Mg7Si4
Traditional Materials TRAMP-ID: mp-1074917 · Space group: P1 (#1)
Basic Information
Formula
Mg7Si4
MP-ID
mp-1074917
Elements
2
Sites
22
Density
2.1060
g/cm³
Volume
445.46
ų
Cell a
5.1725
Å
Cell b
6.2063
Å
Cell c
14.4153
Å
α Angle
83.91
°
β Angle
80.07
°
γ Angle
78.51
°
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 |
|---|---|---|---|
| 12.50 | 7.0801 | 66.9 | (0,0,2) |
| 14.60 | 6.0651 | 16.2 | (0,1,0) |
| 16.32 | 5.4311 | 1.5 | (0,1,-1) |
| 17.85 | 4.9697 | 43.0 | (1,0,1) |
| 18.54 | 4.7852 | 4.7 | (0,1,2) |
| 19.70 | 4.5061 | 7.9 | (1,0,-1) |
| 19.97 | 4.4458 | 7.5 | (0,1,-2) |
| 20.07 | 4.4250 | 2.3 | (1,0,2) |
| 20.60 | 4.3120 | 1.4 | (1,1,1) |
| 22.25 | 3.9957 | 8.2 | (1,1,2) |
| 22.85 | 3.8924 | 7.9 | (1,1,-1) |
| 23.00 | 3.8669 | 5.0 | (0,1,3) |
| 23.30 | 3.8183 | 3.3 | (1,0,-2) |
| 23.81 | 3.7364 | 11.7 | (1,0,3) |
| 24.75 | 3.5976 | 4.5 | (0,1,-3) |
| 25.06 | 3.5528 | 3.8 | (1,-1,0) |
| 25.16 | 3.5400 | 10.3 | (0,0,4) |
| 25.44 | 3.5015 | 2.3 | (1,-1,1) |
| 26.27 | 3.3930 | 2.3 | (1,-1,-1) |
| 27.33 | 3.2638 | 3.6 | (1,-1,2) |
| 27.92 | 3.1959 | 4.2 | (1,0,-3) |
| 28.23 | 3.1614 | 5.1 | (0,1,4) |
| 28.53 | 3.1287 | 7.4 | (1,0,4) |
| 28.86 | 3.0938 | 2.9 | (1,-1,-2) |
Energy Properties
Formation Energy/atom
0.12740
eV/atom
Energy/atom
-2.88302
eV/atom
Energy above Hull
0.2311
eV/atom
Uncorrected Energy
-2.9088
eV/atom
Volume/atom
20.25
ų
c/a Ratio
2.7869
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0010
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
0.741
Family
Mg-based Alloy
Matrix Element
Mg · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074917
Reference Citation
The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074917, 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 5.17251600
_cell_length_b 6.20627011
_cell_length_c 14.41534344
_cell_angle_alpha 83.91090642
_cell_angle_beta 80.07104570
_cell_angle_gamma 78.51225889
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg7Si4
_chemical_formula_sum 'Mg14 Si8'
_cell_volume 445.46403399
_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 0.36816100 0.90776600 0.90344900 1.0
Mg Mg1 1 0.31090500 0.51537900 0.63757100 1.0
Mg Mg2 1 0.90385800 0.31720600 0.52441600 1.0
Mg Mg3 1 0.62546200 0.07243400 0.70151200 1.0
Mg Mg4 1 0.31036300 0.42170500 0.85252400 1.0
Mg Mg5 1 0.93063000 0.80953600 0.31572100 1.0
Mg Mg6 1 0.89727500 0.31387500 0.29610000 1.0
Mg Mg7 1 0.82727200 0.79057900 0.54504200 1.0
Mg Mg8 1 0.87021900 0.68117500 0.00367900 1.0
Mg Mg9 1 0.79704000 0.19653400 0.94213300 1.0
Mg Mg10 1 0.25011000 0.24861500 0.07965900 1.0
Mg Mg11 1 0.29529600 0.75096300 0.12467200 1.0
Mg Mg12 1 0.41977300 0.67272000 0.42597500 1.0
Mg Mg13 1 0.47674600 0.16928200 0.44174700 1.0
Si Si14 1 0.74034200 0.96716400 0.13977600 1.0
Si Si15 1 0.09632800 0.13178900 0.75190700 1.0
Si Si16 1 0.78206500 0.48126200 0.72389300 1.0
Si Si17 1 0.37137100 0.43329000 0.27684300 1.0
Si Si18 1 0.70039800 0.36726000 0.12853000 1.0
Si Si19 1 0.90561100 0.77882700 0.81464200 1.0
Si Si20 1 0.24506300 0.95789500 0.59776600 1.0
Si Si21 1 0.37561700 0.01465300 0.27613500 1.0
