Mg9Si5
Traditional Materials TRAMP-ID: mp-1074061 · Space group: P1 (#1)
Basic Information
Formula
Mg9Si5
MP-ID
mp-1074061
Elements
2
Sites
28
Density
2.1511
g/cm³
Volume
554.53
ų
Cell a
7.1336
Å
Cell b
7.1475
Å
Cell c
12.4959
Å
α Angle
93.67
°
β Angle
90.11
°
γ Angle
119.22
°
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 |
|---|---|---|---|
| 7.09 | 12.4613 | 7.7 | (0,0,1) |
| 14.21 | 6.2306 | 6.5 | (0,0,2) |
| 14.24 | 6.2208 | 1.0 | (0,1,0) |
| 14.39 | 6.1554 | 4.6 | (1,-1,0) |
| 15.83 | 5.5994 | 7.3 | (1,-1,1) |
| 16.29 | 5.4417 | 2.2 | (1,-1,-1) |
| 16.39 | 5.4074 | 4.2 | (0,1,1) |
| 19.91 | 4.4598 | 4.8 | (1,-1,2) |
| 20.92 | 4.2471 | 1.6 | (0,1,2) |
| 24.70 | 3.6047 | 12.9 | (1,1,0) |
| 24.97 | 3.5665 | 6.4 | (2,-1,0) |
| 24.97 | 3.5662 | 11.7 | (1,-2,0) |
| 25.27 | 3.5246 | 2.0 | (1,1,-1) |
| 25.32 | 3.5169 | 3.9 | (1,0,-3) |
| 25.43 | 3.5020 | 10.5 | (1,-1,3) |
| 25.54 | 3.4876 | 2.4 | (1,-2,1) |
| 25.98 | 3.4298 | 9.0 | (2,-1,-1) |
| 25.99 | 3.4280 | 1.2 | (2,-1,1) |
| 26.25 | 3.3954 | 1.1 | (1,0,3) |
| 26.68 | 3.3416 | 11.4 | (0,1,3) |
| 27.77 | 3.2122 | 1.5 | (1,1,-2) |
| 28.65 | 3.1153 | 3.2 | (0,0,4) |
| 28.70 | 3.1107 | 2.6 | (2,0,0) |
| 28.70 | 3.1104 | 1.4 | (0,2,0) |
Energy Properties
Formation Energy/atom
0.01674
eV/atom
Energy/atom
-2.96903
eV/atom
Energy above Hull
0.1215
eV/atom
Uncorrected Energy
-2.9944
eV/atom
Volume/atom
19.80
ų
c/a Ratio
1.7517
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0008
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
Mg · 0.643
Element Family
N/A
Solute Fraction
0.357
Interstitial Fraction
0.357
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.818
Family
Mg-based Alloy
Matrix Element
Mg · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074061
Reference Citation
The crystal structure and related material properties of Mg9Si5 were obtained from the Materials Project database (MP-ID: mp-1074061, 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_Mg9Si5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13361900
_cell_length_b 7.14752378
_cell_length_c 12.49592353
_cell_angle_alpha 93.66852604
_cell_angle_beta 90.10927813
_cell_angle_gamma 119.21827138
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg9Si5
_chemical_formula_sum 'Mg18 Si10'
_cell_volume 554.53185468
_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 0.56724300 0.43920100 0.35218200 1.0
Mg Mg1 1 0.89093800 0.22929700 0.35373400 1.0
Mg Mg2 1 0.10746000 0.76011000 0.35592100 1.0
Mg Mg3 1 0.54033100 0.09431600 0.51584200 1.0
Mg Mg4 1 0.79014700 0.81148300 0.18336000 1.0
Mg Mg5 1 0.78657700 0.83545400 0.51195700 1.0
Mg Mg6 1 0.82317300 0.80058700 0.85960700 1.0
Mg Mg7 1 0.56985400 0.41463800 0.02375400 1.0
Mg Mg8 1 0.19840200 0.32800500 0.87739900 1.0
Mg Mg9 1 0.15345500 0.91621200 0.65850200 1.0
Mg Mg10 1 0.41197700 0.00831800 0.87756000 1.0
Mg Mg11 1 0.81497700 0.15522200 0.01977200 1.0
Mg Mg12 1 0.94390900 0.24666700 0.65930400 1.0
Mg Mg13 1 0.06710400 0.65861500 0.01013100 1.0
Mg Mg14 1 0.53487000 0.44947200 0.67672400 1.0
Mg Mg15 1 0.24897800 0.48847700 0.17895000 1.0
Mg Mg16 1 0.28939000 0.59074000 0.52511100 1.0
Mg Mg17 1 0.46498600 0.02071000 0.18166800 1.0
Si Si18 1 0.14886000 0.07425800 0.04099700 1.0
Si Si19 1 0.57146500 0.86324000 0.69135700 1.0
Si Si20 1 0.20644600 0.17496000 0.49687700 1.0
Si Si21 1 0.17871200 0.12538500 0.26879600 1.0
Si Si22 1 0.78609700 0.38627800 0.84382000 1.0
Si Si23 1 0.51950200 0.80918000 0.34946000 1.0
Si Si24 1 0.48456900 0.74138300 0.01623200 1.0
Si Si25 1 0.83741300 0.44094500 0.18587400 1.0
Si Si26 1 0.87104300 0.50790800 0.51833700 1.0
Si Si27 1 0.19198500 0.62910300 0.76701900 1.0
