Mg7Si4
Traditional Materials TRAMP-ID: mp-1074830 · Space group: P1 (#1)
Basic Information
Formula
Mg7Si4
MP-ID
mp-1074830
Elements
2
Sites
22
Density
2.1414
g/cm³
Volume
438.08
ų
Cell a
5.5470
Å
Cell b
6.1410
Å
Cell c
13.2184
Å
α Angle
97.07
°
β Angle
101.35
°
γ Angle
89.38
°
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 |
|---|---|---|---|
| 13.77 | 6.4306 | 23.0 | (0,0,2) |
| 14.54 | 6.0938 | 5.9 | (0,1,0) |
| 15.30 | 5.7901 | 4.4 | (0,1,-1) |
| 16.30 | 5.4381 | 1.1 | (1,0,0) |
| 16.40 | 5.4051 | 25.8 | (1,0,-1) |
| 16.85 | 5.2616 | 1.0 | (0,1,1) |
| 18.79 | 4.7235 | 12.1 | (0,1,-2) |
| 18.93 | 4.6885 | 10.0 | (1,0,1) |
| 19.19 | 4.6257 | 1.1 | (1,0,-2) |
| 21.29 | 4.1738 | 2.5 | (0,1,2) |
| 21.75 | 4.0854 | 3.5 | (1,-1,0) |
| 22.40 | 3.9692 | 2.1 | (1,-1,-1) |
| 23.27 | 3.8224 | 5.4 | (1,-1,1) |
| 23.76 | 3.7442 | 12.9 | (1,0,-3) |
| 23.86 | 3.7294 | 2.4 | (0,1,-3) |
| 26.60 | 3.3508 | 2.1 | (1,-1,2) |
| 26.69 | 3.3398 | 2.2 | (1,1,-3) |
| 27.75 | 3.2153 | 1.6 | (0,0,4) |
| 28.95 | 3.0843 | 11.9 | (1,0,3) |
| 29.28 | 3.0504 | 1.1 | (0,2,-1) |
| 29.31 | 3.0469 | 12.7 | (0,2,0) |
| 29.35 | 3.0426 | 3.6 | (1,0,-4) |
| 29.78 | 3.0005 | 5.1 | (0,1,-4) |
| 30.89 | 2.8950 | 12.1 | (0,2,-2) |
Energy Properties
Formation Energy/atom
0.08919
eV/atom
Energy/atom
-2.92123
eV/atom
Energy above Hull
0.1929
eV/atom
Uncorrected Energy
-2.9470
eV/atom
Volume/atom
19.91
ų
c/a Ratio
2.3830
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0019
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
0.767
Family
Mg-based Alloy
Matrix Element
Mg · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074830
Reference Citation
The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074830, 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 5.54704200
_cell_length_b 6.14098903
_cell_length_c 13.21843843
_cell_angle_alpha 97.06512812
_cell_angle_beta 101.34651758
_cell_angle_gamma 89.38043480
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg7Si4
_chemical_formula_sum 'Mg14 Si8'
_cell_volume 438.08301596
_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 0.98388400 0.73335900 0.81866000 1.0
Mg Mg1 1 0.14141800 0.22863900 0.75266800 1.0
Mg Mg2 1 0.69024600 0.90987100 0.61721200 1.0
Mg Mg3 1 0.56787000 0.42548400 0.66655800 1.0
Mg Mg4 1 0.04262700 0.40498800 0.00437600 1.0
Mg Mg5 1 0.78363000 0.70996200 0.39586400 1.0
Mg Mg6 1 0.24895000 0.66258600 0.23310700 1.0
Mg Mg7 1 0.82037300 0.21817900 0.45729800 1.0
Mg Mg8 1 0.52643800 0.54782600 0.91138900 1.0
Mg Mg9 1 0.42408300 0.08072400 0.95917500 1.0
Mg Mg10 1 0.96772000 0.91563000 0.04357000 1.0
Mg Mg11 1 0.37862900 0.17622100 0.23026800 1.0
Mg Mg12 1 0.30705200 0.49967100 0.44875200 1.0
Mg Mg13 1 0.32105300 0.99450800 0.42594700 1.0
Si Si14 1 0.52882400 0.82160400 0.11093800 1.0
Si Si15 1 0.45043500 0.83459600 0.76986000 1.0
Si Si16 1 0.71818700 0.15928400 0.82260200 1.0
Si Si17 1 0.91919100 0.35874100 0.26415500 1.0
Si Si18 1 0.59381500 0.43538600 0.11407100 1.0
Si Si19 1 0.16906900 0.89520900 0.59653800 1.0
Si Si20 1 0.02701400 0.53132900 0.61109700 1.0
Si Si21 1 0.88959200 0.96730500 0.24960200 1.0
