Mg5Si9
Traditional Materials TRAMP-ID: mp-1075627 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075627
Elements
2
Sites
28
Density
2.3121
g/cm³
Volume
537.64
ų
Cell a
6.9518
Å
Cell b
7.0860
Å
Cell c
12.6024
Å
α Angle
76.54
°
β Angle
82.95
°
γ Angle
62.96
°
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 |
|---|---|---|---|
| 7.21 | 12.2537 | 7.9 | (0,0,1) |
| 14.31 | 6.1907 | 7.7 | (1,0,0) |
| 14.46 | 6.1269 | 42.8 | (0,0,2) |
| 14.70 | 6.0273 | 3.7 | (0,1,1) |
| 15.14 | 5.8537 | 14.0 | (1,1,0) |
| 15.36 | 5.7693 | 23.4 | (1,1,1) |
| 15.91 | 5.5694 | 6.0 | (1,0,1) |
| 17.31 | 5.1232 | 5.2 | (0,1,-1) |
| 18.10 | 4.9003 | 3.2 | (1,1,-1) |
| 18.23 | 4.8668 | 2.9 | (0,1,2) |
| 18.66 | 4.7553 | 1.8 | (1,1,2) |
| 20.19 | 4.3978 | 14.4 | (1,0,2) |
| 20.59 | 4.3129 | 7.1 | (1,0,-2) |
| 21.76 | 4.0846 | 1.1 | (0,0,3) |
| 22.38 | 3.9726 | 11.4 | (0,1,-2) |
| 23.09 | 3.8512 | 3.5 | (1,1,-2) |
| 23.58 | 3.7734 | 1.2 | (0,1,3) |
| 23.83 | 3.7340 | 20.1 | (1,1,3) |
| 24.43 | 3.6440 | 39.5 | (1,-1,0) |
| 24.74 | 3.5992 | 14.5 | (1,-1,-1) |
| 25.21 | 3.5321 | 7.3 | (1,2,1) |
| 25.88 | 3.4421 | 9.0 | (2,1,0) |
| 25.90 | 3.4403 | 15.5 | (1,0,3) |
| 25.91 | 3.4385 | 4.9 | (1,2,0) |
Energy Properties
Formation Energy/atom
0.16886
eV/atom
Energy/atom
-3.90116
eV/atom
Energy above Hull
0.2270
eV/atom
Uncorrected Energy
-3.9468
eV/atom
Volume/atom
19.20
ų
c/a Ratio
1.8128
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0017
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
0.538
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075627
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075627, 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 6.95179000
_cell_length_b 7.08602260
_cell_length_c 12.60241938
_cell_angle_alpha 76.53564366
_cell_angle_beta 82.94999404
_cell_angle_gamma 62.96007212
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 537.64229463
_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 0.97905400 0.54495100 0.73817100 1.0
Mg Mg1 1 0.97724800 0.16780900 0.38545700 1.0
Mg Mg2 1 0.59433400 0.87494500 0.53397700 1.0
Mg Mg3 1 0.40687000 0.30083000 0.36790000 1.0
Mg Mg4 1 0.82826800 0.35920400 0.59136800 1.0
Mg Mg5 1 0.11120700 0.65938300 0.47385700 1.0
Mg Mg6 1 0.16671400 0.25543000 0.14740500 1.0
Mg Mg7 1 0.19605500 0.67114200 0.90399100 1.0
Mg Mg8 1 0.73784200 0.86848100 0.11187300 1.0
Mg Mg9 1 0.37856500 0.11751900 0.92516500 1.0
Si Si10 1 0.26885600 0.62551500 0.15340300 1.0
Si Si11 1 0.67043300 0.47609100 0.90033400 1.0
Si Si12 1 0.78720300 0.92000000 0.32192300 1.0
Si Si13 1 0.22548900 0.96263700 0.71097200 1.0
Si Si14 1 0.43072300 0.92323300 0.31089500 1.0
Si Si15 1 0.75205000 0.02387000 0.77583900 1.0
Si Si16 1 0.61382300 0.56910900 0.23201100 1.0
Si Si17 1 0.42138500 0.34387000 0.72665400 1.0
Si Si18 1 0.80149800 0.19646200 0.16973700 1.0
Si Si19 1 0.96800100 0.93541600 0.61065200 1.0
Si Si20 1 0.96332700 0.14242600 0.85897400 1.0
Si Si21 1 0.09145400 0.99028400 0.04643700 1.0
Si Si22 1 0.00296500 0.55791600 0.28223900 1.0
Si Si23 1 0.53090800 0.61520400 0.72269300 1.0
Si Si24 1 0.77792700 0.73301400 0.92683300 1.0
Si Si25 1 0.49320400 0.34281400 0.05119100 1.0
Si Si26 1 0.28718500 0.24783600 0.59272600 1.0
Si Si27 1 0.53722300 0.57491400 0.42711100 1.0
