Mg5Si9
Traditional Materials TRAMP-ID: mp-1075723 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075723
Elements
2
Sites
28
Density
2.5664
g/cm³
Volume
484.37
ų
Cell a
5.4170
Å
Cell b
7.4584
Å
Cell c
13.0714
Å
α Angle
79.97
°
β Angle
79.46
°
γ Angle
70.02
°
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 |
|---|---|---|---|
| 6.93 | 12.7566 | 38.3 | (0,0,1) |
| 12.72 | 6.9580 | 3.1 | (0,1,0) |
| 13.88 | 6.3783 | 2.5 | (0,0,2) |
| 15.22 | 5.8200 | 11.2 | (0,1,-1) |
| 17.69 | 5.0132 | 4.6 | (0,1,2) |
| 17.96 | 4.9398 | 3.0 | (1,1,1) |
| 18.02 | 4.9217 | 2.3 | (1,0,1) |
| 18.12 | 4.8968 | 4.9 | (1,1,0) |
| 19.77 | 4.4913 | 1.3 | (1,0,-1) |
| 20.36 | 4.3624 | 4.9 | (1,1,2) |
| 20.78 | 4.2750 | 2.5 | (1,1,-1) |
| 20.89 | 4.2522 | 6.1 | (0,0,3) |
| 23.16 | 3.8407 | 1.8 | (0,1,3) |
| 23.90 | 3.7228 | 1.7 | (1,0,-2) |
| 24.61 | 3.6177 | 1.4 | (1,1,3) |
| 25.19 | 3.5351 | 4.5 | (1,1,-2) |
| 25.61 | 3.4790 | 1.8 | (0,2,0) |
| 25.84 | 3.4477 | 1.9 | (0,1,-3) |
| 26.87 | 3.3180 | 1.0 | (1,2,2) |
| 27.37 | 3.2580 | 1.1 | (0,2,-1) |
| 27.98 | 3.1891 | 1.4 | (0,0,4) |
| 28.39 | 3.1439 | 1.2 | (1,2,-1) |
| 29.02 | 3.0773 | 5.9 | (1,-1,-2) |
| 29.22 | 3.0567 | 4.0 | (1,0,-3) |
Energy Properties
Formation Energy/atom
0.23990
eV/atom
Energy/atom
-3.83011
eV/atom
Energy above Hull
0.2981
eV/atom
Uncorrected Energy
-3.8758
eV/atom
Volume/atom
17.30
ų
c/a Ratio
2.4130
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
0.490
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075723
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075723, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Mg5Si9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41702400
_cell_length_b 7.45840249
_cell_length_c 13.07139752
_cell_angle_alpha 79.96930950
_cell_angle_beta 79.45699122
_cell_angle_gamma 70.01786877
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 484.36750942
_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 0.74935300 0.93357100 0.28720900 1.0
Mg Mg1 1 0.88265700 0.83131600 0.51078600 1.0
Mg Mg2 1 0.93868200 0.40714700 0.45431500 1.0
Mg Mg3 1 0.71902500 0.50185700 0.68982300 1.0
Mg Mg4 1 0.52591600 0.26791400 0.39925700 1.0
Mg Mg5 1 0.25484500 0.03392000 0.59118400 1.0
Mg Mg6 1 0.61736000 0.89297600 0.94124300 1.0
Mg Mg7 1 0.31105600 0.90488100 0.16505200 1.0
Mg Mg8 1 0.29351200 0.24359500 0.78669600 1.0
Mg Mg9 1 0.98963900 0.66588300 0.10192300 1.0
Si Si10 1 0.33389800 0.67298300 0.88094700 1.0
Si Si11 1 0.58152100 0.53008100 0.05919000 1.0
Si Si12 1 0.89590600 0.08424700 0.77723000 1.0
Si Si13 1 0.17016500 0.61028600 0.29688300 1.0
Si Si14 1 0.11704100 0.71575900 0.72173600 1.0
Si Si15 1 0.84999200 0.29482900 0.20484600 1.0
Si Si16 1 0.67855700 0.18928900 0.60162200 1.0
Si Si17 1 0.61956500 0.60828800 0.29831600 1.0
Si Si18 1 0.64882300 0.32634500 0.90697300 1.0
Si Si19 1 0.18415900 0.04840400 0.36024200 1.0
Si Si20 1 0.69917900 0.10439100 0.09105200 1.0
Si Si21 1 0.06679900 0.99700600 0.95083200 1.0
Si Si22 1 0.63723400 0.87526600 0.73256200 1.0
Si Si23 1 0.29832800 0.31463800 0.20749000 1.0
Si Si24 1 0.25257200 0.22885900 0.00856700 1.0
Si Si25 1 0.96502800 0.52505900 0.91248000 1.0
Si Si26 1 0.45041000 0.72128400 0.47349600 1.0
Si Si27 1 0.26837600 0.47008500 0.58828700 1.0
