Mg4Si7
Traditional Materials TRAMP-ID: mp-1074108 · Space group: Pm (#6)
Basic Information
Formula
Mg4Si7
MP-ID
mp-1074108
Elements
2
Sites
22
Density
2.5148
g/cm³
Volume
388.02
ų
Cell a
4.3266
Å
Cell b
6.5714
Å
Cell c
13.6534
Å
α Angle
88.33
°
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 |
|---|---|---|---|
| 6.48 | 13.6476 | 32.7 | (0,0,1) |
| 12.97 | 6.8238 | 1.1 | (0,0,2) |
| 13.48 | 6.5686 | 2.9 | (0,1,0) |
| 14.80 | 5.9873 | 4.4 | (0,1,1) |
| 18.47 | 4.8028 | 2.8 | (0,1,2) |
| 19.02 | 4.6649 | 2.0 | (0,1,-2) |
| 19.51 | 4.5492 | 2.3 | (0,0,3) |
| 20.53 | 4.3266 | 8.5 | (1,0,0) |
| 21.55 | 4.1243 | 11.7 | (1,0,1) |
| 23.46 | 3.7920 | 3.2 | (0,1,3) |
| 24.12 | 3.6898 | 3.2 | (0,1,-3) |
| 24.36 | 3.6540 | 1.2 | (1,0,2) |
| 26.12 | 3.4119 | 1.3 | (0,0,4) |
| 27.15 | 3.2843 | 1.2 | (0,2,0) |
| 27.75 | 3.2145 | 1.9 | (0,2,1) |
| 28.13 | 3.1722 | 2.6 | (0,2,-1) |
| 31.37 | 2.8517 | 5.4 | (1,1,3) |
| 31.88 | 2.8075 | 1.8 | (1,1,-3) |
| 33.17 | 2.7005 | 1.5 | (0,2,3) |
| 33.45 | 2.6791 | 5.9 | (1,0,4) |
| 34.13 | 2.6268 | 4.8 | (0,2,-3) |
| 34.28 | 2.6160 | 22.6 | (1,2,0) |
| 34.77 | 2.5803 | 9.1 | (1,2,1) |
| 35.08 | 2.5582 | 33.5 | (1,2,-1) |
Energy Properties
Formation Energy/atom
0.18482
eV/atom
Energy/atom
-3.86056
eV/atom
Energy above Hull
0.2441
eV/atom
Uncorrected Energy
-3.9057
eV/atom
Volume/atom
17.64
ų
c/a Ratio
3.1557
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0023
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
Si · 0.636
Element Family
N/A
Solute Fraction
0.364
Interstitial Fraction
0.636
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.523
Family
Binary Alloy
Matrix Element
Si · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074108
Reference Citation
The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074108, 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_Mg4Si7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32657700
_cell_length_b 6.57138500
_cell_length_c 13.65338106
_cell_angle_alpha 88.32915503
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg4Si7
_chemical_formula_sum 'Mg8 Si14'
_cell_volume 388.02246546
_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 0.91310500 0.92644700 1.0
Mg Mg1 1 0.50000000 0.61797600 0.50793600 1.0
Mg Mg2 1 0.00000000 0.80775000 0.33284000 1.0
Mg Mg3 1 0.00000000 0.43021400 0.65899300 1.0
Mg Mg4 1 0.50000000 0.41686900 0.85426900 1.0
Mg Mg5 1 0.00000000 0.37727100 0.18908600 1.0
Mg Mg6 1 0.00000000 0.29197000 0.41739500 1.0
Mg Mg7 1 0.00000000 0.92802000 0.58695200 1.0
Si Si8 1 0.00000000 0.61735700 0.97852100 1.0
Si Si9 1 0.00000000 0.22884300 0.97638900 1.0
Si Si10 1 0.50000000 0.53096400 0.05472200 1.0
Si Si11 1 0.50000000 0.75913400 0.18908900 1.0
Si Si12 1 0.50000000 0.23732000 0.56195000 1.0
Si Si13 1 0.50000000 0.99169700 0.43803100 1.0
Si Si14 1 0.50000000 0.16160300 0.08088600 1.0
Si Si15 1 0.00000000 0.11450500 0.80648100 1.0
Si Si16 1 0.50000000 0.71677000 0.71098500 1.0
Si Si17 1 0.00000000 0.90352600 0.11461300 1.0
Si Si18 1 0.50000000 0.49750500 0.31848000 1.0
Si Si19 1 0.00000000 0.73672200 0.80712400 1.0
Si Si20 1 0.50000000 0.08755700 0.72036200 1.0
Si Si21 1 0.50000000 0.12965000 0.27201000 1.0
