Mg4Si7
Traditional Materials TRAMP-ID: mp-1074080 · Space group: Pm (#6)
Basic Information
Formula
Mg4Si7
MP-ID
mp-1074080
Elements
2
Sites
22
Density
2.5227
g/cm³
Volume
386.80
ų
Cell a
4.0892
Å
Cell b
6.7047
Å
Cell c
14.3768
Å
α Angle
78.91
°
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 |
|---|---|---|---|
| 6.26 | 14.1083 | 14.1 | (0,0,1) |
| 12.55 | 7.0541 | 3.0 | (0,0,2) |
| 13.71 | 6.4577 | 34.7 | (0,1,1) |
| 16.56 | 5.3524 | 3.5 | (0,1,2) |
| 20.15 | 4.4071 | 1.9 | (0,1,-2) |
| 21.00 | 4.2302 | 1.1 | (0,1,3) |
| 21.73 | 4.0892 | 8.7 | (1,0,0) |
| 22.64 | 3.9276 | 5.8 | (1,0,1) |
| 25.17 | 3.5378 | 1.7 | (1,0,2) |
| 25.31 | 3.5190 | 3.0 | (0,1,-3) |
| 26.61 | 3.3494 | 1.2 | (0,2,1) |
| 27.63 | 3.2289 | 3.6 | (0,2,2) |
| 29.03 | 3.0756 | 1.5 | (0,2,-1) |
| 29.81 | 2.9976 | 6.7 | (1,1,-2) |
| 31.71 | 2.8217 | 1.5 | (0,0,5) |
| 32.02 | 2.7954 | 1.4 | (0,1,5) |
| 32.16 | 2.7834 | 3.5 | (0,2,-2) |
| 33.48 | 2.6762 | 1.4 | (0,2,4) |
| 33.55 | 2.6708 | 5.4 | (1,0,4) |
| 33.60 | 2.6673 | 8.8 | (1,1,-3) |
| 34.35 | 2.6108 | 90.4 | (1,1,4) |
| 34.62 | 2.5912 | 18.1 | (1,2,1) |
| 35.01 | 2.5632 | 28.4 | (1,2,0) |
| 35.42 | 2.5341 | 23.6 | (1,2,2) |
Energy Properties
Formation Energy/atom
0.18781
eV/atom
Energy/atom
-3.85756
eV/atom
Energy above Hull
0.2471
eV/atom
Uncorrected Energy
-3.9027
eV/atom
Volume/atom
17.58
ų
c/a Ratio
3.5158
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0013
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
0.521
Family
Binary Alloy
Matrix Element
Si · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074080
Reference Citation
The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074080, 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 4.08922800
_cell_length_b 6.70465400
_cell_length_c 14.37682851
_cell_angle_alpha 78.90817235
_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 386.80447487
_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 0.87336600 0.00968200 1.0
Mg Mg1 1 0.50000000 0.52158400 0.50228200 1.0
Mg Mg2 1 0.00000000 0.27196000 0.66251400 1.0
Mg Mg3 1 0.00000000 0.75824300 0.34330700 1.0
Mg Mg4 1 0.50000000 0.82949800 0.17544300 1.0
Mg Mg5 1 0.50000000 0.20562100 0.84645500 1.0
Mg Mg6 1 0.00000000 0.80268400 0.58267600 1.0
Mg Mg7 1 0.00000000 0.24395800 0.41776200 1.0
Si Si8 1 0.50000000 0.17794100 0.04067200 1.0
Si Si9 1 0.50000000 0.68708800 0.89913100 1.0
Si Si10 1 0.00000000 0.38267600 0.97177800 1.0
Si Si11 1 0.50000000 0.52443400 0.06632800 1.0
Si Si12 1 0.50000000 0.92204900 0.43964300 1.0
Si Si13 1 0.50000000 0.12445200 0.55852500 1.0
Si Si14 1 0.00000000 0.89162300 0.81594100 1.0
Si Si15 1 0.00000000 0.13436800 0.18344500 1.0
Si Si16 1 0.50000000 0.48423100 0.31174000 1.0
Si Si17 1 0.50000000 0.56069800 0.69358600 1.0
Si Si18 1 0.00000000 0.53732100 0.80301000 1.0
Si Si19 1 0.00000000 0.51409000 0.17438700 1.0
Si Si20 1 0.50000000 0.13724300 0.28622400 1.0
Si Si21 1 0.50000000 0.91851300 0.71186700 1.0
