Mg5Si9
Traditional Materials TRAMP-ID: mp-1075612 · Space group: P1 (#1)
Basic Information
Formula
Mg5Si9
MP-ID
mp-1075612
Elements
2
Sites
28
Density
2.4643
g/cm³
Volume
504.44
ų
Cell a
7.2564
Å
Cell b
7.5435
Å
Cell c
10.5140
Å
α Angle
95.65
°
β Angle
104.29
°
γ Angle
112.20
°
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 |
|---|---|---|---|
| 8.88 | 9.9534 | 26.9 | (0,0,1) |
| 12.98 | 6.8228 | 5.7 | (0,1,0) |
| 13.86 | 6.3912 | 3.2 | (1,0,0) |
| 13.97 | 6.3393 | 1.0 | (1,0,-1) |
| 14.08 | 6.2893 | 1.1 | (0,1,-1) |
| 14.51 | 6.1045 | 11.9 | (1,-1,0) |
| 16.23 | 5.4610 | 1.4 | (1,-1,-1) |
| 17.26 | 5.1387 | 7.2 | (0,1,1) |
| 18.67 | 4.7529 | 3.2 | (1,0,1) |
| 19.71 | 4.5052 | 6.9 | (0,1,-2) |
| 21.62 | 4.1100 | 2.3 | (1,1,-1) |
| 21.85 | 4.0684 | 1.7 | (1,-1,-2) |
| 22.69 | 3.9196 | 3.2 | (1,1,0) |
| 23.90 | 3.7228 | 3.4 | (1,-2,0) |
| 24.13 | 3.6887 | 4.0 | (1,1,-2) |
| 24.21 | 3.6760 | 4.3 | (1,-1,2) |
| 24.29 | 3.6650 | 4.4 | (0,1,2) |
| 24.89 | 3.5770 | 5.2 | (2,-1,-1) |
| 25.08 | 3.5500 | 2.1 | (1,-2,1) |
| 25.37 | 3.5104 | 2.4 | (2,-1,0) |
| 25.73 | 3.4620 | 4.6 | (0,2,-1) |
| 25.86 | 3.4454 | 1.8 | (1,0,2) |
| 26.00 | 3.4271 | 6.9 | (1,-2,-1) |
| 26.12 | 3.4114 | 2.5 | (0,2,0) |
Energy Properties
Formation Energy/atom
0.20846
eV/atom
Energy/atom
-3.86155
eV/atom
Energy above Hull
0.2666
eV/atom
Uncorrected Energy
-3.9072
eV/atom
Volume/atom
18.02
ų
c/a Ratio
1.4489
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0081
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
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
0.511
Family
Binary Alloy
Matrix Element
Si · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075612
Reference Citation
The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075612, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Mg5Si9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.25641000
_cell_length_b 7.54350689
_cell_length_c 10.51400315
_cell_angle_alpha 95.65288735
_cell_angle_beta 104.28753594
_cell_angle_gamma 112.20259578
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg5Si9
_chemical_formula_sum 'Mg10 Si18'
_cell_volume 504.43782060
_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 0.55669700 0.96453200 0.58877900 1.0
Mg Mg1 1 0.87939600 0.09515500 0.43143200 1.0
Mg Mg2 1 0.16075100 0.57755900 0.54524500 1.0
Mg Mg3 1 0.69413400 0.39793000 0.33490900 1.0
Mg Mg4 1 0.78575800 0.67859300 0.57835000 1.0
Mg Mg5 1 0.38581300 0.29458100 0.49481400 1.0
Mg Mg6 1 0.69499300 0.08782900 0.13566900 1.0
Mg Mg7 1 0.58110000 0.27387100 0.81464500 1.0
Mg Mg8 1 0.88612300 0.54212300 0.11811600 1.0
Mg Mg9 1 0.01261200 0.28900500 0.95001100 1.0
Si Si10 1 0.18003600 0.13468500 0.17505900 1.0
Si Si11 1 0.41814400 0.52911000 0.95776700 1.0
Si Si12 1 0.03245300 0.80194100 0.38074800 1.0
Si Si13 1 0.16058700 0.31204900 0.72728400 1.0
Si Si14 1 0.10849800 0.38080900 0.28991300 1.0
Si Si15 1 0.01230100 0.96453700 0.78912000 1.0
Si Si16 1 0.27097600 0.72133000 0.07334300 1.0
Si Si17 1 0.91731000 0.63705200 0.86956300 1.0
Si Si18 1 0.69915700 0.76170400 0.21835000 1.0
Si Si19 1 0.19041300 0.00773200 0.61414500 1.0
Si Si20 1 0.60713600 0.93212100 0.85529100 1.0
Si Si21 1 0.86231300 0.87244600 0.02343300 1.0
Si Si22 1 0.33426600 0.93406000 0.29548000 1.0
Si Si23 1 0.50437800 0.59204700 0.74650400 1.0
Si Si24 1 0.31924900 0.94630900 0.92687000 1.0
Si Si25 1 0.44471100 0.27171200 0.06724900 1.0
Si Si26 1 0.83482700 0.34477100 0.62930000 1.0
Si Si27 1 0.46543400 0.65431100 0.36835000 1.0
