Mg5Si9
Traditional Materials TRAMP-ID: mp-1075616 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075616
Elements
2
Sites
28
Density
2.5319
g/cm³
Volume
490.96
ų
Cell a
5.7494
Å
Cell b
7.2385
Å
Cell c
12.6728
Å
α Angle
84.94
°
β Angle
78.30
°
γ Angle
71.99
°
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 |
|---|---|---|---|
| 7.13 | 12.4050 | 10.0 | (0,0,1) |
| 12.86 | 6.8813 | 1.0 | (0,1,0) |
| 14.28 | 6.2025 | 12.9 | (0,0,2) |
| 14.55 | 6.0887 | 3.2 | (0,1,1) |
| 14.89 | 5.9487 | 1.5 | (0,1,-1) |
| 16.50 | 5.3732 | 4.8 | (1,0,0) |
| 17.65 | 5.0250 | 1.2 | (1,1,0) |
| 17.72 | 5.0062 | 1.1 | (1,1,1) |
| 19.18 | 4.6278 | 1.7 | (1,0,-1) |
| 19.53 | 4.5456 | 8.1 | (0,1,-2) |
| 20.31 | 4.3726 | 8.5 | (1,1,-1) |
| 20.48 | 4.3357 | 7.1 | (1,1,2) |
| 23.83 | 3.7334 | 1.7 | (1,0,-2) |
| 23.86 | 3.7292 | 1.8 | (1,-1,0) |
| 24.61 | 3.6167 | 5.1 | (1,0,3) |
| 24.81 | 3.5880 | 2.0 | (0,1,3) |
| 24.87 | 3.5806 | 1.3 | (1,1,-2) |
| 25.11 | 3.5469 | 6.6 | (1,1,3) |
| 25.43 | 3.5022 | 10.7 | (0,1,-3) |
| 26.20 | 3.4008 | 8.1 | (1,2,1) |
| 26.45 | 3.3696 | 2.7 | (1,-1,2) |
| 28.24 | 3.1600 | 2.0 | (1,2,-1) |
| 28.79 | 3.1012 | 3.1 | (0,0,4) |
| 29.31 | 3.0467 | 1.3 | (1,-1,-2) |
Energy Properties
Formation Energy/atom
0.24660
eV/atom
Energy/atom
-3.82342
eV/atom
Energy above Hull
0.3048
eV/atom
Uncorrected Energy
-3.8691
eV/atom
Volume/atom
17.53
ų
c/a Ratio
2.2042
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0008
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
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075616
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075616, 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 5.74939600
_cell_length_b 7.23844599
_cell_length_c 12.67276772
_cell_angle_alpha 84.93965895
_cell_angle_beta 78.30335334
_cell_angle_gamma 71.99218323
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 490.96396027
_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 0.08253000 0.93992500 0.70848500 1.0
Mg Mg1 1 0.14398800 0.99512900 0.45393100 1.0
Mg Mg2 1 0.98219100 0.63802400 0.55659800 1.0
Mg Mg3 1 0.91936600 0.43722700 0.37695300 1.0
Mg Mg4 1 0.47083700 0.62630700 0.57095000 1.0
Mg Mg5 1 0.48531500 0.25028500 0.43449200 1.0
Mg Mg6 1 0.13453200 0.09726400 0.06818500 1.0
Mg Mg7 1 0.47631300 0.13495100 0.83464100 1.0
Mg Mg8 1 0.62228300 0.60744600 0.01363000 1.0
Mg Mg9 1 0.94015200 0.25863700 0.87156000 1.0
Si Si10 1 0.66130400 0.36295600 0.21373200 1.0
Si Si11 1 0.20743800 0.47356400 0.97384000 1.0
Si Si12 1 0.67786400 0.84174000 0.40431100 1.0
Si Si13 1 0.21468500 0.28016600 0.65154800 1.0
Si Si14 1 0.32064900 0.19599600 0.23669500 1.0
Si Si15 1 0.69535800 0.75637900 0.77926700 1.0
Si Si16 1 0.26062200 0.74424000 0.20329000 1.0
Si Si17 1 0.60275300 0.46241600 0.75667300 1.0
Si Si18 1 0.64136700 0.86817100 0.17206800 1.0
Si Si19 1 0.58275200 0.98129900 0.60878000 1.0
Si Si20 1 0.22865400 0.83419000 0.90901100 1.0
Si Si21 1 0.57081200 0.24391600 0.05004800 1.0
Si Si22 1 0.92585300 0.04249000 0.27898600 1.0
Si Si23 1 0.15430200 0.55443700 0.77368300 1.0
Si Si24 1 0.78450000 0.92725200 0.97375300 1.0
Si Si25 1 0.00305200 0.54665600 0.16191600 1.0
Si Si26 1 0.82581200 0.27212800 0.59350400 1.0
Si Si27 1 0.38458600 0.62677500 0.36922100 1.0
