Mg7Si4
Traditional Materials TRAMP-ID: mp-1074849 · Space group: P1 (#1)
Basic Information
Formula
Mg7Si4
MP-ID
mp-1074849
Elements
2
Sites
22
Density
2.1319
g/cm³
Volume
440.05
ų
Cell a
5.4085
Å
Cell b
6.1472
Å
Cell c
13.7157
Å
α Angle
80.13
°
β Angle
81.83
°
γ Angle
80.50
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 6.59 | 13.4197 | 9.1 | (0,0,1) |
| 13.20 | 6.7098 | 13.9 | (0,0,2) |
| 15.25 | 5.8094 | 5.3 | (0,1,1) |
| 16.74 | 5.2975 | 7.4 | (1,0,0) |
| 17.09 | 5.1873 | 5.9 | (0,1,-1) |
| 17.26 | 5.1375 | 34.4 | (1,0,1) |
| 18.29 | 4.8495 | 11.9 | (0,1,2) |
| 19.85 | 4.4732 | 7.6 | (0,0,3) |
| 20.10 | 4.4173 | 6.5 | (1,0,2) |
| 20.42 | 4.3489 | 1.1 | (1,1,1) |
| 20.71 | 4.2881 | 2.8 | (1,1,0) |
| 21.32 | 4.1671 | 11.3 | (0,1,-2) |
| 22.57 | 3.9393 | 11.7 | (1,0,-2) |
| 23.02 | 3.8633 | 1.8 | (1,1,-1) |
| 23.97 | 3.7121 | 1.7 | (1,-1,0) |
| 24.49 | 3.6342 | 1.4 | (1,0,3) |
| 24.81 | 3.5886 | 23.8 | (1,-1,-1) |
| 24.96 | 3.5671 | 1.8 | (1,-1,1) |
| 25.69 | 3.4676 | 1.4 | (1,1,3) |
| 26.57 | 3.3549 | 5.2 | (0,0,4) |
| 26.61 | 3.3498 | 1.6 | (0,1,-3) |
| 26.85 | 3.3200 | 9.4 | (1,1,-2) |
| 27.32 | 3.2644 | 2.6 | (1,-1,-2) |
| 27.57 | 3.2359 | 1.4 | (1,0,-3) |
Energy Properties
Formation Energy/atom
0.06972
eV/atom
Energy/atom
-2.94069
eV/atom
Energy above Hull
0.1734
eV/atom
Uncorrected Energy
-2.9665
eV/atom
Volume/atom
20.00
ų
c/a Ratio
2.5359
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0023
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.636
Element Family
N/A
Solute Fraction
0.364
Interstitial Fraction
0.364
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.780
Family
Mg-based Alloy
Matrix Element
Mg · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074849
Reference Citation
The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074849, 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_Mg7Si4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40854100
_cell_length_b 6.14718616
_cell_length_c 13.71568531
_cell_angle_alpha 80.13406866
_cell_angle_beta 81.82526577
_cell_angle_gamma 80.49648788
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg7Si4
_chemical_formula_sum 'Mg14 Si8'
_cell_volume 440.04512373
_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 0.99306900 0.10338100 0.70544200 1.0
Mg Mg1 1 0.79693500 0.57705800 0.82271600 1.0
Mg Mg2 1 0.55173400 0.92799600 0.62321800 1.0
Mg Mg3 1 0.39827300 0.44617700 0.68075100 1.0
Mg Mg4 1 0.71878300 0.34177900 0.07460400 1.0
Mg Mg5 1 0.66902000 0.70099000 0.42767400 1.0
Mg Mg6 1 0.43854200 0.07267100 0.27924800 1.0
Mg Mg7 1 0.29322100 0.35333900 0.46906500 1.0
Mg Mg8 1 0.27591000 0.34749900 0.93194700 1.0
Mg Mg9 1 0.41164400 0.77811500 0.00060100 1.0
Mg Mg10 1 0.89819200 0.99551500 0.93371800 1.0
Mg Mg11 1 0.78197100 0.74859400 0.15855400 1.0
Mg Mg12 1 0.88324800 0.28924100 0.31486600 1.0
Mg Mg13 1 0.12294800 0.88972500 0.49532800 1.0
Si Si14 1 0.12619500 0.03846600 0.12598100 1.0
Si Si15 1 0.51071400 0.05663000 0.81068200 1.0
Si Si16 1 0.27069800 0.75019800 0.81564700 1.0
Si Si17 1 0.39764800 0.51560300 0.26774700 1.0
Si Si18 1 0.19036700 0.41538400 0.12992200 1.0
Si Si19 1 0.78928900 0.27499600 0.52253200 1.0
Si Si20 1 0.91640100 0.54441900 0.61226100 1.0
Si Si21 1 0.06515400 0.82480300 0.30116700 1.0
