Mg9Si5
Traditional Materials TRAMP-ID: mp-1074008 · Space group: P1 (#1)
Basic Information
Formula
Mg9Si5
MP-ID
mp-1074008
Elements
2
Sites
28
Density
2.1573
g/cm³
Volume
552.93
ų
Cell a
7.1316
Å
Cell b
7.1546
Å
Cell c
12.4823
Å
α Angle
96.02
°
β Angle
90.63
°
γ Angle
118.93
°
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 |
|---|---|---|---|
| 7.14 | 12.3821 | 4.7 | (0,0,1) |
| 14.23 | 6.2258 | 3.5 | (1,0,0) |
| 14.26 | 6.2117 | 2.0 | (0,1,0) |
| 14.31 | 6.1911 | 5.3 | (0,0,2) |
| 14.42 | 6.1434 | 5.7 | (1,-1,0) |
| 15.47 | 5.7279 | 4.2 | (1,0,-1) |
| 15.75 | 5.6267 | 7.0 | (1,-1,1) |
| 16.38 | 5.4102 | 2.8 | (1,0,1) |
| 16.45 | 5.3876 | 7.6 | (1,-1,-1) |
| 19.49 | 4.5547 | 2.9 | (1,0,-2) |
| 20.92 | 4.2466 | 2.5 | (1,-1,-2) |
| 20.94 | 4.2419 | 1.5 | (1,0,2) |
| 24.69 | 3.6053 | 12.3 | (1,1,0) |
| 24.92 | 3.5728 | 7.3 | (1,1,-1) |
| 24.98 | 3.5652 | 16.0 | (2,-1,0) |
| 25.02 | 3.5584 | 11.7 | (1,0,-3) |
| 25.03 | 3.5573 | 3.9 | (1,-2,0) |
| 25.32 | 3.5171 | 11.7 | (1,-2,1) |
| 25.33 | 3.5158 | 3.3 | (1,-1,3) |
| 25.94 | 3.4343 | 2.2 | (2,-1,-1) |
| 26.07 | 3.4178 | 1.5 | (2,-1,1) |
| 26.67 | 3.3427 | 2.4 | (1,-1,-3) |
| 26.78 | 3.3286 | 2.8 | (1,-2,-1) |
| 27.16 | 3.2828 | 4.3 | (1,1,-2) |
Energy Properties
Formation Energy/atom
0.01606
eV/atom
Energy/atom
-2.96971
eV/atom
Energy above Hull
0.1208
eV/atom
Uncorrected Energy
-2.9951
eV/atom
Volume/atom
19.75
ų
c/a Ratio
1.7503
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0058
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
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-1074008
Reference Citation
The crystal structure and related material properties of Mg9Si5 were obtained from the Materials Project database (MP-ID: mp-1074008, 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 7.13163400
_cell_length_b 7.15455275
_cell_length_c 12.48224806
_cell_angle_alpha 96.01921726
_cell_angle_beta 90.63454125
_cell_angle_gamma 118.93261311
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg9Si5
_chemical_formula_sum 'Mg18 Si10'
_cell_volume 552.92678928
_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 0.56714400 0.44706500 0.35349600 1.0
Mg Mg1 1 0.89266900 0.22912700 0.35633800 1.0
Mg Mg2 1 0.09876500 0.76417200 0.35742400 1.0
Mg Mg3 1 0.52753600 0.09861500 0.50342400 1.0
Mg Mg4 1 0.78663700 0.81069300 0.18110100 1.0
Mg Mg5 1 0.79097300 0.85977900 0.52678900 1.0
Mg Mg6 1 0.80147800 0.77790000 0.85069200 1.0
Mg Mg7 1 0.55623700 0.40505000 0.02052000 1.0
Mg Mg8 1 0.16188900 0.30040100 0.87353300 1.0
Mg Mg9 1 0.15391500 0.88734700 0.66323900 1.0
Mg Mg10 1 0.36796400 0.99050200 0.88430200 1.0
Mg Mg11 1 0.80377500 0.14180500 0.02099600 1.0
Mg Mg12 1 0.98456300 0.31230000 0.65683800 1.0
Mg Mg13 1 0.05333800 0.64751700 0.01142300 1.0
Mg Mg14 1 0.52224200 0.39073700 0.68059900 1.0
Mg Mg15 1 0.24132100 0.48135600 0.17855700 1.0
Mg Mg16 1 0.30059400 0.59674600 0.52292900 1.0
Mg Mg17 1 0.45899300 0.01932300 0.18036700 1.0
Si Si18 1 0.14231900 0.07063200 0.04760500 1.0
Si Si19 1 0.59883900 0.99060900 0.69856300 1.0
Si Si20 1 0.19623600 0.17492400 0.49829700 1.0
Si Si21 1 0.17858100 0.12698900 0.26943600 1.0
Si Si22 1 0.76859200 0.33367100 0.84402000 1.0
Si Si23 1 0.51706300 0.80611100 0.34906700 1.0
Si Si24 1 0.47088900 0.72909300 0.00585900 1.0
Si Si25 1 0.83094500 0.44042300 0.18576900 1.0
Si Si26 1 0.86391600 0.51867900 0.52118200 1.0
Si Si27 1 0.36244500 0.64859400 0.75788700 1.0
