si17  1  0.36803800  0.62114300  0.83733200  1.0
  Si  Si18  1  0.90512100  0.96137800  0.19365300  1.0
  Si  Si19  1  0.10440900  0.09520600  0.58599100  1.0
  Si  Si20  1  0.04374300  0.82160300  0.82291700  1.0
  Si  Si21  1  0.03128100  0.92553700  0.01231200  1.0
  Si  Si22  1  0.31651300  0.49626200  0.28666300  1.0
  Si  Si23  1  0.98912300  0.34017700  0.71746200  1.0
  Si  Si24  1  0.38577100  0.23814700  0.11560100  1.0
  Si  Si25  1  0.09509800  0.60043000  0.97926000  1.0
  Si  Si26  1  0.58616800  0.74726600  0.55488000  1.0
  Si  Si27  1  0.71085100  0.48029400  0.43638700  1.0
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