Mg5Si9
Traditional Materials TRAMP-ID: mp-1075742 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075742
Elements
2
Sites
28
Density
2.4437
g/cm³
Volume
508.68
ų
Cell a
6.1245
Å
Cell b
7.4403
Å
Cell c
13.1232
Å
α Angle
76.88
°
β Angle
78.09
°
γ Angle
112.50
°
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 |
|---|---|---|---|
| 7.32 | 12.0828 | 19.2 | (0,0,1) |
| 13.16 | 6.7284 | 10.0 | (0,1,1) |
| 14.66 | 6.0414 | 3.4 | (0,0,2) |
| 16.05 | 5.5221 | 2.2 | (1,-1,0) |
| 16.34 | 5.4252 | 3.4 | (0,1,2) |
| 16.57 | 5.3495 | 9.3 | (1,0,0) |
| 17.34 | 5.1150 | 1.7 | (1,-1,1) |
| 17.61 | 5.0370 | 1.3 | (0,1,-1) |
| 17.98 | 4.9348 | 1.4 | (1,-1,-1) |
| 18.22 | 4.8693 | 2.8 | (1,0,2) |
| 20.23 | 4.3905 | 1.7 | (1,0,-1) |
| 21.28 | 4.1757 | 2.1 | (1,-1,2) |
| 21.69 | 4.0975 | 7.8 | (0,1,3) |
| 22.07 | 4.0276 | 2.2 | (0,0,3) |
| 22.32 | 3.9831 | 1.4 | (1,-1,-2) |
| 22.91 | 3.8825 | 2.9 | (1,0,3) |
| 24.94 | 3.5704 | 3.0 | (1,-2,0) |
| 25.96 | 3.4320 | 4.9 | (1,1,0) |
| 26.00 | 3.4273 | 2.0 | (0,2,1) |
| 26.79 | 3.3276 | 5.7 | (1,1,3) |
| 26.95 | 3.3084 | 3.5 | (1,-2,-2) |
| 27.58 | 3.2341 | 2.2 | (0,2,0) |
| 28.05 | 3.1807 | 1.6 | (0,1,4) |
| 29.84 | 2.9943 | 3.1 | (0,1,-3) |
Energy Properties
Formation Energy/atom
0.22863
eV/atom
Energy/atom
-3.84138
eV/atom
Energy above Hull
0.2868
eV/atom
Uncorrected Energy
-3.8870
eV/atom
Volume/atom
18.17
ų
c/a Ratio
2.1427
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0054
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
0.498
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075742
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075742, 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 6.12452324
_cell_length_b 7.44031052
_cell_length_c 13.12321202
_cell_angle_alpha 76.87578991
_cell_angle_beta 78.09332677
_cell_angle_gamma 112.49973435
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 508.68144153
_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 0.42704700 0.02882700 0.71095900 1.0
Mg Mg1 1 0.16925400 0.95020300 0.43958900 1.0
Mg Mg2 1 0.93206900 0.46391100 0.53321800 1.0
Mg Mg3 1 0.30786100 0.42265500 0.30991800 1.0
Mg Mg4 1 0.10061300 0.16703400 0.61588600 1.0
Mg Mg5 1 0.64280000 0.67298800 0.42292900 1.0
Mg Mg6 1 0.49907600 0.99653000 0.04220100 1.0
Mg Mg7 1 0.61144900 0.75150900 0.83620100 1.0
Mg Mg8 1 0.00059500 0.28376900 0.06199700 1.0
Mg Mg9 1 0.11169700 0.73199000 0.97260800 1.0
Si Si10 1 0.77929500 0.80252200 0.12573300 1.0
Si Si11 1 0.42306400 0.26218200 0.87807300 1.0
Si Si12 1 0.84735900 0.13796900 0.32114100 1.0
Si Si13 1 0.97479700 0.74454700 0.67150200 1.0
Si Si14 1 0.11122700 0.70042100 0.31250400 1.0
Si Si15 1 0.81003400 0.21305400 0.80025300 1.0
Si Si16 1 0.80679700 0.46437100 0.24349800 1.0
Si Si17 1 0.08042700 0.55137600 0.81269800 1.0
Si Si18 1 0.50042300 0.24638300 0.17383700 1.0
Si Si19 1 0.72183600 0.00947800 0.52229700 1.0
Si Si20 1 0.97655800 0.03940000 0.92569700 1.0
Si Si21 1 0.07825700 0.00091000 0.21252500 1.0
Si Si22 1 0.55341300 0.92714400 0.25003000 1.0
Si Si23 1 0.56346300 0.47667800 0.68877500 1.0
Si Si24 1 0.65958200 0.44313600 0.98012500 1.0
Si Si25 1 0.41495800 0.58514200 0.07405400 1.0
Si Si26 1 0.34537500 0.66102200 0.61023200 1.0
Si Si27 1 0.55097100 0.26503700 0.45130600 1.0
