Mg15Si
Traditional Materials TRAMP-ID: mp-1023509 · Space group: P-6m2 (#187)
Basic Information
Formula
Mg15Si
MP-ID
mp-1023509
Elements
2
Sites
16
Density
1.8432
g/cm³
Volume
353.74
ų
Cell a
6.3176
Å
Cell b
6.3176
Å
Cell c
10.2342
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 14)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 32.74 | 2.7356 | 24.1 | (2,0,-2,0) |
| 35.07 | 2.5585 | 26.3 | (0,0,0,4) |
| 37.27 | 2.4125 | 100.0 | (2,0,-2,2) |
| 48.73 | 1.8686 | 14.9 | (2,0,-2,4) |
| 58.43 | 1.5794 | 11.3 | (4,-2,-2,0) |
| 58.43 | 1.5794 | 5.7 | (2,2,-4,0) |
| 64.37 | 1.4474 | 18.5 | (2,0,-2,6) |
| 68.61 | 1.3678 | 1.7 | (4,0,-4,0) |
| 70.01 | 1.3440 | 19.0 | (4,-2,-2,4) |
| 71.38 | 1.3214 | 13.4 | (4,0,-4,2) |
| 74.12 | 1.2793 | 2.6 | (0,0,0,8) |
| 79.45 | 1.2063 | 1.1 | (4,-4,0,4) |
| 79.45 | 1.2063 | 2.1 | (4,0,-4,4) |
| 83.40 | 1.1588 | 2.8 | (2,0,-2,8) |
Energy Properties
Formation Energy/atom
0.05871
eV/atom
Energy/atom
-1.80894
eV/atom
Energy above Hull
0.0791
eV/atom
Uncorrected Energy
-1.8134
eV/atom
Volume/atom
22.11
ų
c/a Ratio
1.6200
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0026
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 · 0.938
Element Family
N/A
Solute Fraction
0.063
Interstitial Fraction
0.063
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.832
Family
Mg-based Alloy
Matrix Element
Mg · 0.938
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1023509
Reference Citation
The crystal structure and related material properties of Mg15Si were obtained from the Materials Project database (MP-ID: mp-1023509, 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_Mg15Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31760439
_cell_length_b 6.31760439
_cell_length_c 10.23417600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000404
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg15Si
_chemical_formula_sum 'Mg15 Si1'
_cell_volume 353.74340215
_cell_formula_units_Z 1
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 0.66666700 0.33333300 0.50000000 1.0
Mg Mg1 1 0.16505500 0.33011000 0.00000000 1.0
Mg Mg2 1 0.16718400 0.33436900 0.50000000 1.0
Mg Mg3 1 0.16505500 0.83494500 0.00000000 1.0
Mg Mg4 1 0.16718400 0.83281600 0.50000000 1.0
Mg Mg5 1 0.66989000 0.83494500 0.00000000 1.0
Mg Mg6 1 0.66563100 0.83281600 0.50000000 1.0
Mg Mg7 1 0.99609600 0.49804800 0.24459000 1.0
Mg Mg8 1 0.99609600 0.49804800 0.75541000 1.0
Mg Mg9 1 0.50195200 0.49804800 0.24459000 1.0
Mg Mg10 1 0.50195200 0.49804800 0.75541000 1.0
Mg Mg11 1 0.50195200 0.00390400 0.24459000 1.0
Mg Mg12 1 0.50195200 0.00390400 0.75541000 1.0
Mg Mg13 1 0.00000000 0.00000000 0.25054600 1.0
Mg Mg14 1 0.00000000 0.00000000 0.74945400 1.0
Si Si15 1 0.66666700 0.33333300 0.00000000 1.0
