Mg5Si9
Traditional Materials TRAMP-ID: mp-1075655 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075655
Elements
2
Sites
28
Density
2.4611
g/cm³
Volume
505.08
ų
Cell a
7.9700
Å
Cell b
7.8265
Å
Cell c
9.7766
Å
α Angle
84.02
°
β Angle
90.71
°
γ Angle
123.49
°
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 |
|---|---|---|---|
| 9.11 | 9.7090 | 1.8 | (0,0,1) |
| 12.76 | 6.9395 | 23.2 | (1,-1,0) |
| 13.34 | 6.6370 | 4.7 | (1,0,0) |
| 13.66 | 6.4825 | 2.8 | (0,1,0) |
| 15.18 | 5.8368 | 24.8 | (1,-1,-1) |
| 15.53 | 5.7076 | 4.1 | (0,1,1) |
| 15.76 | 5.6234 | 3.0 | (1,0,1) |
| 16.20 | 5.4722 | 7.4 | (1,-1,1) |
| 16.58 | 5.3455 | 5.9 | (1,0,-1) |
| 17.31 | 5.1223 | 9.9 | (0,1,-1) |
| 18.28 | 4.8545 | 6.1 | (0,0,2) |
| 21.55 | 4.1235 | 1.9 | (0,1,2) |
| 21.61 | 4.1115 | 1.3 | (1,-1,-2) |
| 22.09 | 4.0239 | 2.4 | (1,0,2) |
| 22.34 | 3.9797 | 5.6 | (2,-1,0) |
| 22.92 | 3.8801 | 1.7 | (1,-2,0) |
| 23.06 | 3.8564 | 5.5 | (1,-1,2) |
| 23.28 | 3.8206 | 4.4 | (1,0,-2) |
| 23.92 | 3.7208 | 3.7 | (1,1,0) |
| 24.22 | 3.6741 | 11.3 | (2,-1,1) |
| 24.78 | 3.5934 | 1.4 | (1,1,1) |
| 25.63 | 3.4761 | 4.5 | (1,-2,1) |
| 25.67 | 3.4698 | 9.8 | (2,-2,0) |
| 26.48 | 3.3665 | 6.5 | (1,1,-1) |
Energy Properties
Formation Energy/atom
0.22971
eV/atom
Energy/atom
-3.84031
eV/atom
Energy above Hull
0.2879
eV/atom
Uncorrected Energy
-3.8860
eV/atom
Volume/atom
18.04
ų
c/a Ratio
1.2267
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0044
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
0.497
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075655
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075655, 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 7.97004093
_cell_length_b 7.82651888
_cell_length_c 9.77655944
_cell_angle_alpha 84.02180807
_cell_angle_beta 90.70969738
_cell_angle_gamma 123.49055567
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 505.07794375
_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 0.54040100 0.08379700 0.79017800 1.0
Mg Mg1 1 0.18357400 0.91368300 0.40402600 1.0
Mg Mg2 1 0.95165900 0.45589600 0.55135600 1.0
Mg Mg3 1 0.28841000 0.57435800 0.34075200 1.0
Mg Mg4 1 0.22260900 0.22193200 0.57876400 1.0
Mg Mg5 1 0.72554700 0.68487600 0.40516500 1.0
Mg Mg6 1 0.36907600 0.97153800 0.08362800 1.0
Mg Mg7 1 0.68041200 0.79259600 0.88217100 1.0
Mg Mg8 1 0.87409400 0.21945100 0.05818400 1.0
Mg Mg9 1 0.08682800 0.63367500 0.87057400 1.0
Si Si10 1 0.61224600 0.79967700 0.15817300 1.0
Si Si11 1 0.40754300 0.35664700 0.92638000 1.0
Si Si12 1 0.95438400 0.16701800 0.37304300 1.0
Si Si13 1 0.93268500 0.76807900 0.66325100 1.0
Si Si14 1 0.96858200 0.60166600 0.24145200 1.0
Si Si15 1 0.97485100 0.22601600 0.78589700 1.0
Si Si16 1 0.56384200 0.32858000 0.25923200 1.0
Si Si17 1 0.34041800 0.55110400 0.72438700 1.0
Si Si18 1 0.19865400 0.21581500 0.19399600 1.0
Si Si19 1 0.80878100 0.98971800 0.60909400 1.0
Si Si20 1 0.12548600 0.01578900 0.86699600 1.0
Si Si21 1 0.95200800 0.86527600 0.10068400 1.0
Si Si22 1 0.60065200 0.02557300 0.30698000 1.0
Si Si23 1 0.58999700 0.46234000 0.68572600 1.0
Si Si24 1 0.72826700 0.46380400 0.02723800 1.0
Si Si25 1 0.30297900 0.54602400 0.05420700 1.0
Si Si26 1 0.47088100 0.85168000 0.54338600 1.0
Si Si27 1 0.54543200 0.21358000 0.51486800 1.0
