Mg4Si7
Traditional Materials TRAMP-ID: mp-1074193 · Space group: Pm (#6)
Basic Information
Formula
Mg4Si7
MP-ID
mp-1074193
Elements
2
Sites
22
Density
2.5037
g/cm³
Volume
389.74
ų
Cell a
3.9409
Å
Cell b
6.9346
Å
Cell c
14.2661
Å
α Angle
88.55
°
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 |
|---|---|---|---|
| 6.20 | 14.2615 | 15.9 | (0,0,1) |
| 12.41 | 7.1308 | 3.2 | (0,0,2) |
| 12.77 | 6.9324 | 11.6 | (0,1,0) |
| 14.06 | 6.2977 | 3.7 | (0,1,1) |
| 17.62 | 5.0346 | 2.8 | (0,1,2) |
| 22.41 | 3.9676 | 2.1 | (0,1,3) |
| 22.56 | 3.9409 | 6.3 | (1,0,0) |
| 22.95 | 3.8752 | 6.1 | (0,1,-3) |
| 23.42 | 3.7985 | 16.1 | (1,0,1) |
| 24.97 | 3.5654 | 1.6 | (0,0,4) |
| 25.70 | 3.4662 | 2.3 | (0,2,0) |
| 25.83 | 3.4492 | 7.1 | (1,0,2) |
| 26.01 | 3.4260 | 1.2 | (1,1,0) |
| 26.31 | 3.3879 | 1.1 | (0,2,1) |
| 26.62 | 3.3488 | 2.5 | (0,2,-1) |
| 27.85 | 3.2037 | 1.1 | (0,1,4) |
| 28.34 | 3.1489 | 3.0 | (0,2,2) |
| 29.44 | 3.0339 | 2.4 | (1,0,3) |
| 31.36 | 2.8523 | 1.2 | (0,0,5) |
| 32.01 | 2.7960 | 3.6 | (1,1,3) |
| 32.35 | 2.7677 | 1.8 | (0,2,-3) |
| 32.40 | 2.7631 | 18.6 | (1,1,-3) |
| 33.67 | 2.6615 | 2.1 | (0,1,5) |
| 33.91 | 2.6439 | 5.5 | (1,0,4) |
Energy Properties
Formation Energy/atom
0.18906
eV/atom
Energy/atom
-3.85631
eV/atom
Energy above Hull
0.2483
eV/atom
Uncorrected Energy
-3.9015
eV/atom
Volume/atom
17.72
ų
c/a Ratio
3.6200
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0008
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
0.520
Family
Binary Alloy
Matrix Element
Si · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074193
Reference Citation
The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074193, 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 3.94086300
_cell_length_b 6.93462400
_cell_length_c 14.26606846
_cell_angle_alpha 88.55265465
_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 389.74448597
_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 0.91098600 0.92779600 1.0
Mg Mg1 1 0.50000000 0.61905000 0.50139500 1.0
Mg Mg2 1 0.00000000 0.79248300 0.34977400 1.0
Mg Mg3 1 0.00000000 0.43134200 0.66109500 1.0
Mg Mg4 1 0.50000000 0.43579100 0.84642900 1.0
Mg Mg5 1 0.50000000 0.50799800 0.08687600 1.0
Mg Mg6 1 0.00000000 0.30820500 0.41436100 1.0
Mg Mg7 1 0.00000000 0.93904900 0.58020200 1.0
Si Si8 1 0.00000000 0.61844800 0.96102100 1.0
Si Si9 1 0.00000000 0.25557500 0.97764600 1.0
Si Si10 1 0.50000000 0.12403000 0.07994000 1.0
Si Si11 1 0.00000000 0.86010700 0.09462900 1.0
Si Si12 1 0.50000000 0.24483800 0.55782400 1.0
Si Si13 1 0.50000000 0.00227600 0.44206800 1.0
Si Si14 1 0.50000000 0.80469700 0.20356100 1.0
Si Si15 1 0.00000000 0.11879800 0.81748400 1.0
Si Si16 1 0.50000000 0.74186500 0.69636500 1.0
Si Si17 1 0.00000000 0.30229800 0.21336500 1.0
Si Si18 1 0.50000000 0.50787300 0.30051900 1.0
Si Si19 1 0.00000000 0.75234600 0.80119300 1.0
Si Si20 1 0.50000000 0.10556700 0.71411800 1.0
Si Si21 1 0.50000000 0.11275400 0.27587800 1.0
