Mg5Si9
Traditional Materials TRAMP-ID: mp-1075622 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075622
Elements
2
Sites
28
Density
2.4687
g/cm³
Volume
503.52
ų
Cell a
5.7158
Å
Cell b
6.7158
Å
Cell c
13.7546
Å
α Angle
82.95
°
β Angle
82.66
°
γ Angle
74.97
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
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 |
|---|---|---|---|
| 6.51 | 13.5820 | 27.2 | (0,0,1) |
| 13.04 | 6.7910 | 17.2 | (0,0,2) |
| 13.71 | 6.4575 | 2.0 | (0,1,0) |
| 14.63 | 6.0556 | 7.4 | (0,1,1) |
| 15.74 | 5.6314 | 5.1 | (0,1,-1) |
| 16.79 | 5.2790 | 6.5 | (1,0,1) |
| 18.02 | 4.9233 | 4.1 | (1,0,-1) |
| 18.05 | 4.9147 | 6.0 | (0,1,2) |
| 18.56 | 4.7797 | 3.1 | (1,1,1) |
| 19.74 | 4.4964 | 3.5 | (1,0,2) |
| 19.84 | 4.4754 | 1.4 | (0,1,-2) |
| 20.53 | 4.3272 | 1.7 | (1,1,-1) |
| 22.91 | 3.8815 | 3.3 | (0,1,3) |
| 23.72 | 3.7505 | 11.5 | (1,-1,0) |
| 24.19 | 3.6790 | 1.9 | (1,0,3) |
| 24.29 | 3.6641 | 3.5 | (1,1,-2) |
| 24.53 | 3.6284 | 4.9 | (1,-1,1) |
| 24.72 | 3.6022 | 1.3 | (1,-1,-1) |
| 25.05 | 3.5541 | 1.6 | (0,1,-3) |
| 26.25 | 3.3955 | 2.7 | (0,0,4) |
| 26.74 | 3.3335 | 1.2 | (1,0,-3) |
| 27.00 | 3.3029 | 1.3 | (1,-1,2) |
| 27.33 | 3.2637 | 4.4 | (1,-1,-2) |
| 27.80 | 3.2095 | 3.3 | (0,2,1) |
Energy Properties
Formation Energy/atom
0.19434
eV/atom
Energy/atom
-3.87568
eV/atom
Energy above Hull
0.2525
eV/atom
Uncorrected Energy
-3.9213
eV/atom
Volume/atom
17.98
ų
c/a Ratio
2.4064
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0034
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
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
0.521
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075622
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075622, 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_Mg5Si9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71584500
_cell_length_b 6.71580760
_cell_length_c 13.75459306
_cell_angle_alpha 82.95182021
_cell_angle_beta 82.65531800
_cell_angle_gamma 74.96592093
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 503.52008557
_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 0.01715100 0.52642700 0.69929900 1.0
Mg Mg1 1 0.03781200 0.13822000 0.39923800 1.0
Mg Mg2 1 0.59854100 0.86391200 0.53649200 1.0
Mg Mg3 1 0.49810600 0.24980600 0.37361600 1.0
Mg Mg4 1 0.63983300 0.33006700 0.59710100 1.0
Mg Mg5 1 0.15813700 0.63759900 0.46616000 1.0
Mg Mg6 1 0.94444600 0.40103300 0.01135600 1.0
Mg Mg7 1 0.15056500 0.73620000 0.87810800 1.0
Mg Mg8 1 0.48339800 0.18704100 0.15840700 1.0
Mg Mg9 1 0.39644900 0.00276100 0.98197800 1.0
Si Si10 1 0.24534800 0.63175900 0.09702900 1.0
Si Si11 1 0.68861200 0.69522900 0.87047400 1.0
Si Si12 1 0.90945000 0.86065200 0.30495900 1.0
Si Si13 1 0.30145300 0.99348900 0.70976600 1.0
Si Si14 1 0.47921200 0.85196500 0.31529700 1.0
Si Si15 1 0.72012300 0.04296500 0.77594300 1.0
Si Si16 1 0.80102600 0.39202500 0.22546600 1.0
Si Si17 1 0.37136300 0.32972200 0.82336200 1.0
Si Si18 1 0.04282700 0.07456500 0.16088300 1.0
Si Si19 1 0.98190800 0.95146100 0.61412400 1.0
Si Si20 1 0.03059100 0.15666400 0.84997500 1.0
Si Si21 1 0.88451100 0.89627200 0.04953500 1.0
Si Si22 1 0.12977200 0.50595800 0.26914000 1.0
Si Si23 1 0.52291400 0.63274800 0.72396000 1.0
Si Si24 1 0.58465000 0.72351700 0.15338400 1.0
Si Si25 1 0.47741300 0.40277100 0.97598000 1.0
Si Si26 1 0.21382600 0.22723000 0.55827400 1.0
Si Si27 1 0.69050000 0.55804500 0.42052700 1.0
