Mg9Si5
传统材料 TRAMP-ID: mp-1074069 · Space group: P1 (#1)
Basic Information
Formula
Mg9Si5
MP-ID
mp-1074069
Elements
2
Sites
28
Density
2.1696
g/cm³
Volume
549.80
ų
Cell a
7.4096
Å
Cell b
7.5638
Å
Cell c
11.5719
Å
α Angle
82.70
°
β Angle
76.14
°
γ Angle
60.84
°
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 |
|---|---|---|---|
| 13.98 | 6.3328 | 3.5 | (1,0,0) |
| 14.05 | 6.3026 | 3.3 | (1,1,0) |
| 14.56 | 6.0852 | 3.5 | (1,1,1) |
| 15.48 | 5.7240 | 2.4 | (0,1,1) |
| 17.43 | 5.0885 | 3.6 | (1,0,-1) |
| 18.76 | 4.7307 | 1.4 | (1,1,2) |
| 18.85 | 4.7087 | 6.1 | (1,0,2) |
| 20.63 | 4.3049 | 1.2 | (0,1,2) |
| 20.89 | 4.2533 | 1.8 | (0,1,-2) |
| 23.22 | 3.8305 | 7.6 | (1,0,-2) |
| 23.63 | 3.7649 | 6.7 | (1,-1,0) |
| 23.75 | 3.7459 | 10.6 | (1,2,0) |
| 23.76 | 3.7448 | 6.3 | (0,0,3) |
| 24.01 | 3.7070 | 4.8 | (1,2,1) |
| 24.05 | 3.7002 | 13.5 | (1,-1,1) |
| 24.10 | 3.6921 | 7.0 | (2,1,1) |
| 24.75 | 3.5969 | 8.0 | (2,1,0) |
| 24.90 | 3.5758 | 10.0 | (1,1,3) |
| 25.02 | 3.5588 | 4.9 | (1,0,3) |
| 25.81 | 3.4523 | 1.8 | (1,-1,-1) |
| 26.02 | 3.4244 | 1.9 | (2,1,2) |
| 26.95 | 3.3082 | 1.9 | (1,-1,2) |
| 27.00 | 3.3022 | 2.1 | (0,2,0) |
| 27.23 | 3.2748 | 4.2 | (0,1,3) |
Energy Properties
Formation Energy/atom
0.04839
eV/atom
Energy/atom
-2.93738
eV/atom
Energy above Hull
0.1531
eV/atom
Uncorrected Energy
-2.9627
eV/atom
Volume/atom
19.64
ų
c/a Ratio
1.5618
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0113
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.643
Element Family
N/A
Solute Fraction
0.357
Interstitial Fraction
0.357
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.797
Family
Mg-based Alloy
Matrix Element
Mg · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074069
Reference Citation
The crystal structure and related material properties of Mg9Si5 were obtained from the Materials Project database (MP-ID: mp-1074069, 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 7.40958500
_cell_length_b 7.56375407
_cell_length_c 11.57188931
_cell_angle_alpha 82.70066482
_cell_angle_beta 76.14471474
_cell_angle_gamma 60.83506519
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg9Si5
_chemical_formula_sum 'Mg18 Si10'
_cell_volume 549.79809012
_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 0.01200900 0.29199700 0.28595700 1.0
Mg Mg1 1 0.16827600 0.91437400 0.44459300 1.0
Mg Mg2 1 0.27025300 0.51584100 0.35535700 1.0
Mg Mg3 1 0.92394300 0.34152300 0.54693100 1.0
Mg Mg4 1 0.49225200 0.06359900 0.29406100 1.0
Mg Mg5 1 0.77491100 0.78376700 0.45210100 1.0
Mg Mg6 1 0.02757500 0.71809800 0.82537000 1.0
Mg Mg7 1 0.10056400 0.32124300 0.99178100 1.0
Mg Mg8 1 0.82223500 0.29099200 0.82724900 1.0
Mg Mg9 1 0.37051700 0.58920200 0.95436600 1.0
Mg Mg10 1 0.37372100 0.96903800 0.82860500 1.0
Mg Mg11 1 0.60200000 0.07076800 0.99000800 1.0
Mg Mg12 1 0.35546500 0.18430000 0.57979500 1.0
Mg Mg13 1 0.87243700 0.70241000 0.14885900 1.0
Mg Mg14 1 0.44789600 0.59619800 0.61440400 1.0
Mg Mg15 1 0.67657600 0.36495400 0.14575300 1.0
Mg Mg16 1 0.76003300 0.03029900 0.65300000 1.0
Mg Mg17 1 0.35845100 0.84652000 0.15286200 1.0
Si Si18 1 0.00871800 0.99324600 0.01804700 1.0
Si Si19 1 0.12735300 0.99003100 0.68128500 1.0
Si Si20 1 0.68520500 0.20932100 0.42022700 1.0
Si Si21 1 0.94054400 0.97263500 0.25644800 1.0
Si Si22 1 0.41904800 0.31655500 0.79957700 1.0
Si Si23 1 0.59098200 0.62659200 0.34355600 1.0
Si Si24 1 0.70238000 0.65633300 0.95720700 1.0
Si Si25 1 0.29639800 0.38058900 0.14556000 1.0
Si Si26 1 0.08026400 0.59499700 0.58313200 1.0
Si Si27 1 0.73943200 0.66471600 0.70421100 1.0
