Mg5Si9
Traditional Materials TRAMP-ID: mp-1075617 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075617
Elements
2
Sites
28
Density
2.4781
g/cm³
Volume
501.62
ų
Cell a
12.9629
Å
Cell b
7.6317
Å
Cell c
5.8440
Å
α Angle
62.84
°
β Angle
77.21
°
γ Angle
83.68
°
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 |
|---|---|---|---|
| 14.01 | 6.3204 | 24.8 | (2,0,0) |
| 14.74 | 6.0079 | 3.1 | (1,1,0) |
| 16.44 | 5.3935 | 2.0 | (0,1,1) |
| 17.38 | 5.1015 | 9.2 | (0,0,1) |
| 19.08 | 4.6506 | 9.7 | (2,1,0) |
| 19.22 | 4.6187 | 2.0 | (1,-1,-1) |
| 19.23 | 4.6164 | 6.7 | (2,1,1) |
| 19.29 | 4.6024 | 1.6 | (2,-1,0) |
| 19.99 | 4.4419 | 4.0 | (1,0,-1) |
| 20.14 | 4.4083 | 7.9 | (2,0,1) |
| 21.08 | 4.2136 | 7.4 | (3,0,0) |
| 23.87 | 3.7275 | 1.3 | (3,1,1) |
| 24.16 | 3.6833 | 7.4 | (0,2,1) |
| 24.45 | 3.6404 | 1.7 | (2,0,-1) |
| 24.66 | 3.6096 | 3.9 | (3,0,1) |
| 24.75 | 3.5971 | 5.6 | (3,1,0) |
| 26.10 | 3.4146 | 1.8 | (2,2,1) |
| 26.11 | 3.4129 | 2.0 | (0,1,-1) |
| 26.19 | 3.4030 | 4.3 | (1,-1,1) |
| 26.20 | 3.4010 | 2.3 | (1,-2,-1) |
| 26.25 | 3.3950 | 2.0 | (0,2,0) |
| 27.13 | 3.2874 | 1.2 | (1,2,0) |
| 27.27 | 3.2702 | 8.4 | (1,-2,0) |
| 27.91 | 3.1965 | 3.3 | (1,1,-1) |
Energy Properties
Formation Energy/atom
0.23064
eV/atom
Energy/atom
-3.83938
eV/atom
Energy above Hull
0.2888
eV/atom
Uncorrected Energy
-3.8850
eV/atom
Volume/atom
17.91
ų
c/a Ratio
0.4508
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0010
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
0.496
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075617
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075617, 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 12.96293176
_cell_length_b 7.63170798
_cell_length_c 5.84399598
_cell_angle_alpha 62.84208051
_cell_angle_beta 77.21345591
_cell_angle_gamma 83.67977476
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 501.61946395
_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 0.71172600 0.06794300 0.97972700 1.0
Mg Mg1 1 0.42240200 0.02180200 0.18241500 1.0
Mg Mg2 1 0.56844100 0.37817400 0.62031400 1.0
Mg Mg3 1 0.37858200 0.54929000 0.35226500 1.0
Mg Mg4 1 0.56002700 0.35893600 0.12546900 1.0
Mg Mg5 1 0.45208700 0.74434200 0.74181900 1.0
Mg Mg6 1 0.07177500 0.88222900 0.23845600 1.0
Mg Mg7 1 0.85526800 0.82220100 0.62973500 1.0
Mg Mg8 1 0.02990000 0.44489900 0.05932200 1.0
Mg Mg9 1 0.87843700 0.75642400 0.16628200 1.0
Si Si10 1 0.22597500 0.60043200 0.07090700 1.0
Si Si11 1 0.96818700 0.47986100 0.58646000 1.0
Si Si12 1 0.42829100 0.13106400 0.58281000 1.0
Si Si13 1 0.66289200 0.76041000 0.46766400 1.0
Si Si14 1 0.23053400 0.72805400 0.59552700 1.0
Si Si15 1 0.77332200 0.22094500 0.40937600 1.0
Si Si16 1 0.21114300 0.20913100 0.10990700 1.0
Si Si17 1 0.74198600 0.55305700 0.09163900 1.0
Si Si18 1 0.20320600 0.10612700 0.57875100 1.0
Si Si19 1 0.61698800 0.00162600 0.64359000 1.0
Si Si20 1 0.90318900 0.15126700 0.08475500 1.0
Si Si21 1 0.05015100 0.88922800 0.73151500 1.0
Si Si22 1 0.27937900 0.93561600 0.97948500 1.0
Si Si23 1 0.75264800 0.46561700 0.73991600 1.0
Si Si24 1 0.92470200 0.16128800 0.63631200 1.0
Si Si25 1 0.16343100 0.43589800 0.57042600 1.0
Si Si26 1 0.57478200 0.72860600 0.14534700 1.0
Si Si27 1 0.36030000 0.41556100 0.87964900 1.0
