Mg5Si9
Traditional Materials TRAMP-ID: mp-1075715 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075715
Elements
2
Sites
28
Density
2.2694
g/cm³
Volume
547.76
ų
Cell a
6.8711
Å
Cell b
7.1745
Å
Cell c
12.8113
Å
α Angle
83.93
°
β Angle
77.00
°
γ Angle
62.89
°
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 |
|---|---|---|---|
| 7.08 | 12.4828 | 15.6 | (0,0,1) |
| 13.87 | 6.3862 | 4.7 | (0,1,0) |
| 14.19 | 6.2414 | 42.1 | (0,0,2) |
| 15.07 | 5.8802 | 8.9 | (1,0,1) |
| 15.11 | 5.8653 | 26.2 | (1,1,0) |
| 15.36 | 5.7685 | 10.5 | (1,1,1) |
| 15.56 | 5.6942 | 6.3 | (0,1,1) |
| 15.61 | 5.6767 | 11.1 | (0,1,-1) |
| 17.65 | 5.0253 | 9.2 | (1,0,-1) |
| 17.94 | 4.9435 | 11.9 | (1,1,-1) |
| 18.36 | 4.8317 | 9.3 | (1,0,2) |
| 18.58 | 4.7743 | 5.0 | (1,1,2) |
| 19.85 | 4.4722 | 23.1 | (0,1,2) |
| 19.93 | 4.4552 | 9.3 | (0,1,-2) |
| 21.35 | 4.1609 | 2.2 | (0,0,3) |
| 22.53 | 3.9470 | 31.5 | (1,0,-2) |
| 22.78 | 3.9042 | 3.2 | (1,1,-2) |
| 23.47 | 3.7909 | 3.0 | (1,0,3) |
| 23.63 | 3.7655 | 14.8 | (1,1,3) |
| 24.48 | 3.6357 | 31.3 | (1,-1,0) |
| 24.68 | 3.6078 | 43.4 | (1,-1,1) |
| 25.08 | 3.5504 | 2.3 | (1,2,0) |
| 25.22 | 3.5306 | 15.1 | (1,2,1) |
| 25.51 | 3.4923 | 35.8 | (0,1,3) |
Energy Properties
Formation Energy/atom
0.17159
eV/atom
Energy/atom
-3.89842
eV/atom
Energy above Hull
0.2298
eV/atom
Uncorrected Energy
-3.9441
eV/atom
Volume/atom
19.56
ų
c/a Ratio
1.8645
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0006
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
0.536
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075715
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075715, 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 6.87113400
_cell_length_b 7.17450530
_cell_length_c 12.81128801
_cell_angle_alpha 83.92668539
_cell_angle_beta 76.99962704
_cell_angle_gamma 62.89040384
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 547.75952429
_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 0.45877700 0.05634300 0.27778700 1.0
Mg Mg1 1 0.83171600 0.91473500 0.55491100 1.0
Mg Mg2 1 0.10384500 0.40723100 0.46247500 1.0
Mg Mg3 1 0.65445800 0.54421800 0.63514300 1.0
Mg Mg4 1 0.60830600 0.36438500 0.43707000 1.0
Mg Mg5 1 0.31505500 0.94253800 0.52850100 1.0
Mg Mg6 1 0.80373900 0.77266600 0.82992500 1.0
Mg Mg7 1 0.35048900 0.80963200 0.10123600 1.0
Mg Mg8 1 0.21229400 0.18096900 0.89093700 1.0
Mg Mg9 1 0.91525900 0.58578000 0.05155500 1.0
Si Si10 1 0.33688300 0.71572100 0.85728500 1.0
Si Si11 1 0.51037400 0.34927400 0.10320000 1.0
Si Si12 1 0.07911600 0.25614700 0.69217600 1.0
Si Si13 1 0.00408900 0.81061800 0.29419700 1.0
Si Si14 1 0.23622400 0.49069500 0.75366800 1.0
Si Si15 1 0.96382100 0.27400300 0.21995200 1.0
Si Si16 1 0.60371000 0.18516500 0.72095300 1.0
Si Si17 1 0.64661100 0.61516600 0.25300700 1.0
Si Si18 1 0.82182100 0.19017300 0.83879200 1.0
Si Si19 1 0.03669700 0.07797100 0.38159400 1.0
Si Si20 1 0.84782800 0.05820700 0.14741000 1.0
Si Si21 1 0.97703500 0.92073500 0.96828400 1.0
Si Si22 1 0.44564700 0.93198900 0.71844900 1.0
Si Si23 1 0.35843700 0.50181900 0.27477300 1.0
Si Si24 1 0.27250700 0.21393700 0.07890300 1.0
Si Si25 1 0.63941600 0.50361600 0.94651900 1.0
Si Si26 1 0.72667000 0.71759700 0.40569200 1.0
Si Si27 1 0.23882700 0.60881200 0.57584400 1.0
