Mg7Si4
Traditional Materials TRAMP-ID: mp-1074833 · Space group: P1 (#1)
Basic Information
Formula
Mg7Si4
MP-ID
mp-1074833
Elements
2
Sites
22
Density
2.1273
g/cm³
Volume
440.99
ų
Cell a
5.2716
Å
Cell b
6.1421
Å
Cell c
13.8581
Å
α Angle
91.31
°
β Angle
100.36
°
γ Angle
91.77
°
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 |
|---|---|---|---|
| 6.49 | 13.6264 | 1.9 | (0,0,1) |
| 12.99 | 6.8132 | 15.8 | (0,0,2) |
| 14.43 | 6.1366 | 2.6 | (0,1,0) |
| 16.01 | 5.5357 | 2.3 | (0,1,1) |
| 17.11 | 5.1823 | 3.0 | (1,0,0) |
| 17.17 | 5.1638 | 40.1 | (1,0,-1) |
| 19.18 | 4.6268 | 16.4 | (0,1,-2) |
| 19.39 | 4.5769 | 4.7 | (1,0,1) |
| 19.75 | 4.4955 | 2.6 | (0,1,2) |
| 22.05 | 4.0308 | 3.0 | (1,-1,0) |
| 22.78 | 3.9042 | 1.8 | (1,1,-1) |
| 22.85 | 3.8916 | 2.2 | (1,1,0) |
| 23.60 | 3.7702 | 4.7 | (1,0,-3) |
| 23.77 | 3.7435 | 5.0 | (1,-1,1) |
| 24.25 | 3.6701 | 1.0 | (1,-1,-2) |
| 24.74 | 3.5985 | 3.0 | (1,1,1) |
| 26.16 | 3.4066 | 1.3 | (0,0,4) |
| 27.04 | 3.2979 | 1.3 | (1,-1,2) |
| 27.75 | 3.2151 | 4.2 | (1,-1,-3) |
| 27.80 | 3.2096 | 1.8 | (1,1,-3) |
| 28.37 | 3.1457 | 9.6 | (1,0,3) |
| 28.64 | 3.1169 | 1.5 | (1,0,-4) |
| 29.10 | 3.0683 | 14.9 | (0,2,0) |
| 29.62 | 3.0157 | 10.8 | (0,1,-4) |
Energy Properties
Formation Energy/atom
0.08910
eV/atom
Energy/atom
-2.92131
eV/atom
Energy above Hull
0.1928
eV/atom
Uncorrected Energy
-2.9471
eV/atom
Volume/atom
20.05
ų
c/a Ratio
2.6288
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0032
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 · 0.636
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-1074833
Reference Citation
The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074833, 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 5.27158300
_cell_length_b 6.14211346
_cell_length_c 13.85811138
_cell_angle_alpha 91.31204766
_cell_angle_beta 100.36132828
_cell_angle_gamma 91.77177320
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg7Si4
_chemical_formula_sum 'Mg14 Si8'
_cell_volume 440.99420121
_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 0.93912900 0.94740500 0.83410200 1.0
Mg Mg1 1 0.13937300 0.40052600 0.75493900 1.0
Mg Mg2 1 0.60839400 0.17710000 0.62439300 1.0
Mg Mg3 1 0.58972200 0.67045000 0.65479100 1.0
Mg Mg4 1 0.02598500 0.43508900 0.98993900 1.0
Mg Mg5 1 0.83233300 0.18551000 0.44304800 1.0
Mg Mg6 1 0.27173100 0.66774200 0.23386900 1.0
Mg Mg7 1 0.78792900 0.68138500 0.39213700 1.0
Mg Mg8 1 0.49939000 0.68055100 0.91852300 1.0
Mg Mg9 1 0.49332500 0.16491400 0.96729600 1.0
Mg Mg10 1 0.02958700 0.94263200 0.05730500 1.0
Mg Mg11 1 0.40165100 0.18102100 0.23615700 1.0
Mg Mg12 1 0.31051600 0.92417200 0.44507700 1.0
Mg Mg13 1 0.32901800 0.42775800 0.43425800 1.0
Si Si14 1 0.56413700 0.85842000 0.11378900 1.0
Si Si15 1 0.40329900 0.99007100 0.77605400 1.0
Si Si16 1 0.66127800 0.35335400 0.80622800 1.0
Si Si17 1 0.92222800 0.36150200 0.26484100 1.0
Si Si18 1 0.65044500 0.47199500 0.11364200 1.0
Si Si19 1 0.07483700 0.95289200 0.61564700 1.0
Si Si20 1 0.06578000 0.56303700 0.57258500 1.0
Si Si21 1 0.89994000 0.96992300 0.25509000 1.0
