Mg9Si5
Traditional Materials TRAMP-ID: mp-1074062 · Space group: P1 (#1)
Basic Information
Formula
Mg9Si5
MP-ID
mp-1074062
Elements
2
Sites
28
Density
2.1297
g/cm³
Volume
560.10
ų
Cell a
6.9785
Å
Cell b
7.5236
Å
Cell c
12.6342
Å
α Angle
90.76
°
β Angle
105.19
°
γ Angle
117.62
°
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 |
|---|---|---|---|
| 7.34 | 12.0404 | 2.0 | (0,0,1) |
| 14.28 | 6.2018 | 4.9 | (0,1,-1) |
| 14.60 | 6.0676 | 11.9 | (1,0,-1) |
| 14.71 | 6.0202 | 7.0 | (0,0,2) |
| 15.03 | 5.8929 | 14.4 | (1,0,0) |
| 16.33 | 5.4271 | 4.5 | (0,1,1) |
| 18.34 | 4.8384 | 1.1 | (0,1,-2) |
| 18.66 | 4.7551 | 3.5 | (1,0,1) |
| 18.91 | 4.6935 | 3.9 | (1,-1,-2) |
| 21.52 | 4.1302 | 4.9 | (0,1,2) |
| 22.15 | 4.0135 | 5.4 | (0,0,3) |
| 22.42 | 3.9647 | 5.2 | (1,-1,2) |
| 22.72 | 3.9139 | 1.4 | (1,0,-3) |
| 23.74 | 3.7479 | 9.8 | (1,-2,0) |
| 23.75 | 3.7470 | 1.6 | (1,1,-1) |
| 24.08 | 3.6953 | 2.3 | (0,1,-3) |
| 24.12 | 3.6897 | 1.1 | (1,0,2) |
| 24.43 | 3.6435 | 1.9 | (1,-1,-3) |
| 24.68 | 3.6076 | 6.2 | (1,1,0) |
| 24.79 | 3.5919 | 2.2 | (1,-2,-1) |
| 24.97 | 3.5654 | 3.4 | (1,-2,1) |
| 25.09 | 3.5487 | 3.1 | (1,1,-2) |
| 25.53 | 3.4889 | 7.1 | (2,-1,-1) |
| 26.49 | 3.3644 | 2.7 | (2,-1,0) |
Energy Properties
Formation Energy/atom
0.06560
eV/atom
Energy/atom
-2.92017
eV/atom
Energy above Hull
0.1703
eV/atom
Uncorrected Energy
-2.9455
eV/atom
Volume/atom
20.00
ų
c/a Ratio
1.8104
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0023
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
0.785
Family
Mg-based Alloy
Matrix Element
Mg · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074062
Reference Citation
The crystal structure and related material properties of Mg9Si5 were obtained from the Materials Project database (MP-ID: mp-1074062, 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_Mg9Si5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97849600
_cell_length_b 7.52356659
_cell_length_c 12.63418257
_cell_angle_alpha 90.75842168
_cell_angle_beta 105.19081314
_cell_angle_gamma 117.62475548
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg9Si5
_chemical_formula_sum 'Mg18 Si10'
_cell_volume 560.09503733
_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 0.10616100 0.78063200 0.64665600 1.0
Mg Mg1 1 0.63377100 0.04309900 0.57470500 1.0
Mg Mg2 1 0.00237000 0.36459200 0.49269900 1.0
Mg Mg3 1 0.15293200 0.76178600 0.41024400 1.0
Mg Mg4 1 0.49790200 0.65671700 0.64034400 1.0
Mg Mg5 1 0.52896700 0.36851200 0.41118400 1.0
Mg Mg6 1 0.75837900 0.08369700 0.10862100 1.0
Mg Mg7 1 0.28334300 0.93803700 0.93040200 1.0
Mg Mg8 1 0.96449200 0.69796600 0.10085300 1.0
Mg Mg9 1 0.02768900 0.37084100 0.96511100 1.0
Mg Mg10 1 0.38346300 0.28005000 0.10694300 1.0
Mg Mg11 1 0.46721100 0.62791900 0.90732600 1.0
Mg Mg12 1 0.48606600 0.99480200 0.28179100 1.0
Mg Mg13 1 0.61020300 0.04401800 0.80505600 1.0
Mg Mg14 1 0.19451600 0.46668100 0.25332400 1.0
Mg Mg15 1 0.82491500 0.59459400 0.82626300 1.0
Mg Mg16 1 0.70736800 0.71765400 0.25868800 1.0
Mg Mg17 1 0.32619100 0.23670000 0.69897800 1.0
Si Si18 1 0.11368500 0.06179600 0.28059800 1.0
Si Si19 1 0.97388100 0.99430700 0.46097600 1.0
Si Si20 1 0.93670100 0.98858700 0.76066500 1.0
Si Si21 1 0.93175600 0.97043300 0.95702100 1.0
Si Si22 1 0.79190200 0.39861000 0.27226800 1.0
Si Si23 1 0.03447700 0.36138500 0.74680900 1.0
Si Si24 1 0.36923800 0.71193500 0.09844000 1.0
Si Si25 1 0.60477700 0.32724800 0.94597500 1.0
Si Si26 1 0.73362300 0.41216700 0.62515200 1.0
Si Si27 1 0.55403500 0.74521800 0.43265800 1.0
