Mg9Si5
Traditional Materials TRAMP-ID: mp-1074063 · Space group: P1 (#1)
Basic Information
Formula
Mg9Si5
MP-ID
mp-1074063
Elements
2
Sites
28
Density
2.0318
g/cm³
Volume
587.10
ų
Cell a
6.8852
Å
Cell b
7.3589
Å
Cell c
13.0145
Å
α Angle
94.65
°
β Angle
89.24
°
γ Angle
116.67
°
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 |
|---|---|---|---|
| 6.82 | 12.9674 | 6.7 | (0,0,1) |
| 13.51 | 6.5525 | 24.0 | (0,1,0) |
| 13.66 | 6.4837 | 12.5 | (0,0,2) |
| 14.40 | 6.1504 | 4.1 | (1,0,0) |
| 14.63 | 6.0566 | 2.9 | (0,1,-1) |
| 14.67 | 6.0382 | 3.2 | (1,-1,0) |
| 15.66 | 5.6601 | 3.4 | (0,1,1) |
| 15.79 | 5.6137 | 6.9 | (1,0,-1) |
| 15.87 | 5.5860 | 5.5 | (1,-1,1) |
| 16.11 | 5.5021 | 2.9 | (1,0,1) |
| 16.51 | 5.3682 | 1.7 | (1,-1,-1) |
| 18.42 | 4.8154 | 4.1 | (0,1,-2) |
| 19.56 | 4.5379 | 7.7 | (1,-1,2) |
| 19.64 | 4.5211 | 1.2 | (1,0,-2) |
| 20.06 | 4.4267 | 1.7 | (0,1,2) |
| 20.55 | 4.3225 | 6.3 | (0,0,3) |
| 20.61 | 4.3086 | 3.6 | (1,-1,-2) |
| 23.69 | 3.7560 | 14.7 | (0,1,-3) |
| 23.88 | 3.7261 | 6.1 | (1,1,0) |
| 24.38 | 3.6515 | 1.5 | (1,-2,0) |
| 24.43 | 3.6431 | 13.7 | (1,1,-1) |
| 24.70 | 3.6045 | 6.4 | (1,-1,3) |
| 24.81 | 3.5888 | 19.2 | (1,-2,1) |
| 24.87 | 3.5804 | 1.3 | (1,0,-3) |
Energy Properties
Formation Energy/atom
0.07357
eV/atom
Energy/atom
-2.91220
eV/atom
Energy above Hull
0.1783
eV/atom
Uncorrected Energy
-2.9376
eV/atom
Volume/atom
20.97
ų
c/a Ratio
1.8902
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0007
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
Mg · 0.643
Element Family
N/A
Solute Fraction
0.357
Interstitial Fraction
0.357
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.780
Family
Mg-based Alloy
Matrix Element
Mg · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074063
Reference Citation
The crystal structure and related material properties of Mg9Si5 were obtained from the Materials Project database (MP-ID: mp-1074063, 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_Mg9Si5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.88516300
_cell_length_b 7.35885731
_cell_length_c 13.01450183
_cell_angle_alpha 94.64589559
_cell_angle_beta 89.23959858
_cell_angle_gamma 116.67296501
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg9Si5
_chemical_formula_sum 'Mg18 Si10'
_cell_volume 587.09978750
_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 0.36941800 0.06498000 0.68148100 1.0
Mg Mg1 1 0.72754900 0.05875300 0.46735400 1.0
Mg Mg2 1 0.12924100 0.64104400 0.53944300 1.0
Mg Mg3 1 0.83251100 0.66571500 0.36192900 1.0
Mg Mg4 1 0.70989600 0.71163700 0.59995200 1.0
Mg Mg5 1 0.46997500 0.31625500 0.47368300 1.0
Mg Mg6 1 0.79386200 0.12463400 0.11872400 1.0
Mg Mg7 1 0.35606600 0.98655000 0.94027800 1.0
Mg Mg8 1 0.83199800 0.57530600 0.03611900 1.0
Mg Mg9 1 0.81884900 0.21674300 0.89167600 1.0
Mg Mg10 1 0.40394100 0.23050000 0.15727100 1.0
Mg Mg11 1 0.28173100 0.48796500 0.01406500 1.0
Mg Mg12 1 0.31289100 0.92236800 0.33300900 1.0
Mg Mg13 1 0.95807300 0.14604300 0.67603900 1.0
Mg Mg14 1 0.10303200 0.28505400 0.32542600 1.0
Mg Mg15 1 0.11714900 0.59299100 0.78109100 1.0
Mg Mg16 1 0.53081300 0.69176200 0.20959500 1.0
Mg Mg17 1 0.61434100 0.49625100 0.80609500 1.0
Si Si18 1 0.98954700 0.90679600 0.20112600 1.0
Si Si19 1 0.08663800 0.99144100 0.50716500 1.0
Si Si20 1 0.96933200 0.87739800 0.83978400 1.0
Si Si21 1 0.66332500 0.82006400 0.95241100 1.0
Si Si22 1 0.70634100 0.26755900 0.30732900 1.0
Si Si23 1 0.55580100 0.84864700 0.77037600 1.0
Si Si24 1 0.25222700 0.81201300 0.11792300 1.0
Si Si25 1 0.21058100 0.23666900 0.84387600 1.0
Si Si26 1 0.76750600 0.37653000 0.62950100 1.0
Si Si27 1 0.43741400 0.64829900 0.41702000 1.0
