Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074844 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074844

Elements

Sites

Density

2.1894

g/cm³

Volume

428.50

Å³

Cell a

5.1120

Cell b

5.9458

Cell c

14.3215

α Angle

93.85

β Angle

99.35

γ Angle

90.24

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
6.27	14.0978	9.5	(0,0,1)
12.56	7.0489	35.4	(0,0,2)
15.81	5.6068	1.1	(0,1,-1)
17.58	5.0435	19.4	(1,0,0)
17.68	5.0153	3.7	(1,0,-1)
18.88	4.6993	2.2	(0,0,3)
19.64	4.5206	2.0	(1,0,1)
19.91	4.4605	1.8	(1,0,-2)
23.30	3.8175	3.4	(1,0,2)
23.33	3.8131	1.2	(0,1,-3)
23.33	3.8125	3.0	(1,-1,-1)
24.61	3.6174	3.0	(1,1,-2)
27.54	3.2385	1.5	(1,1,-3)
27.98	3.1885	3.0	(1,0,3)
28.41	3.1412	1.2	(1,1,2)
28.56	3.1257	2.6	(0,1,-4)
28.67	3.1135	3.6	(1,-1,-3)
30.13	2.9659	2.1	(0,2,0)
30.37	2.9433	1.2	(0,2,-1)
30.38	2.9425	2.9	(0,1,4)
31.09	2.8767	1.9	(1,-1,3)
31.24	2.8630	4.1	(0,2,1)
31.55	2.8360	1.4	(1,1,-4)
31.74	2.8196	27.7	(0,0,5)

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Energy Properties

Formation Energy/atom

0.12537

eV/atom

Energy/atom

-2.88504

eV/atom

Energy above Hull

0.2290

eV/atom

Uncorrected Energy

-2.9109

eV/atom

Volume/atom

19.48

Å³

c/a Ratio

2.8015

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0026

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

0.743

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjecn aaadzmxm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074844

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074844, 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   5.11199500
_cell_length_b   5.94578801
_cell_length_c   14.32148260
_cell_angle_alpha   93.84550891
_cell_angle_beta   99.35219756
_cell_angle_gamma   90.23733470
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   428.49613202
_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  0.31672500  0.86330000  0.88995800  1.0
  Mg  Mg1  1  0.91272900  0.57100300  0.64113100  1.0
  Mg  Mg2  1  0.35453500  0.42626300  0.52629700  1.0
  Mg  Mg3  1  0.26531900  0.10216200  0.70422800  1.0
  Mg  Mg4  1  0.31518200  0.36799800  0.89420100  1.0
  Mg  Mg5  1  0.21530500  0.65505500  0.30350500  1.0
  Mg  Mg6  1  0.20205400  0.15810000  0.30304000  1.0
  Mg  Mg7  1  0.28909000  0.92048500  0.50634600  1.0
  Mg  Mg8  1  0.84375100  0.62515200  0.95368400  1.0
  Mg  Mg9  1  0.84515800  0.12652700  0.97523700  1.0
  Mg  Mg10  1  0.39552600  0.14879400  0.10138400  1.0
  Mg  Mg11  1  0.43920400  0.64942500  0.10202900  1.0
  Mg  Mg12  1  0.75931600  0.70269600  0.42976200  1.0
  Mg  Mg13  1  0.80615200  0.20811700  0.44502100  1.0
  Si  Si14  1  0.95422900  0.86373900  0.13720300  1.0
  Si  Si15  1  0.78266900  0.30255100  0.78908100  1.0
  Si  Si16  1  0.45426800  0.58684700  0.72680900  1.0
  Si  Si17  1  0.68874600  0.39041600  0.26631000  1.0
  Si  Si18  1  0.94582400  0.43284800  0.13531600  1.0
  Si  Si19  1  0.79142200  0.88730700  0.78803000  1.0
  Si  Si20  1  0.74685100  0.05522900  0.62063300  1.0
  Si  Si21  1  0.67954600  0.95589400  0.26448400  1.0

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