Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074930 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074930

Elements

Sites

Density

2.1446

g/cm³

Volume

437.43

Å³

Cell a

4.3908

Cell b

6.5129

Cell c

15.5588

α Angle

96.86

β Angle

97.87

γ Angle

90.53

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
5.78	15.2973	12.5	(0,0,1)
11.57	7.6487	30.7	(0,0,2)
13.70	6.4642	1.3	(0,1,0)
14.21	6.2328	8.1	(0,1,-1)
15.52	5.7102	8.0	(0,1,1)
16.85	5.2633	7.3	(0,1,-2)
17.39	5.0991	6.8	(0,0,3)
20.83	4.2640	2.3	(0,1,-3)
22.07	4.0283	1.2	(1,0,-2)
23.50	3.7855	1.2	(0,1,3)
24.59	3.6201	1.1	(1,1,-1)
25.58	3.4826	2.5	(0,1,-4)
26.54	3.3589	2.2	(1,-1,-2)
26.68	3.3408	2.8	(1,1,1)
27.50	3.2432	8.7	(0,2,-1)
27.57	3.2357	3.7	(1,-1,2)
27.81	3.2075	3.2	(1,1,-3)
28.64	3.1164	1.1	(0,2,-2)
28.78	3.1023	1.1	(1,0,3)
28.87	3.0928	1.6	(1,0,-4)
28.92	3.0871	1.9	(0,2,1)
29.39	3.0389	1.0	(1,-1,-3)
30.77	2.9056	3.9	(0,1,-5)
30.79	2.9038	1.2	(1,-1,3)

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Energy Properties

Formation Energy/atom

0.12110

eV/atom

Energy/atom

-2.88932

eV/atom

Energy above Hull

0.2248

eV/atom

Uncorrected Energy

-2.9151

eV/atom

Volume/atom

19.88

Å³

c/a Ratio

3.5435

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

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

Score

0.746

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjegs aaadzsbi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074930

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074930, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Mg7Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39076000
_cell_length_b   6.51292916
_cell_length_c   15.55875609
_cell_angle_alpha   96.85662069
_cell_angle_beta   97.87454420
_cell_angle_gamma   90.52763053
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   437.43374236
_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  0.51930500  0.17844800  0.10725200  1.0
  Mg  Mg1  1  0.14509300  0.72456900  0.34697400  1.0
  Mg  Mg2  1  0.70978800  0.95802000  0.48782800  1.0
  Mg  Mg3  1  0.62003200  0.07020900  0.30085600  1.0
  Mg  Mg4  1  0.52952300  0.70192200  0.13741700  1.0
  Mg  Mg5  1  0.80591000  0.05079100  0.70458700  1.0
  Mg  Mg6  1  0.79911500  0.53291300  0.66894300  1.0
  Mg  Mg7  1  0.69686100  0.44400200  0.45762500  1.0
  Mg  Mg8  1  0.97836800  0.41022500  0.02200900  1.0
  Mg  Mg9  1  0.97253100  0.90457200  0.01262900  1.0
  Mg  Mg10  1  0.42809900  0.62540100  0.92642500  1.0
  Mg  Mg11  1  0.42284600  0.10480900  0.89114600  1.0
  Mg  Mg12  1  0.25507800  0.24413600  0.58470500  1.0
  Mg  Mg13  1  0.25087700  0.73849600  0.56921200  1.0
  Si  Si14  1  0.88512200  0.79155700  0.83784300  1.0
  Si  Si15  1  0.06292800  0.99273700  0.18853100  1.0
  Si  Si16  1  0.61442500  0.49529300  0.28331900  1.0
  Si  Si17  1  0.33873800  0.36378700  0.75764800  1.0
  Si  Si18  1  0.88672500  0.40081000  0.84226000  1.0
  Si  Si19  1  0.06499500  0.38023100  0.20255200  1.0
  Si  Si20  1  0.17323200  0.13061600  0.41450800  1.0
  Si  Si21  1  0.34036100  0.75643900  0.75209900  1.0

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