Mg4Si7
Traditional Materials TRAMP-ID: mp-1074141 · Space group: Pm (#6)
Basic Information
Formula
Mg4Si7
MP-ID
mp-1074141
Elements
2
Sites
22
Density
2.4962
g/cm³
Volume
390.91
ų
Cell a
3.9795
Å
Cell b
6.7235
Å
Cell c
14.6221
Å
α Angle
87.68
°
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 |
|---|---|---|---|
| 6.05 | 14.6101 | 4.5 | (0,0,1) |
| 12.12 | 7.3051 | 4.7 | (0,0,2) |
| 13.18 | 6.7180 | 4.6 | (0,1,0) |
| 14.29 | 6.1996 | 8.1 | (0,1,1) |
| 14.73 | 6.0120 | 1.8 | (0,1,-1) |
| 17.57 | 5.0477 | 7.1 | (0,1,2) |
| 18.30 | 4.8481 | 2.8 | (0,1,-2) |
| 22.11 | 4.0211 | 3.2 | (0,1,3) |
| 22.34 | 3.9795 | 8.8 | (1,0,0) |
| 22.99 | 3.8693 | 2.5 | (0,1,-3) |
| 23.17 | 3.8396 | 10.9 | (1,0,1) |
| 24.37 | 3.6525 | 1.7 | (0,0,4) |
| 25.49 | 3.4946 | 7.4 | (1,0,2) |
| 26.54 | 3.3590 | 6.9 | (0,2,0) |
| 26.62 | 3.3489 | 3.2 | (1,1,1) |
| 27.00 | 3.3029 | 6.3 | (0,2,1) |
| 27.32 | 3.2648 | 2.6 | (0,1,4) |
| 28.28 | 3.1558 | 4.0 | (0,1,-4) |
| 28.56 | 3.1251 | 4.4 | (1,1,2) |
| 28.98 | 3.0815 | 4.8 | (1,0,3) |
| 30.60 | 2.9220 | 3.0 | (0,0,5) |
| 31.63 | 2.8285 | 11.4 | (1,1,3) |
| 31.74 | 2.8189 | 4.1 | (0,2,3) |
| 32.27 | 2.7741 | 6.1 | (1,1,-3) |
Energy Properties
Formation Energy/atom
0.17585
eV/atom
Energy/atom
-3.86952
eV/atom
Energy above Hull
0.2351
eV/atom
Uncorrected Energy
-3.9147
eV/atom
Volume/atom
17.77
ų
c/a Ratio
3.6744
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
0.529
Family
Binary Alloy
Matrix Element
Si · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074141
Reference Citation
The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074141, 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 3.97946200
_cell_length_b 6.72349500
_cell_length_c 14.62207897
_cell_angle_alpha 87.68100457
_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 390.90637729
_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 0.93664400 0.93398600 1.0
Mg Mg1 1 0.50000000 0.65898500 0.50437700 1.0
Mg Mg2 1 0.00000000 0.83296200 0.34954900 1.0
Mg Mg3 1 0.00000000 0.46488500 0.65638900 1.0
Mg Mg4 1 0.50000000 0.45195900 0.83801600 1.0
Mg Mg5 1 0.00000000 0.46305900 0.18839500 1.0
Mg Mg6 1 0.00000000 0.34901600 0.41892600 1.0
Mg Mg7 1 0.00000000 0.96681500 0.57881200 1.0
Si Si8 1 0.00000000 0.61832300 0.96103700 1.0
Si Si9 1 0.00000000 0.24893700 0.96424100 1.0
Si Si10 1 0.50000000 0.21731100 0.07417000 1.0
Si Si11 1 0.50000000 0.59308600 0.05955800 1.0
Si Si12 1 0.50000000 0.27370900 0.55692600 1.0
Si Si13 1 0.50000000 0.04138000 0.43672000 1.0
Si Si14 1 0.50000000 0.80156100 0.18893700 1.0
Si Si15 1 0.00000000 0.13797100 0.80606900 1.0
Si Si16 1 0.50000000 0.75753300 0.69257000 1.0
Si Si17 1 0.00000000 0.05008800 0.18251600 1.0
Si Si18 1 0.50000000 0.54970600 0.31824300 1.0
Si Si19 1 0.00000000 0.76732400 0.80453600 1.0
Si Si20 1 0.50000000 0.11992500 0.70651600 1.0
Si Si21 1 0.50000000 0.19514900 0.28306300 1.0
