Mg5Si9
Traditional Materials TRAMP-ID: mp-1075693 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075693
Elements
2
Sites
28
Density
2.5535
g/cm³
Volume
486.80
ų
Cell a
7.6068
Å
Cell b
7.6686
Å
Cell c
10.0385
Å
α Angle
72.88
°
β Angle
80.29
°
γ Angle
60.48
°
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 |
|---|---|---|---|
| 9.22 | 9.5901 | 10.6 | (0,0,1) |
| 13.69 | 6.4676 | 3.4 | (0,1,0) |
| 13.94 | 6.3546 | 6.0 | (1,1,0) |
| 14.50 | 6.1081 | 9.6 | (1,1,1) |
| 14.51 | 6.1041 | 2.4 | (0,1,1) |
| 16.06 | 5.5198 | 3.2 | (1,0,1) |
| 16.49 | 5.3754 | 4.5 | (1,0,-1) |
| 18.34 | 4.8382 | 4.8 | (0,1,-1) |
| 18.50 | 4.7950 | 2.3 | (0,0,2) |
| 18.71 | 4.7419 | 6.6 | (1,1,-1) |
| 19.97 | 4.4461 | 2.8 | (1,1,2) |
| 20.15 | 4.4058 | 1.4 | (0,1,2) |
| 23.30 | 3.8181 | 3.1 | (1,2,1) |
| 23.95 | 3.7152 | 1.7 | (2,1,1) |
| 23.97 | 3.7125 | 4.6 | (1,-1,-1) |
| 24.29 | 3.6637 | 3.2 | (1,2,0) |
| 25.71 | 3.4652 | 1.3 | (0,1,-2) |
| 25.89 | 3.4413 | 3.4 | (1,2,2) |
| 26.12 | 3.4114 | 1.7 | (1,1,-2) |
| 26.23 | 3.3971 | 2.9 | (1,-1,1) |
| 26.84 | 3.3220 | 1.7 | (0,2,1) |
| 26.95 | 3.3083 | 4.3 | (2,0,0) |
| 27.03 | 3.2986 | 4.8 | (2,1,-1) |
| 27.54 | 3.2386 | 4.3 | (2,1,2) |
Energy Properties
Formation Energy/atom
0.22097
eV/atom
Energy/atom
-3.84905
eV/atom
Energy above Hull
0.2791
eV/atom
Uncorrected Energy
-3.8947
eV/atom
Volume/atom
17.39
ų
c/a Ratio
1.3197
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0007
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
0.503
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075693
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075693, 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 7.60679900
_cell_length_b 7.66863244
_cell_length_c 10.03851002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.48002470
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 486.80271238
_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 0.51403000 0.96702800 0.71473600 1.0
Mg Mg1 1 0.16412800 0.88523200 0.35660300 1.0
Mg Mg2 1 0.37682100 0.41074100 0.53291600 1.0
Mg Mg3 1 0.72254800 0.49918500 0.39192400 1.0
Mg Mg4 1 0.12486900 0.18609900 0.53784900 1.0
Mg Mg5 1 0.88031000 0.68895900 0.55573900 1.0
Mg Mg6 1 0.36374900 0.97332500 0.05792600 1.0
Mg Mg7 1 0.78429000 0.95012800 0.91369600 1.0
Mg Mg8 1 0.87461800 0.21517900 0.06244900 1.0
Mg Mg9 1 0.46453300 0.60510400 0.91915700 1.0
Si Si10 1 0.77096600 0.84463900 0.21767200 1.0
Si Si11 1 0.11837900 0.53765600 0.97502700 1.0
Si Si12 1 0.72288100 0.11934500 0.36112600 1.0
Si Si13 1 0.12751000 0.79350600 0.69586700 1.0
Si Si14 1 0.44715900 0.51832200 0.22912300 1.0
Si Si15 1 0.71777000 0.36348800 0.72163500 1.0
Si Si16 1 0.48911700 0.23204300 0.12272300 1.0
Si Si17 1 0.83126700 0.59282800 0.85215700 1.0
Si Si18 1 0.12594800 0.29693800 0.19840800 1.0
Si Si19 1 0.80576400 0.09802700 0.59439300 1.0
Si Si20 1 0.12609000 0.99913200 0.84863200 1.0
Si Si21 1 0.11137200 0.77905600 0.09792800 1.0
Si Si22 1 0.49093600 0.97479100 0.39987900 1.0
Si Si23 1 0.13033600 0.32547400 0.76094200 1.0
Si Si24 1 0.42927200 0.29684100 0.85275100 1.0
Si Si25 1 0.72099300 0.61239800 0.10489000 1.0
Si Si26 1 0.46824100 0.70339400 0.59201100 1.0
Si Si27 1 0.09620800 0.53126700 0.33161400 1.0
