Mg7Si4
Traditional Materials TRAMP-ID: mp-1074792 · Space group: P1 (#1)
Basic Information
Formula
Mg7Si4
MP-ID
mp-1074792
Elements
2
Sites
22
Density
2.1742
g/cm³
Volume
431.49
ų
Cell a
4.5102
Å
Cell b
6.1878
Å
Cell c
15.4950
Å
α Angle
93.37
°
β Angle
91.72
°
γ Angle
90.05
°
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 |
|---|---|---|---|
| 5.72 | 15.4611 | 1.1 | (0,0,1) |
| 11.45 | 7.7305 | 11.0 | (0,0,2) |
| 15.13 | 5.8563 | 1.1 | (0,1,-1) |
| 17.21 | 5.1537 | 3.0 | (0,0,3) |
| 18.91 | 4.6928 | 4.7 | (0,1,2) |
| 19.69 | 4.5081 | 11.9 | (1,0,0) |
| 20.69 | 4.2932 | 1.8 | (1,0,1) |
| 21.80 | 4.0771 | 1.1 | (0,1,-3) |
| 23.12 | 3.8473 | 3.2 | (0,1,3) |
| 23.14 | 3.8441 | 3.4 | (1,0,2) |
| 25.86 | 3.4451 | 1.3 | (1,0,-3) |
| 26.47 | 3.3670 | 1.1 | (0,1,-4) |
| 27.94 | 3.1932 | 1.7 | (0,1,4) |
| 28.87 | 3.0922 | 12.9 | (0,0,5) |
| 28.91 | 3.0885 | 2.1 | (0,2,0) |
| 29.15 | 3.0636 | 2.2 | (0,2,-1) |
| 29.83 | 2.9950 | 2.2 | (0,2,1) |
| 30.17 | 2.9621 | 1.4 | (1,-1,-3) |
| 30.53 | 2.9281 | 2.1 | (0,2,-2) |
| 31.83 | 2.8116 | 3.2 | (0,2,2) |
| 32.80 | 2.7304 | 34.6 | (1,1,-4) |
| 32.92 | 2.7208 | 13.5 | (0,2,-3) |
| 33.62 | 2.6661 | 27.0 | (1,-1,4) |
| 33.98 | 2.6387 | 37.8 | (1,-1,-4) |
Energy Properties
Formation Energy/atom
0.08840
eV/atom
Energy/atom
-2.92201
eV/atom
Energy above Hull
0.1921
eV/atom
Uncorrected Energy
-2.9478
eV/atom
Volume/atom
19.61
ų
c/a Ratio
3.4356
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
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-1074792
Reference Citation
The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074792, 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 4.51015200
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975
_cell_angle_beta 91.72385019
_cell_angle_gamma 90.04907515
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg7Si4
_chemical_formula_sum 'Mg14 Si8'
_cell_volume 431.48693776
_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 0.01468200 0.04324000 0.82506900 1.0
Mg Mg1 1 0.50970100 0.70504300 0.75865000 1.0
Mg Mg2 1 0.99384100 0.90374800 0.63463000 1.0
Mg Mg3 1 0.00232700 0.40329300 0.68631500 1.0
Mg Mg4 1 0.04167300 0.27487900 0.00814000 1.0
Mg Mg5 1 0.47729100 0.84277400 0.44271000 1.0
Mg Mg6 1 0.95759400 0.29419600 0.21730100 1.0
Mg Mg7 1 0.47202100 0.34922700 0.36627700 1.0
Mg Mg8 1 0.52397000 0.35084800 0.88239300 1.0
Mg Mg9 1 0.52578700 0.83129200 0.94906000 1.0
Mg Mg10 1 0.04403000 0.78406500 0.09818100 1.0
Mg Mg11 1 0.96072700 0.78683000 0.30739400 1.0
Mg Mg12 1 0.98247300 0.11914000 0.46356700 1.0
Mg Mg13 1 0.98362400 0.57427400 0.48483400 1.0
Si Si14 1 0.54453100 0.09299400 0.09207200 1.0
Si Si15 1 0.50498800 0.12304800 0.72254200 1.0
Si Si16 1 0.02050200 0.61450100 0.86166500 1.0
Si Si17 1 0.45270000 0.60615200 0.22844100 1.0
Si Si18 1 0.55302300 0.48796700 0.07785200 1.0
Si Si19 1 0.49623000 0.20537300 0.56802400 1.0
Si Si20 1 0.48907600 0.59555600 0.58748400 1.0
Si Si21 1 0.45281900 0.00413100 0.24106600 1.0
