Mg5Si9
Traditional Materials TRAMP-ID: mp-1075610 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075610
Elements
2
Sites
28
Density
2.5375
g/cm³
Volume
489.88
ų
Cell a
5.4884
Å
Cell b
7.1611
Å
Cell c
13.7692
Å
α Angle
77.87
°
β Angle
85.40
°
γ Angle
67.80
°
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 |
|---|---|---|---|
| 6.57 | 13.4620 | 22.8 | (0,0,1) |
| 13.15 | 6.7310 | 12.1 | (0,0,2) |
| 13.62 | 6.5033 | 9.7 | (0,1,0) |
| 13.92 | 6.3611 | 4.0 | (0,1,1) |
| 16.25 | 5.4545 | 1.2 | (0,1,-1) |
| 17.01 | 5.2116 | 27.6 | (0,1,2) |
| 17.73 | 5.0029 | 1.7 | (1,1,0) |
| 18.66 | 4.7556 | 2.8 | (1,0,1) |
| 18.67 | 4.7527 | 2.9 | (1,0,-1) |
| 19.78 | 4.4873 | 12.7 | (0,0,3) |
| 19.84 | 4.4744 | 4.1 | (1,1,-1) |
| 20.46 | 4.3407 | 2.7 | (1,1,2) |
| 20.76 | 4.2790 | 9.8 | (0,1,-2) |
| 21.76 | 4.0839 | 7.6 | (0,1,3) |
| 21.93 | 4.0538 | 3.8 | (1,0,-2) |
| 23.70 | 3.7535 | 5.1 | (1,1,-2) |
| 24.57 | 3.6230 | 2.2 | (1,1,3) |
| 25.94 | 3.4343 | 3.2 | (1,-1,0) |
| 25.99 | 3.4287 | 4.6 | (1,2,1) |
| 26.11 | 3.4123 | 2.2 | (1,-1,-1) |
| 26.23 | 3.3971 | 2.6 | (0,1,-3) |
| 26.48 | 3.3655 | 4.0 | (0,0,4) |
| 26.49 | 3.3652 | 3.9 | (1,0,3) |
| 26.51 | 3.3620 | 4.3 | (1,0,-3) |
Energy Properties
Formation Energy/atom
0.24734
eV/atom
Energy/atom
-3.82268
eV/atom
Energy above Hull
0.3055
eV/atom
Uncorrected Energy
-3.8683
eV/atom
Volume/atom
17.50
ų
c/a Ratio
2.5088
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0011
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
0.489
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075610
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075610, 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 5.48836100
_cell_length_b 7.16104873
_cell_length_c 13.76919105
_cell_angle_alpha 77.87493083
_cell_angle_beta 85.39905784
_cell_angle_gamma 67.80183448
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 489.87502342
_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 0.86219900 0.71985300 0.67901500 1.0
Mg Mg1 1 0.89412700 0.28069700 0.41807500 1.0
Mg Mg2 1 0.47649700 0.56530600 0.55116400 1.0
Mg Mg3 1 0.38015600 0.31157700 0.41783200 1.0
Mg Mg4 1 0.24694100 0.97888300 0.61531300 1.0
Mg Mg5 1 0.86180900 0.83925500 0.44675500 1.0
Mg Mg6 1 0.31182300 0.66170400 0.13359200 1.0
Mg Mg7 1 0.95646400 0.42451800 0.87008700 1.0
Mg Mg8 1 0.62187500 0.94175300 0.15101100 1.0
Mg Mg9 1 0.54634300 0.17246500 0.92258400 1.0
Si Si10 1 0.77475600 0.28264300 0.05811400 1.0
Si Si11 1 0.43453600 0.58289600 0.94554000 1.0
Si Si12 1 0.09854500 0.95352600 0.25506500 1.0
Si Si13 1 0.84173500 0.25953900 0.71940100 1.0
Si Si14 1 0.53355400 0.64423900 0.32206600 1.0
Si Si15 1 0.29562900 0.27459200 0.71951300 1.0
Si Si16 1 0.21354900 0.28580800 0.22974700 1.0
Si Si17 1 0.51367400 0.88815400 0.82948600 1.0
Si Si18 1 0.98483600 0.62388600 0.29185600 1.0
Si Si19 1 0.02864100 0.44238700 0.56340400 1.0
Si Si20 1 0.97354600 0.88633700 0.83173100 1.0
Si Si21 1 0.10754600 0.98383400 0.97446900 1.0
Si Si22 1 0.67034400 0.26045400 0.23715700 1.0
Si Si23 1 0.41089100 0.57480900 0.76470400 1.0
Si Si24 1 0.15811000 0.38394300 0.04953400 1.0
Si Si25 1 0.79244600 0.72610200 0.99752300 1.0
Si Si26 1 0.68343200 0.11795600 0.59310400 1.0
Si Si27 1 0.32607500 0.93286400 0.41196400 1.0
