Mg5Si9
Traditional Materials TRAMP-ID: mp-1075761 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075761
Elements
2
Sites
28
Density
2.3185
g/cm³
Volume
536.14
ų
Cell a
6.8881
Å
Cell b
7.3050
Å
Cell c
11.8347
Å
α Angle
88.09
°
β Angle
97.25
°
γ Angle
114.79
°
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 |
|---|---|---|---|
| 7.53 | 11.7372 | 25.9 | (0,0,1) |
| 13.35 | 6.6300 | 21.2 | (0,1,0) |
| 14.27 | 6.2050 | 1.3 | (1,0,0) |
| 14.92 | 5.9376 | 18.8 | (1,-1,0) |
| 15.10 | 5.8686 | 21.4 | (0,0,2) |
| 15.20 | 5.8273 | 6.1 | (0,1,-1) |
| 15.30 | 5.7897 | 5.6 | (1,0,-1) |
| 15.49 | 5.7196 | 8.6 | (0,1,1) |
| 16.05 | 5.5228 | 3.0 | (1,-1,-1) |
| 16.97 | 5.2250 | 4.2 | (1,0,1) |
| 17.39 | 5.0990 | 13.8 | (1,-1,1) |
| 19.49 | 4.5544 | 4.2 | (1,0,-2) |
| 19.99 | 4.4427 | 10.7 | (0,1,-2) |
| 20.43 | 4.3476 | 11.9 | (0,1,2) |
| 23.38 | 3.8047 | 1.4 | (1,1,0) |
| 23.94 | 3.7170 | 2.4 | (1,1,-1) |
| 24.58 | 3.6213 | 1.9 | (1,-2,0) |
| 25.24 | 3.5290 | 6.5 | (1,1,1) |
| 25.37 | 3.5113 | 13.0 | (1,0,-3) |
| 25.39 | 3.5085 | 27.7 | (1,-2,-1) |
| 26.01 | 3.4264 | 3.9 | (1,-1,-3) |
| 26.12 | 3.4115 | 1.6 | (2,-1,0) |
| 26.19 | 3.4021 | 3.3 | (0,1,-3) |
| 26.28 | 3.3914 | 27.3 | (2,-1,-1) |
Energy Properties
Formation Energy/atom
0.17286
eV/atom
Energy/atom
-3.89715
eV/atom
Energy above Hull
0.2310
eV/atom
Uncorrected Energy
-3.9428
eV/atom
Volume/atom
19.15
ų
c/a Ratio
1.7182
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0004
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
0.535
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075761
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075761, 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 6.88806800
_cell_length_b 7.30496698
_cell_length_c 11.83473985
_cell_angle_alpha 88.09026880
_cell_angle_beta 97.25365554
_cell_angle_gamma 114.79481067
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 536.14114092
_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 0.58939600 0.97929500 0.69689900 1.0
Mg Mg1 1 0.69472500 0.01351200 0.41204400 1.0
Mg Mg2 1 0.19234500 0.65384200 0.51840200 1.0
Mg Mg3 1 0.73426900 0.43785500 0.33856300 1.0
Mg Mg4 1 0.77385300 0.68798900 0.56844400 1.0
Mg Mg5 1 0.36219700 0.22795800 0.50352000 1.0
Mg Mg6 1 0.67107600 0.15962800 0.11896200 1.0
Mg Mg7 1 0.40518700 0.17858300 0.87483600 1.0
Mg Mg8 1 0.94693700 0.62481800 0.06901700 1.0
Mg Mg9 1 0.02556400 0.33437700 0.91098700 1.0
Si Si10 1 0.22431000 0.24612900 0.16989100 1.0
Si Si11 1 0.50639000 0.63702000 0.91342300 1.0
Si Si12 1 0.97367000 0.85823000 0.36538000 1.0
Si Si13 1 0.11112900 0.23633700 0.69478600 1.0
Si Si14 1 0.10774700 0.45374300 0.26498300 1.0
Si Si15 1 0.03416600 0.73687800 0.81790300 1.0
Si Si16 1 0.35582200 0.76883400 0.18944400 1.0
Si Si17 1 0.73581200 0.41447300 0.74964900 1.0
Si Si18 1 0.70974400 0.77198600 0.19574800 1.0
Si Si19 1 0.17733000 0.94537000 0.66067200 1.0
Si Si20 1 0.83368400 0.90468000 0.86966800 1.0
Si Si21 1 0.92902500 0.00183900 0.06207500 1.0
Si Si22 1 0.33033400 0.03304600 0.29616200 1.0
Si Si23 1 0.44671500 0.53515200 0.71629100 1.0
Si Si24 1 0.31973900 0.81419100 0.97439700 1.0
Si Si25 1 0.52404300 0.44433500 0.07798800 1.0
Si Si26 1 0.83779300 0.31444900 0.57853300 1.0
Si Si27 1 0.44661500 0.58535100 0.39104700 1.0
