Mg5Si9
Traditional Materials TRAMP-ID: mp-1075592 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075592
Elements
2
Sites
28
Density
2.2504
g/cm³
Volume
552.37
ų
Cell a
6.6762
Å
Cell b
6.9267
Å
Cell c
13.6427
Å
α Angle
75.46
°
β Angle
76.37
°
γ Angle
66.22
°
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 |
|---|---|---|---|
| 6.77 | 13.0529 | 7.6 | (0,0,1) |
| 13.57 | 6.5264 | 20.1 | (0,0,2) |
| 14.62 | 6.0588 | 5.2 | (0,1,1) |
| 14.67 | 6.0386 | 24.8 | (1,0,0) |
| 15.20 | 5.8280 | 9.2 | (1,0,1) |
| 16.27 | 5.4480 | 2.8 | (1,1,0) |
| 16.79 | 5.2811 | 15.0 | (0,1,-1) |
| 17.09 | 5.1886 | 5.0 | (1,0,-1) |
| 17.93 | 4.9476 | 14.8 | (1,1,2) |
| 18.44 | 4.8114 | 30.1 | (1,0,2) |
| 19.39 | 4.5777 | 27.0 | (1,1,-1) |
| 20.41 | 4.3510 | 15.4 | (0,0,3) |
| 21.36 | 4.1605 | 2.6 | (0,1,-2) |
| 22.77 | 3.9049 | 16.6 | (0,1,3) |
| 23.96 | 3.7136 | 31.4 | (1,-1,0) |
| 24.13 | 3.6889 | 7.7 | (1,1,-2) |
| 24.86 | 3.5822 | 2.4 | (1,-1,-1) |
| 25.00 | 3.5615 | 1.1 | (1,-1,1) |
| 25.93 | 3.4356 | 31.7 | (1,2,1) |
| 26.72 | 3.3359 | 1.5 | (1,2,2) |
| 26.81 | 3.3258 | 42.2 | (2,1,1) |
| 26.94 | 3.3092 | 5.1 | (1,2,0) |
| 27.02 | 3.3004 | 6.4 | (1,0,-3) |
| 27.33 | 3.2632 | 16.7 | (0,0,4) |
Energy Properties
Formation Energy/atom
0.19492
eV/atom
Energy/atom
-3.87510
eV/atom
Energy above Hull
0.2531
eV/atom
Uncorrected Energy
-3.9207
eV/atom
Volume/atom
19.73
ų
c/a Ratio
2.0435
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
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
0.520
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075592
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075592, 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 6.67617700
_cell_length_b 6.92669587
_cell_length_c 13.64273727
_cell_angle_alpha 75.46170054
_cell_angle_beta 76.36828291
_cell_angle_gamma 66.22095010
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 552.37200859
_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 0.26227700 0.43436000 0.30214100 1.0
Mg Mg1 1 0.75896100 0.73166500 0.55286000 1.0
Mg Mg2 1 0.99900700 0.13629500 0.47655400 1.0
Mg Mg3 1 0.16842000 0.69967000 0.63427300 1.0
Mg Mg4 1 0.58482500 0.60425600 0.40152900 1.0
Mg Mg5 1 0.31678900 0.28416500 0.53816600 1.0
Mg Mg6 1 0.38524900 0.74616500 0.93981800 1.0
Mg Mg7 1 0.57553600 0.30295000 0.07384100 1.0
Mg Mg8 1 0.71537000 0.01322800 0.87072200 1.0
Mg Mg9 1 0.19402700 0.12076400 0.10781700 1.0
Si Si10 1 0.01457400 0.38199400 0.91751900 1.0
Si Si11 1 0.06780900 0.54833100 0.11806800 1.0
Si Si12 1 0.06482900 0.10199300 0.69182500 1.0
Si Si13 1 0.91105500 0.99084800 0.31299100 1.0
Si Si14 1 0.73586000 0.03147800 0.65777400 1.0
Si Si15 1 0.50955500 0.94720200 0.22201200 1.0
Si Si16 1 0.55191000 0.53684300 0.75178100 1.0
Si Si17 1 0.58644000 0.58187800 0.19175600 1.0
Si Si18 1 0.42824400 0.91671100 0.73774700 1.0
Si Si19 1 0.53318500 0.01758000 0.38540200 1.0
Si Si20 1 0.89194000 0.89729000 0.15950500 1.0
Si Si21 1 0.99666600 0.03569200 0.98244300 1.0
Si Si22 1 0.94079800 0.43840800 0.74675800 1.0
Si Si23 1 0.90580200 0.35150200 0.27736000 1.0
Si Si24 1 0.38366500 0.37428800 0.90750800 1.0
Si Si25 1 0.77322500 0.65177800 0.01546800 1.0
Si Si26 1 0.14480700 0.72191400 0.42879200 1.0
Si Si27 1 0.59911400 0.40054000 0.59776200 1.0
