Mg5Si9
Traditional Materials TRAMP-ID: mp-1075720 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075720
Elements
2
Sites
28
Density
2.5644
g/cm³
Volume
484.74
ų
Cell a
5.4274
Å
Cell b
7.4048
Å
Cell c
12.7032
Å
α Angle
90.52
°
β Angle
98.61
°
γ Angle
105.91
°
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 |
|---|---|---|---|
| 7.05 | 12.5426 | 50.6 | (0,0,1) |
| 12.45 | 7.1111 | 2.4 | (0,1,0) |
| 13.99 | 6.3307 | 4.2 | (0,1,-1) |
| 14.12 | 6.2713 | 6.2 | (0,0,2) |
| 17.21 | 5.1536 | 1.3 | (1,0,0) |
| 17.54 | 5.0565 | 3.1 | (1,0,-1) |
| 18.23 | 4.8670 | 1.5 | (1,-1,0) |
| 18.36 | 4.8314 | 3.1 | (0,1,-2) |
| 18.79 | 4.7215 | 3.0 | (1,-1,-1) |
| 19.36 | 4.5852 | 13.7 | (0,1,2) |
| 20.31 | 4.3731 | 2.1 | (1,-1,1) |
| 20.50 | 4.3321 | 7.6 | (1,0,-2) |
| 21.25 | 4.1809 | 4.2 | (0,0,3) |
| 21.81 | 4.0753 | 1.7 | (1,-1,-2) |
| 23.98 | 3.7104 | 6.4 | (1,1,0) |
| 24.12 | 3.6900 | 4.3 | (0,1,-3) |
| 24.39 | 3.6497 | 1.2 | (1,-1,2) |
| 25.27 | 3.5239 | 7.2 | (0,1,3) |
| 25.68 | 3.4690 | 2.0 | (0,2,-1) |
| 26.12 | 3.4118 | 1.2 | (1,1,-2) |
| 26.18 | 3.4034 | 1.7 | (1,-2,0) |
| 26.48 | 3.3657 | 4.5 | (1,-1,-3) |
| 27.52 | 3.2406 | 2.9 | (1,-2,1) |
| 28.19 | 3.1654 | 2.7 | (0,2,-2) |
Energy Properties
Formation Energy/atom
0.23592
eV/atom
Energy/atom
-3.83409
eV/atom
Energy above Hull
0.2941
eV/atom
Uncorrected Energy
-3.8797
eV/atom
Volume/atom
17.31
ų
c/a Ratio
2.3406
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0022
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
0.493
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075720
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075720, 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 5.42737400
_cell_length_b 7.40475564
_cell_length_c 12.70316087
_cell_angle_alpha 90.51706098
_cell_angle_beta 98.61051235
_cell_angle_gamma 105.91469109
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 484.74450082
_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 0.19112100 0.00144000 0.73318100 1.0
Mg Mg1 1 0.82818900 0.93923700 0.43820400 1.0
Mg Mg2 1 0.57314100 0.56843100 0.52695300 1.0
Mg Mg3 1 0.53336600 0.60502400 0.27869000 1.0
Mg Mg4 1 0.97018300 0.31715300 0.55200400 1.0
Mg Mg5 1 0.38595300 0.14384600 0.52085900 1.0
Mg Mg6 1 0.22600900 0.92604400 0.28405400 1.0
Mg Mg7 1 0.37814400 0.72645600 0.88672700 1.0
Mg Mg8 1 0.05053000 0.18672200 0.10213300 1.0
Mg Mg9 1 0.82166100 0.49154900 0.94326200 1.0
Si Si10 1 0.78347100 0.76183000 0.09123700 1.0
Si Si11 1 0.21078000 0.28920200 0.88630300 1.0
Si Si12 1 0.12266500 0.27425600 0.34600600 1.0
Si Si13 1 0.72182200 0.71342800 0.75943400 1.0
Si Si14 1 0.00950300 0.54144800 0.16987300 1.0
Si Si15 1 0.75621000 0.22864500 0.76668700 1.0
Si Si16 1 0.63182200 0.28042700 0.35107800 1.0
Si Si17 1 0.03831500 0.56723100 0.71209000 1.0
Si Si18 1 0.59318200 0.27283200 0.13424400 1.0
Si Si19 1 0.66272800 0.95012000 0.63913200 1.0
Si Si20 1 0.92751600 0.93699800 0.92584100 1.0
Si Si21 1 0.31172100 0.91349700 0.07062100 1.0
Si Si22 1 0.70906100 0.99150200 0.22123200 1.0
Si Si23 1 0.40678500 0.39587700 0.72176000 1.0
Si Si24 1 0.56062900 0.11045200 0.93520500 1.0
Si Si25 1 0.34922700 0.52397500 0.05995300 1.0
Si Si26 1 0.18959200 0.75403200 0.56136800 1.0
Si Si27 1 0.05678800 0.58848700 0.38163000 1.0
