Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074803 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074803

Elements

Sites

Density

2.1135

g/cm³

Volume

443.88

Å³

Cell a

5.4426

Cell b

6.2211

Cell c

13.1764

α Angle

87.02

β Angle

85.19

γ Angle

88.60

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
13.50	6.5568	19.6	(0,0,2)
16.35	5.4224	16.9	(1,0,0)
17.17	5.1639	2.2	(1,0,1)
18.21	4.8707	8.7	(1,0,-1)
19.18	4.6265	13.2	(0,1,2)
20.37	4.3593	6.7	(1,0,2)
21.54	4.1263	4.5	(1,1,0)
21.95	4.0492	3.3	(1,1,1)
22.12	4.0186	14.3	(1,0,-2)
23.20	3.8337	1.6	(1,-1,-1)
23.21	3.8320	3.0	(1,1,-1)
24.30	3.6621	1.0	(0,1,3)
24.36	3.6544	3.1	(1,1,2)
25.09	3.5495	3.7	(1,0,3)
25.54	3.4879	1.4	(1,-1,2)
27.20	3.2784	1.7	(0,0,4)
27.24	3.2734	2.8	(1,0,-3)
28.28	3.1560	1.7	(1,1,3)
28.75	3.1057	6.6	(0,2,0)
29.22	3.0567	7.8	(0,2,1)
29.65	3.0127	2.2	(1,-1,3)
29.90	2.9887	3.3	(0,2,-1)
30.18	2.9612	8.9	(0,1,4)
30.55	2.9266	3.9	(1,-1,-3)

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Energy Properties

Formation Energy/atom

0.08581

eV/atom

Energy/atom

-2.92461

eV/atom

Energy above Hull

0.1895

eV/atom

Uncorrected Energy

-2.9504

eV/atom

Volume/atom

20.18

Å³

c/a Ratio

2.4210

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0015

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

0.769

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjebp aaadzqwf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074803

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074803, 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   5.44261400
_cell_length_b   6.22108629
_cell_length_c   13.17636452
_cell_angle_alpha   87.02191328
_cell_angle_beta   85.19262868
_cell_angle_gamma   88.59915878
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   443.87776613
_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  0.90394500  0.84690000  0.19352600  1.0
  Mg  Mg1  1  0.70058600  0.34752300  0.23997400  1.0
  Mg  Mg2  1  0.10543000  0.14911400  0.37745400  1.0
  Mg  Mg3  1  0.25403400  0.62194900  0.35612200  1.0
  Mg  Mg4  1  0.97925600  0.43651400  0.00495300  1.0
  Mg  Mg5  1  0.49218100  0.24161100  0.53797500  1.0
  Mg  Mg6  1  0.89808500  0.67542100  0.77213100  1.0
  Mg  Mg7  1  0.47382400  0.72007100  0.59304900  1.0
  Mg  Mg8  1  0.44703700  0.66165400  0.08181200  1.0
  Mg  Mg9  1  0.51083400  0.16758300  0.03096700  1.0
  Mg  Mg10  1  0.01759500  0.94015100  0.95724400  1.0
  Mg  Mg11  1  0.76935300  0.19274000  0.76816300  1.0
  Mg  Mg12  1  0.96515500  0.94564900  0.57310300  1.0
  Mg  Mg13  1  0.98460400  0.45473900  0.56519500  1.0
  Si  Si14  1  0.51028500  0.87328300  0.88507300  1.0
  Si  Si15  1  0.40195000  0.96977000  0.22342200  1.0
  Si  Si16  1  0.20911400  0.32492800  0.19008100  1.0
  Si  Si17  1  0.27894500  0.38010900  0.73149400  1.0
  Si  Si18  1  0.47867400  0.48805500  0.88022900  1.0
  Si  Si19  1  0.62400300  0.97573300  0.38555100  1.0
  Si  Si20  1  0.73626500  0.60133300  0.40310100  1.0
  Si  Si21  1  0.26243500  0.99256500  0.74569300  1.0

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