Mg5Si9
Traditional Materials TRAMP-ID: mp-1075741 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075741
Elements
2
Sites
28
Density
2.3194
g/cm³
Volume
535.94
ų
Cell a
6.7981
Å
Cell b
7.0637
Å
Cell c
12.7366
Å
α Angle
100.91
°
β Angle
85.48
°
γ Angle
116.82
°
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 |
|---|---|---|---|
| 7.07 | 12.5059 | 30.9 | (0,0,1) |
| 14.16 | 6.2530 | 34.4 | (0,0,2) |
| 14.26 | 6.2090 | 2.4 | (0,1,0) |
| 14.60 | 6.0667 | 14.1 | (1,0,0) |
| 14.79 | 5.9889 | 4.1 | (0,1,-1) |
| 15.20 | 5.8276 | 12.2 | (1,-1,0) |
| 15.75 | 5.6265 | 11.2 | (1,-1,1) |
| 16.29 | 5.4421 | 13.5 | (1,0,1) |
| 17.01 | 5.2139 | 11.7 | (0,1,1) |
| 17.76 | 4.9943 | 2.1 | (1,-1,-1) |
| 18.31 | 4.8444 | 3.2 | (0,1,-2) |
| 19.14 | 4.6365 | 3.2 | (1,-1,2) |
| 20.32 | 4.3708 | 2.9 | (1,0,-2) |
| 20.47 | 4.3377 | 14.5 | (1,0,2) |
| 21.31 | 4.1686 | 7.7 | (0,0,3) |
| 21.85 | 4.0683 | 4.3 | (0,1,2) |
| 22.41 | 3.9676 | 2.8 | (1,-1,-2) |
| 24.25 | 3.6702 | 10.8 | (1,-1,3) |
| 24.67 | 3.6091 | 20.4 | (1,1,0) |
| 24.95 | 3.5688 | 14.9 | (1,1,-1) |
| 25.39 | 3.5074 | 2.1 | (1,-2,1) |
| 25.76 | 3.4586 | 6.0 | (1,-2,0) |
| 25.84 | 3.4480 | 10.9 | (1,0,-3) |
| 26.03 | 3.4236 | 11.1 | (1,0,3) |
Energy Properties
Formation Energy/atom
0.17666
eV/atom
Energy/atom
-3.89336
eV/atom
Energy above Hull
0.2348
eV/atom
Uncorrected Energy
-3.9390
eV/atom
Volume/atom
19.14
ų
c/a Ratio
1.8736
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0025
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
0.532
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075741
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075741, 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 6.79809300
_cell_length_b 7.06368635
_cell_length_c 12.73659362
_cell_angle_alpha 100.91223272
_cell_angle_beta 85.48408728
_cell_angle_gamma 116.81876228
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 535.93569872
_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 0.03166500 0.49916000 0.25868800 1.0
Mg Mg1 1 0.97686800 0.19643200 0.62139700 1.0
Mg Mg2 1 0.38079800 0.86735300 0.45533500 1.0
Mg Mg3 1 0.56313700 0.29900100 0.62796600 1.0
Mg Mg4 1 0.19477800 0.30197500 0.40261200 1.0
Mg Mg5 1 0.83141500 0.67740000 0.52619400 1.0
Mg Mg6 1 0.94237300 0.39245700 0.90027900 1.0
Mg Mg7 1 0.81740200 0.66661100 0.11312900 1.0
Mg Mg8 1 0.28617500 0.88936700 0.88394200 1.0
Mg Mg9 1 0.63690900 0.11949000 0.07550700 1.0
Si Si10 1 0.72009000 0.64778200 0.85114700 1.0
Si Si11 1 0.35116000 0.47030000 0.09824800 1.0
Si Si12 1 0.18783800 0.93495000 0.67633400 1.0
Si Si13 1 0.76411600 0.95937700 0.28548400 1.0
Si Si14 1 0.54804100 0.91913200 0.68482500 1.0
Si Si15 1 0.26396300 0.99203500 0.21189800 1.0
Si Si16 1 0.36927800 0.57089800 0.77077700 1.0
Si Si17 1 0.58878800 0.32859500 0.27485900 1.0
Si Si18 1 0.20631900 0.20469400 0.83119400 1.0
Si Si19 1 0.02645400 0.87740200 0.36131300 1.0
Si Si20 1 0.05129600 0.12630800 0.13358500 1.0
Si Si21 1 0.91950800 0.00246000 0.95089500 1.0
Si Si22 1 0.96831200 0.58094900 0.71963600 1.0
Si Si23 1 0.46882600 0.59892000 0.28110900 1.0
Si Si24 1 0.23984600 0.71999300 0.06080000 1.0
Si Si25 1 0.52757300 0.35230500 0.94909300 1.0
Si Si26 1 0.73907400 0.24453800 0.41520200 1.0
Si Si27 1 0.39818900 0.56041700 0.57876200 1.0
