Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074857 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074857

Elements

Sites

Density

2.1288

g/cm³

Volume

440.69

Å³

Cell a

5.4359

Cell b

6.2024

Cell c

13.3098

α Angle

85.90

β Angle

80.05

γ Angle

87.74

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
13.54	6.5406	22.0	(0,0,2)
14.32	6.1842	5.3	(0,1,0)
16.25	5.4542	6.2	(0,1,-1)
16.56	5.3520	3.1	(1,0,0)
16.79	5.2792	35.6	(1,0,1)
18.96	4.6814	8.2	(1,0,-1)
19.09	4.6486	1.8	(0,1,2)
19.56	4.5389	2.3	(1,0,2)
20.40	4.3531	12.1	(0,1,-2)
21.54	4.1260	3.7	(1,1,1)
21.66	4.1032	1.8	(1,1,0)
22.26	3.9929	2.2	(1,-1,0)
23.50	3.7857	3.0	(1,1,2)
23.83	3.7336	4.5	(1,1,-1)
23.85	3.7316	2.1	(1,-1,-1)
24.03	3.7041	5.0	(1,0,3)
27.12	3.2880	1.4	(1,1,3)
27.27	3.2703	2.5	(0,0,4)
27.60	3.2314	3.0	(1,1,-2)
28.53	3.1291	15.9	(1,0,-3)
28.87	3.0921	4.0	(0,2,0)
29.01	3.0778	6.3	(1,-1,3)
29.24	3.0544	10.7	(0,2,1)
29.48	3.0300	4.2	(1,0,4)

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Energy Properties

Formation Energy/atom

0.08352

eV/atom

Energy/atom

-2.92690

eV/atom

Energy above Hull

0.1872

eV/atom

Uncorrected Energy

-2.9527

eV/atom

Volume/atom

20.03

Å³

c/a Ratio

2.4485

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0052

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

0.771

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjecw aaadzixc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074857

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074857, 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   5.43585800
_cell_length_b   6.20244336
_cell_length_c   13.30976609
_cell_angle_alpha   85.90251223
_cell_angle_beta   80.04609379
_cell_angle_gamma   87.74213070
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   440.69498294
_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  0.99453500  0.08346400  0.18815600  1.0
  Mg  Mg1  1  0.16444800  0.58027100  0.24443000  1.0
  Mg  Mg2  1  0.69400500  0.77315400  0.37701400  1.0
  Mg  Mg3  1  0.56200300  0.30203700  0.35022800  1.0
  Mg  Mg4  1  0.02982000  0.55728600  0.00511900  1.0
  Mg  Mg5  1  0.77129500  0.91636100  0.56840100  1.0
  Mg  Mg6  1  0.25324600  0.36757500  0.76647100  1.0
  Mg  Mg7  1  0.73660300  0.39892300  0.59899800  1.0
  Mg  Mg8  1  0.51719500  0.31401900  0.08124000  1.0
  Mg  Mg9  1  0.48459000  0.81780900  0.02996800  1.0
  Mg  Mg10  1  0.01569200  0.06674700  0.95539000  1.0
  Mg  Mg11  1  0.37025200  0.84761400  0.77212700  1.0
  Mg  Mg12  1  0.27593500  0.11885700  0.56688500  1.0
  Mg  Mg13  1  0.26187500  0.61242800  0.53865800  1.0
  Si  Si14  1  0.55140400  0.15255700  0.88483200  1.0
  Si  Si15  1  0.48414900  0.97519700  0.22317200  1.0
  Si  Si16  1  0.69513500  0.62402300  0.19005900  1.0
  Si  Si17  1  0.92108700  0.68022300  0.72909900  1.0
  Si  Si18  1  0.62341900  0.53252200  0.87885300  1.0
  Si  Si19  1  0.16791900  0.91618200  0.38335600  1.0
  Si  Si20  1  0.02659600  0.29043800  0.41536100  1.0
  Si  Si21  1  0.89886900  0.06486300  0.74847300  1.0

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