Mg5Si9
Traditional Materials TRAMP-ID: mp-1075734 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075734
Elements
2
Sites
28
Density
2.5331
g/cm³
Volume
490.73
ų
Cell a
5.5950
Å
Cell b
7.3483
Å
Cell c
13.2416
Å
α Angle
76.52
°
β Angle
78.26
°
γ Angle
69.27
°
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 |
|---|---|---|---|
| 6.93 | 12.7626 | 28.4 | (0,0,1) |
| 13.09 | 6.7653 | 5.0 | (0,1,0) |
| 15.87 | 5.5848 | 7.5 | (0,1,-1) |
| 17.10 | 5.1861 | 9.1 | (1,0,0) |
| 17.35 | 5.1125 | 5.5 | (0,1,2) |
| 17.89 | 4.9585 | 7.2 | (1,1,0) |
| 19.31 | 4.5962 | 2.5 | (1,0,-1) |
| 20.58 | 4.3153 | 5.1 | (1,0,2) |
| 20.75 | 4.2814 | 2.7 | (0,1,-2) |
| 20.88 | 4.2542 | 2.1 | (0,0,3) |
| 22.65 | 3.9259 | 3.1 | (0,1,3) |
| 23.50 | 3.7857 | 1.2 | (1,0,-2) |
| 23.82 | 3.7359 | 2.1 | (1,1,3) |
| 25.25 | 3.5272 | 2.2 | (1,0,3) |
| 25.41 | 3.5047 | 3.1 | (1,1,-2) |
| 25.48 | 3.4956 | 1.3 | (1,2,1) |
| 25.74 | 3.4613 | 2.4 | (1,-1,-1) |
| 25.76 | 3.4590 | 1.5 | (1,-1,1) |
| 26.04 | 3.4222 | 1.5 | (0,2,1) |
| 26.35 | 3.3826 | 2.8 | (0,2,0) |
| 26.45 | 3.3693 | 1.4 | (1,2,2) |
| 26.64 | 3.3459 | 2.0 | (0,1,-3) |
| 27.59 | 3.2332 | 2.0 | (0,2,2) |
| 28.46 | 3.1360 | 3.7 | (0,2,-1) |
Energy Properties
Formation Energy/atom
0.24594
eV/atom
Energy/atom
-3.82407
eV/atom
Energy above Hull
0.3041
eV/atom
Uncorrected Energy
-3.8697
eV/atom
Volume/atom
17.53
ų
c/a Ratio
2.3667
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0015
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
0.489
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075734
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075734, 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 5.59498800
_cell_length_b 7.34827214
_cell_length_c 13.24162102
_cell_angle_alpha 76.52252494
_cell_angle_beta 78.26013338
_cell_angle_gamma 69.26604953
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 490.73068226
_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 0.51251700 0.21097900 0.32583600 1.0
Mg Mg1 1 0.80581400 0.54826100 0.61836200 1.0
Mg Mg2 1 0.64861200 0.41029400 0.46371600 1.0
Mg Mg3 1 0.22224200 0.70512900 0.59996600 1.0
Mg Mg4 1 0.07571900 0.97599400 0.37477500 1.0
Mg Mg5 1 0.18383500 0.15776900 0.54173200 1.0
Mg Mg6 1 0.39857800 0.51895400 0.82359900 1.0
Mg Mg7 1 0.23300400 0.62452700 0.05664900 1.0
Mg Mg8 1 0.42078000 0.98524600 0.90015400 1.0
Mg Mg9 1 0.45505900 0.65734000 0.24163300 1.0
Si Si10 1 0.99773300 0.90802300 0.86066400 1.0
Si Si11 1 0.70360100 0.32128100 0.12105000 1.0
Si Si12 1 0.37448300 0.26369200 0.69363500 1.0
Si Si13 1 0.86326500 0.73695300 0.29187000 1.0
Si Si14 1 0.82313000 0.16124400 0.71591600 1.0
Si Si15 1 0.03107400 0.96760200 0.14829400 1.0
Si Si16 1 0.82715400 0.70231800 0.78694900 1.0
Si Si17 1 0.31855400 0.17610800 0.16152800 1.0
Si Si18 1 0.97101700 0.32491400 0.82717600 1.0
Si Si19 1 0.14917700 0.51702000 0.41810400 1.0
Si Si20 1 0.69956700 0.87587400 0.08380800 1.0
Si Si21 1 0.66697100 0.19987000 0.96820300 1.0
Si Si22 1 0.40934900 0.89478800 0.71292600 1.0
Si Si23 1 0.96709100 0.38553000 0.27191500 1.0
Si Si24 1 0.76960600 0.61385200 0.98525600 1.0
Si Si25 1 0.15914700 0.31177700 0.99427600 1.0
Si Si26 1 0.56750900 0.84373900 0.44876100 1.0
Si Si27 1 0.74529300 0.00097200 0.56344200 1.0
