Mg5Si9
Traditional Materials TRAMP-ID: mp-1075717 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075717
Elements
2
Sites
28
Density
2.4033
g/cm³
Volume
517.23
ų
Cell a
13.5844
Å
Cell b
6.8610
Å
Cell c
6.0534
Å
α Angle
73.17
°
β Angle
101.60
°
γ Angle
104.77
°
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 |
|---|---|---|---|
| 6.79 | 13.0107 | 37.3 | (1,0,0) |
| 13.61 | 6.5054 | 6.2 | (2,0,0) |
| 13.79 | 6.4212 | 2.3 | (0,1,0) |
| 15.44 | 5.7391 | 27.0 | (0,0,1) |
| 16.00 | 5.5400 | 4.3 | (1,0,-1) |
| 16.63 | 5.3314 | 27.2 | (1,1,0) |
| 17.25 | 5.1407 | 38.9 | (2,-1,0) |
| 17.32 | 5.1187 | 5.5 | (1,-1,-1) |
| 17.73 | 5.0028 | 8.9 | (1,0,1) |
| 19.16 | 4.6315 | 1.2 | (2,0,-1) |
| 19.28 | 4.6038 | 4.6 | (2,-1,-1) |
| 20.94 | 4.2417 | 2.7 | (1,1,1) |
| 21.39 | 4.1549 | 2.0 | (2,1,0) |
| 22.02 | 4.0369 | 14.5 | (2,0,1) |
| 22.20 | 4.0046 | 3.7 | (3,-1,0) |
| 23.20 | 3.8345 | 17.7 | (3,-1,-1) |
| 23.24 | 3.8274 | 2.9 | (0,1,-1) |
| 23.96 | 3.7147 | 4.0 | (3,0,-1) |
| 24.02 | 3.7054 | 4.7 | (1,-1,1) |
| 24.46 | 3.6392 | 10.0 | (1,1,-1) |
| 25.51 | 3.4919 | 14.6 | (2,1,1) |
| 27.08 | 3.2923 | 12.5 | (1,-2,-1) |
| 27.12 | 3.2883 | 2.8 | (3,1,0) |
| 27.18 | 3.2813 | 1.8 | (1,-2,0) |
Energy Properties
Formation Energy/atom
0.20869
eV/atom
Energy/atom
-3.86133
eV/atom
Energy above Hull
0.2669
eV/atom
Uncorrected Energy
-3.9070
eV/atom
Volume/atom
18.47
ų
c/a Ratio
0.4456
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0017
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
0.511
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075717
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075717, 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 13.58444241
_cell_length_b 6.86101533
_cell_length_c 6.05335021
_cell_angle_alpha 73.17335354
_cell_angle_beta 101.60463132
_cell_angle_gamma 104.76773999
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 517.22796248
_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 0.69032400 0.21799300 0.41048200 1.0
Mg Mg1 1 0.40646300 0.59586600 0.76295100 1.0
Mg Mg2 1 0.53813400 0.36773700 0.62239200 1.0
Mg Mg3 1 0.40065000 0.66767900 0.23880000 1.0
Mg Mg4 1 0.60628000 0.96587700 0.96053400 1.0
Mg Mg5 1 0.45213400 0.13607800 0.20445500 1.0
Mg Mg6 1 0.12442600 0.46434700 0.54104000 1.0
Mg Mg7 1 0.92613100 0.64559200 0.17269300 1.0
Mg Mg8 1 0.08587100 0.98331900 0.49392800 1.0
Mg Mg9 1 0.75928800 0.74280900 0.40189100 1.0
Si Si10 1 0.13448000 0.81781700 0.14991700 1.0
Si Si11 1 0.88563600 0.43107100 0.59733700 1.0
Si Si12 1 0.33040500 0.24553200 0.44418500 1.0
Si Si13 1 0.68570800 0.66728300 0.84317000 1.0
Si Si14 1 0.25503700 0.13693000 0.80334200 1.0
Si Si15 1 0.82192000 0.93175400 0.94845100 1.0
Si Si16 1 0.21222800 0.73169600 0.84759000 1.0
Si Si17 1 0.82850000 0.17320800 0.17668900 1.0
Si Si18 1 0.24388700 0.36955800 0.03155300 1.0
Si Si19 1 0.57509700 0.51628400 0.13712600 1.0
Si Si20 1 0.92425100 0.09247400 0.64188600 1.0
Si Si21 1 0.07628700 0.13638900 0.96981600 1.0
Si Si22 1 0.28333300 0.86411700 0.44959300 1.0
Si Si23 1 0.74360300 0.36490400 0.81480500 1.0
Si Si24 1 0.02111600 0.61391200 0.83510700 1.0
Si Si25 1 0.01086600 0.31334400 0.17491500 1.0
Si Si26 1 0.57410200 0.82251800 0.50469700 1.0
Si Si27 1 0.40365300 0.98396600 0.82053800 1.0
