Mg4Si7
Traditional Materials TRAMP-ID: mp-1074106 · Space group: Pm (#6)
Basic Information
Formula
Mg4Si7
MP-ID
mp-1074106
Elements
2
Sites
22
Density
2.5239
g/cm³
Volume
386.62
ų
Cell a
3.9352
Å
Cell b
7.0446
Å
Cell c
14.1234
Å
α Angle
80.92
°
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 |
|---|---|---|---|
| 6.34 | 13.9463 | 17.1 | (0,0,1) |
| 12.69 | 6.9731 | 1.2 | (0,0,2) |
| 12.73 | 6.9562 | 4.2 | (0,1,0) |
| 13.30 | 6.6589 | 5.2 | (0,1,1) |
| 16.52 | 5.3666 | 3.8 | (0,1,2) |
| 23.49 | 3.7874 | 22.9 | (1,0,1) |
| 24.66 | 3.6107 | 5.7 | (0,1,-3) |
| 25.40 | 3.5073 | 2.0 | (0,2,1) |
| 25.55 | 3.4866 | 1.4 | (0,0,4) |
| 26.78 | 3.3295 | 4.1 | (0,2,2) |
| 27.39 | 3.2562 | 2.7 | (0,2,-1) |
| 28.12 | 3.1735 | 2.4 | (1,1,2) |
| 29.74 | 3.0036 | 1.1 | (1,0,3) |
| 30.44 | 2.9368 | 2.3 | (0,1,-4) |
| 30.48 | 2.9330 | 3.4 | (0,2,-2) |
| 31.21 | 2.8660 | 3.5 | (1,1,3) |
| 32.09 | 2.7893 | 1.7 | (0,0,5) |
| 32.65 | 2.7428 | 1.1 | (0,1,5) |
| 33.39 | 2.6833 | 2.2 | (0,2,4) |
| 33.69 | 2.6605 | 2.5 | (1,1,-3) |
| 34.25 | 2.6183 | 59.4 | (1,2,1) |
| 34.36 | 2.6097 | 3.5 | (1,0,4) |
| 34.41 | 2.6061 | 12.5 | (1,2,0) |
| 35.28 | 2.5442 | 100.0 | (1,1,4) |
Energy Properties
Formation Energy/atom
0.18652
eV/atom
Energy/atom
-3.85885
eV/atom
Energy above Hull
0.2458
eV/atom
Uncorrected Energy
-3.9040
eV/atom
Volume/atom
17.57
ų
c/a Ratio
3.5890
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0004
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
0.522
Family
Binary Alloy
Matrix Element
Si · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074106
Reference Citation
The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074106, 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 3.93524400
_cell_length_b 7.04458600
_cell_length_c 14.12338502
_cell_angle_alpha 80.91624172
_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 386.62046247
_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 0.14738300 0.07390900 1.0
Mg Mg1 1 0.50000000 0.34829500 0.49446200 1.0
Mg Mg2 1 0.00000000 0.14813900 0.65248100 1.0
Mg Mg3 1 0.00000000 0.57204800 0.33953900 1.0
Mg Mg4 1 0.50000000 0.61788100 0.15108600 1.0
Mg Mg5 1 0.00000000 0.49789000 0.81343300 1.0
Mg Mg6 1 0.00000000 0.64022900 0.58356100 1.0
Mg Mg7 1 0.00000000 0.05713400 0.42362800 1.0
Si Si8 1 0.00000000 0.45572200 0.01751400 1.0
Si Si9 1 0.00000000 0.85304500 0.02618100 1.0
Si Si10 1 0.50000000 0.66748900 0.94687500 1.0
Si Si11 1 0.00000000 0.16968900 0.93329500 1.0
Si Si12 1 0.50000000 0.74055100 0.44509800 1.0
Si Si13 1 0.50000000 0.95066100 0.56489600 1.0
Si Si14 1 0.50000000 0.14818800 0.82812200 1.0
Si Si15 1 0.00000000 0.92264300 0.19138400 1.0
Si Si16 1 0.50000000 0.28880000 0.30087800 1.0
Si Si17 1 0.00000000 0.88048900 0.81727300 1.0
Si Si18 1 0.50000000 0.40981600 0.68895200 1.0
Si Si19 1 0.00000000 0.30256200 0.18831500 1.0
Si Si20 1 0.50000000 0.93411100 0.29124100 1.0
Si Si21 1 0.50000000 0.75086800 0.72435900 1.0
