Mg7Si4
Traditional Materials TRAMP-ID: mp-1074788 · Space group: P1 (#1)
Basic Information
Formula
Mg7Si4
MP-ID
mp-1074788
Elements
2
Sites
22
Density
2.1084
g/cm³
Volume
444.95
ų
Cell a
5.4530
Å
Cell b
6.2070
Å
Cell c
13.5597
Å
α Angle
102.87
°
β Angle
95.88
°
γ Angle
89.96
°
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 |
|---|---|---|---|
| 13.47 | 6.5730 | 35.7 | (0,0,2) |
| 14.69 | 6.0321 | 3.6 | (0,1,-1) |
| 16.35 | 5.4229 | 5.7 | (1,0,0) |
| 17.02 | 5.2097 | 34.4 | (1,0,-1) |
| 17.56 | 5.0499 | 10.4 | (0,1,-2) |
| 18.34 | 4.8373 | 2.0 | (1,0,1) |
| 20.10 | 4.4169 | 2.6 | (1,0,-2) |
| 21.76 | 4.0846 | 8.9 | (1,-1,0) |
| 22.23 | 3.9995 | 8.2 | (0,1,-3) |
| 22.26 | 3.9930 | 1.1 | (1,1,0) |
| 22.32 | 3.9828 | 2.8 | (1,0,2) |
| 22.32 | 3.9827 | 4.6 | (1,-1,1) |
| 23.27 | 3.8234 | 1.2 | (1,-1,-1) |
| 24.72 | 3.6019 | 2.2 | (1,1,1) |
| 24.74 | 3.5980 | 4.5 | (1,0,-3) |
| 24.82 | 3.5870 | 1.6 | (1,-1,2) |
| 26.51 | 3.3624 | 1.1 | (1,-1,-2) |
| 27.13 | 3.2865 | 3.0 | (0,0,4) |
| 27.48 | 3.2458 | 13.4 | (1,0,3) |
| 27.68 | 3.2227 | 1.4 | (0,1,3) |
| 27.84 | 3.2043 | 5.7 | (0,1,-4) |
| 28.65 | 3.1157 | 3.5 | (1,1,2) |
| 28.77 | 3.1034 | 1.5 | (0,2,-1) |
| 28.79 | 3.1013 | 1.9 | (1,-1,3) |
Energy Properties
Formation Energy/atom
0.06906
eV/atom
Energy/atom
-2.94136
eV/atom
Energy above Hull
0.1727
eV/atom
Uncorrected Energy
-2.9672
eV/atom
Volume/atom
20.23
ų
c/a Ratio
2.4866
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0048
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-1074788
Reference Citation
The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074788, 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 5.45303200
_cell_length_b 6.20695458
_cell_length_c 13.55967521
_cell_angle_alpha 102.86783954
_cell_angle_beta 95.88464210
_cell_angle_gamma 89.95914403
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg7Si4
_chemical_formula_sum 'Mg14 Si8'
_cell_volume 444.95105965
_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 0.00969400 0.72284700 0.80960000 1.0
Mg Mg1 1 0.18104600 0.20102200 0.75697600 1.0
Mg Mg2 1 0.74558300 0.90240500 0.60878900 1.0
Mg Mg3 1 0.56838200 0.41236200 0.65438900 1.0
Mg Mg4 1 0.00857600 0.35113000 0.98729800 1.0
Mg Mg5 1 0.71902900 0.75884300 0.38033400 1.0
Mg Mg6 1 0.23805900 0.69930700 0.23790700 1.0
Mg Mg7 1 0.73491000 0.27025300 0.43557300 1.0
Mg Mg8 1 0.50349900 0.55725800 0.91834900 1.0
Mg Mg9 1 0.48123500 0.08447200 0.96954700 1.0
Mg Mg10 1 0.02313800 0.87649500 0.04575400 1.0
Mg Mg11 1 0.36421400 0.20314200 0.23429400 1.0
Mg Mg12 1 0.24607500 0.52676700 0.43523800 1.0
Mg Mg13 1 0.24936600 0.04047200 0.47577500 1.0
Si Si14 1 0.54872500 0.83355900 0.11385100 1.0
Si Si15 1 0.50948700 0.82053800 0.78210500 1.0
Si Si16 1 0.70568800 0.17705900 0.80328200 1.0
Si Si17 1 0.89767500 0.39020500 0.25683600 1.0
Si Si18 1 0.60955200 0.45303100 0.11828800 1.0
Si Si19 1 0.24008500 0.79418400 0.62587300 1.0
Si Si20 1 0.04662400 0.43346600 0.60571600 1.0
Si Si21 1 0.86945800 0.00228200 0.24792600 1.0
