Mg4Si7
Traditional Materials TRAMP-ID: mp-1074195 · Space group: Pm (#6)
Basic Information
Formula
Mg4Si7
MP-ID
mp-1074195
Elements
2
Sites
22
Density
2.4807
g/cm³
Volume
393.36
ų
Cell a
4.6204
Å
Cell b
6.1489
Å
Cell c
13.8459
Å
α Angle
89.70
°
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 |
|---|---|---|---|
| 6.38 | 13.8457 | 11.7 | (0,0,1) |
| 14.41 | 6.1488 | 1.3 | (0,1,0) |
| 15.74 | 5.6307 | 6.2 | (0,1,1) |
| 19.21 | 4.6204 | 8.3 | (1,0,0) |
| 19.23 | 4.6152 | 3.5 | (0,0,3) |
| 20.26 | 4.3828 | 6.6 | (1,0,1) |
| 23.14 | 3.8431 | 4.2 | (1,0,2) |
| 24.05 | 3.7006 | 2.3 | (0,1,3) |
| 24.93 | 3.5718 | 2.1 | (1,1,1) |
| 27.31 | 3.2653 | 1.8 | (1,0,3) |
| 27.40 | 3.2546 | 1.5 | (1,1,-2) |
| 29.55 | 3.0232 | 7.2 | (0,1,4) |
| 29.68 | 3.0095 | 4.4 | (0,1,-4) |
| 29.73 | 3.0047 | 5.0 | (0,2,1) |
| 30.96 | 2.8884 | 3.8 | (1,1,3) |
| 31.06 | 2.8794 | 2.2 | (1,1,-3) |
| 31.78 | 2.8153 | 10.5 | (0,2,2) |
| 31.91 | 2.8043 | 14.6 | (0,2,-2) |
| 32.32 | 2.7703 | 1.6 | (1,0,4) |
| 32.33 | 2.7691 | 5.0 | (0,0,5) |
| 34.98 | 2.5650 | 2.9 | (0,2,3) |
| 35.06 | 2.5596 | 5.8 | (1,2,0) |
| 35.16 | 2.5525 | 5.0 | (0,2,-3) |
| 35.48 | 2.5299 | 15.6 | (0,1,5) |
Energy Properties
Formation Energy/atom
0.20836
eV/atom
Energy/atom
-3.83701
eV/atom
Energy above Hull
0.2676
eV/atom
Uncorrected Energy
-3.8822
eV/atom
Volume/atom
17.88
ų
c/a Ratio
2.9967
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
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
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
0.507
Family
Binary Alloy
Matrix Element
Si · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074195
Reference Citation
The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074195, 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 4.62036200
_cell_length_b 6.14891200
_cell_length_c 13.84591279
_cell_angle_alpha 89.69686203
_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 393.35963688
_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 0.00000000 0.08960400 0.08882300 1.0
Mg Mg1 1 0.00000000 0.37471900 0.53987400 1.0
Mg Mg2 1 0.50000000 0.98354700 0.72601100 1.0
Mg Mg3 1 0.50000000 0.58458600 0.32181000 1.0
Mg Mg4 1 0.00000000 0.56324800 0.17298500 1.0
Mg Mg5 1 0.50000000 0.57950600 0.86100200 1.0
Mg Mg6 1 0.50000000 0.71667500 0.54118200 1.0
Mg Mg7 1 0.50000000 0.11472100 0.42002100 1.0
Si Si8 1 0.00000000 0.30731300 0.91621200 1.0
Si Si9 1 0.00000000 0.68322600 0.97917500 1.0
Si Si10 1 0.50000000 0.79534300 0.04510600 1.0
Si Si11 1 0.50000000 0.16857300 0.96606700 1.0
Si Si12 1 0.00000000 0.75271200 0.42619400 1.0
Si Si13 1 0.00000000 0.95887900 0.57917500 1.0
Si Si14 1 0.00000000 0.89327100 0.83381500 1.0
Si Si15 1 0.50000000 0.97234400 0.20663700 1.0
Si Si16 1 0.00000000 0.32982900 0.34639000 1.0
Si Si17 1 0.00000000 0.25807400 0.74332000 1.0
Si Si18 1 0.50000000 0.41981500 0.68030600 1.0
Si Si19 1 0.50000000 0.33606700 0.12644200 1.0
Si Si20 1 0.00000000 0.96136400 0.28212400 1.0
Si Si21 1 0.00000000 0.66023200 0.69372900 1.0
