Mg7Si4
Traditional Materials TRAMP-ID: mp-1074891 · Space group: Pm (#6)
Basic Information
Formula
Mg7Si4
MP-ID
mp-1074891
Elements
2
Sites
22
Density
2.0953
g/cm³
Volume
447.74
ų
Cell a
3.5498
Å
Cell b
8.5128
Å
Cell c
14.8280
Å
α Angle
87.74
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 5.97 | 14.8165 | 5.6 | (0,0,1) |
| 10.40 | 8.5062 | 4.1 | (0,1,0) |
| 11.79 | 7.5058 | 10.0 | (0,1,1) |
| 11.95 | 7.4083 | 29.9 | (0,0,2) |
| 12.20 | 7.2544 | 7.8 | (0,1,-1) |
| 15.55 | 5.6990 | 3.9 | (0,1,2) |
| 17.96 | 4.9388 | 1.5 | (0,0,3) |
| 20.43 | 4.3462 | 1.1 | (0,1,3) |
| 20.89 | 4.2531 | 1.7 | (0,2,0) |
| 21.15 | 4.1998 | 2.7 | (0,1,-3) |
| 21.51 | 4.1314 | 1.8 | (0,2,1) |
| 23.71 | 3.7529 | 1.7 | (0,2,2) |
| 25.09 | 3.5498 | 2.3 | (1,0,0) |
| 25.85 | 3.4462 | 2.5 | (0,1,4) |
| 26.62 | 3.3481 | 1.4 | (0,1,-4) |
| 27.12 | 3.2875 | 4.1 | (0,2,3) |
| 27.22 | 3.2760 | 6.4 | (1,1,0) |
| 27.80 | 3.2090 | 3.9 | (1,1,1) |
| 27.87 | 3.2013 | 3.2 | (1,0,2) |
| 27.98 | 3.1885 | 1.5 | (1,1,-1) |
| 29.65 | 3.0131 | 2.5 | (1,1,2) |
| 29.99 | 2.9794 | 9.9 | (1,1,-2) |
| 30.16 | 2.9633 | 1.1 | (0,0,5) |
| 31.39 | 2.8495 | 1.8 | (0,2,4) |
Energy Properties
Formation Energy/atom
0.14211
eV/atom
Energy/atom
-2.86830
eV/atom
Energy above Hull
0.2458
eV/atom
Uncorrected Energy
-2.8941
eV/atom
Volume/atom
20.35
ų
c/a Ratio
4.1771
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0002
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
Mg · 0.636
Element Family
N/A
Solute Fraction
0.364
Interstitial Fraction
0.364
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.732
Family
Mg-based Alloy
Matrix Element
Mg · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074891
Reference Citation
The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074891, 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_Mg7Si4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54980600
_cell_length_b 8.51280600
_cell_length_c 14.82803906
_cell_angle_alpha 87.73996542
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg7Si4
_chemical_formula_sum 'Mg14 Si8'
_cell_volume 447.73714673
_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 0.50000000 0.13157200 0.88624000 1.0
Mg Mg1 1 0.50000000 0.50425900 0.50698600 1.0
Mg Mg2 1 0.00000000 0.34701700 0.37060100 1.0
Mg Mg3 1 0.00000000 0.59538200 0.66351900 1.0
Mg Mg4 1 0.50000000 0.66749700 0.82453900 1.0
Mg Mg5 1 0.50000000 0.22226800 0.21895300 1.0
Mg Mg6 1 0.00000000 0.75986400 0.41318700 1.0
Mg Mg7 1 0.00000000 0.21239800 0.57105100 1.0
Mg Mg8 1 0.00000000 0.27271900 0.03936700 1.0
Mg Mg9 1 0.00000000 0.84648800 0.94771100 1.0
Mg Mg10 1 0.50000000 0.57109000 0.03350200 1.0
Mg Mg11 1 0.50000000 0.98552800 0.08294500 1.0
Mg Mg12 1 0.50000000 0.86709300 0.58341800 1.0
Mg Mg13 1 0.50000000 0.05988900 0.40596900 1.0
Si Si14 1 0.00000000 0.77013700 0.15638200 1.0
Si Si15 1 0.00000000 0.91654400 0.75266200 1.0
Si Si16 1 0.50000000 0.36641900 0.74526800 1.0
Si Si17 1 0.50000000 0.56642200 0.29513000 1.0
Si Si18 1 0.00000000 0.48532600 0.18725800 1.0
Si Si19 1 0.00000000 0.40782900 0.85379200 1.0
Si Si20 1 0.50000000 0.09016000 0.70663300 1.0
Si Si21 1 0.50000000 0.85770100 0.25849800 1.0
