Mg4Si7
Traditional Materials TRAMP-ID: mp-1074110 · Space group: Pm (#6)
Basic Information
Formula
Mg4Si7
MP-ID
mp-1074110
Elements
2
Sites
22
Density
2.5191
g/cm³
Volume
387.37
ų
Cell a
3.9022
Å
Cell b
6.4798
Å
Cell c
15.5365
Å
α Angle
80.41
°
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 |
|---|---|---|---|
| 5.77 | 15.3195 | 5.7 | (0,0,1) |
| 11.55 | 7.6598 | 6.8 | (0,0,2) |
| 13.86 | 6.3894 | 6.8 | (0,1,0) |
| 14.10 | 6.2803 | 1.5 | (0,1,1) |
| 15.89 | 5.5763 | 2.1 | (0,1,-1) |
| 19.52 | 4.5481 | 1.2 | (0,1,-2) |
| 22.79 | 3.9022 | 7.7 | (1,0,0) |
| 23.53 | 3.7815 | 8.7 | (1,0,1) |
| 24.05 | 3.6998 | 2.2 | (0,1,-3) |
| 25.04 | 3.5565 | 2.1 | (0,1,4) |
| 25.62 | 3.4770 | 2.5 | (1,0,2) |
| 26.77 | 3.3302 | 4.3 | (1,1,0) |
| 26.90 | 3.3145 | 3.0 | (1,1,1) |
| 27.56 | 3.2370 | 10.3 | (0,2,1) |
| 27.93 | 3.1947 | 8.5 | (0,2,0) |
| 28.28 | 3.1559 | 4.2 | (1,1,2) |
| 28.79 | 3.1006 | 1.6 | (1,0,3) |
| 29.11 | 3.0674 | 1.8 | (0,1,-4) |
| 29.15 | 3.0639 | 2.1 | (0,0,5) |
| 29.50 | 3.0282 | 1.3 | (0,2,-1) |
| 30.75 | 2.9073 | 14.3 | (1,1,3) |
| 32.10 | 2.7882 | 6.4 | (0,2,-2) |
| 32.76 | 2.7334 | 6.8 | (1,0,4) |
| 33.37 | 2.6849 | 56.1 | (1,1,-3) |
Energy Properties
Formation Energy/atom
0.17981
eV/atom
Energy/atom
-3.86556
eV/atom
Energy above Hull
0.2391
eV/atom
Uncorrected Energy
-3.9107
eV/atom
Volume/atom
17.61
ų
c/a Ratio
3.9815
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0010
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
0.526
Family
Binary Alloy
Matrix Element
Si · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1074110
Reference Citation
The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074110, 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 3.90221600
_cell_length_b 6.47984000
_cell_length_c 15.53648059
_cell_angle_alpha 80.41378010
_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 387.36560618
_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 0.00000000 0.93786400 0.90361200 1.0
Mg Mg1 1 0.00000000 0.39201400 0.50389600 1.0
Mg Mg2 1 0.50000000 0.28525100 0.34909000 1.0
Mg Mg3 1 0.50000000 0.52187900 0.65562600 1.0
Mg Mg4 1 0.00000000 0.44978400 0.84443600 1.0
Mg Mg5 1 0.50000000 0.73050000 0.19233400 1.0
Mg Mg6 1 0.50000000 0.74410900 0.41822200 1.0
Mg Mg7 1 0.50000000 0.05066900 0.58069100 1.0
Si Si8 1 0.50000000 0.20585800 0.97306900 1.0
Si Si9 1 0.50000000 0.58778400 0.97511300 1.0
Si Si10 1 0.00000000 0.66828500 0.06047400 1.0
Si Si11 1 0.00000000 0.40298000 0.19292100 1.0
Si Si12 1 0.00000000 0.76091900 0.55546200 1.0
Si Si13 1 0.00000000 0.03985500 0.43467200 1.0
Si Si14 1 0.50000000 0.15642100 0.17700800 1.0
Si Si15 1 0.50000000 0.76274700 0.80987600 1.0
Si Si16 1 0.00000000 0.20215200 0.69583500 1.0
Si Si17 1 0.00000000 0.04945300 0.07132700 1.0
Si Si18 1 0.00000000 0.58889400 0.31776700 1.0
Si Si19 1 0.50000000 0.17235800 0.80375300 1.0
Si Si20 1 0.00000000 0.82186600 0.70755500 1.0
Si Si21 1 0.00000000 0.97202000 0.28083900 1.0
