Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074815 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074815

Elements

Sites

Density

2.1551

g/cm³

Volume

435.30

Å³

Cell a

3.2906

Cell b

9.2635

Cell c

14.3126

α Angle

86.17

β Angle

89.53

γ Angle

89.73

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
9.57	9.2428	8.0	(0,1,0)
11.05	8.0067	8.6	(0,1,1)
11.75	7.5335	4.5	(0,1,-1)
12.40	7.1402	33.0	(0,0,2)
15.17	5.8421	1.3	(0,1,2)
20.41	4.3516	1.9	(0,1,3)
20.59	4.3134	1.1	(0,2,-1)
24.94	3.5701	2.1	(0,0,4)
27.10	3.2905	6.9	(1,0,0)
27.77	3.2120	2.7	(1,0,1)
27.87	3.2010	1.4	(1,0,-1)
28.76	3.1040	2.0	(1,1,0)
28.84	3.0959	1.5	(1,-1,0)
29.24	3.0539	1.2	(0,3,1)
29.26	3.0521	5.7	(1,1,1)
29.43	3.0350	7.4	(1,-1,-1)
29.62	3.0163	6.4	(1,-1,1)
29.63	3.0146	3.8	(1,1,-1)
29.81	2.9974	6.3	(1,0,2)
29.99	2.9795	8.5	(1,0,-2)
30.61	2.9211	1.1	(0,2,4)
31.07	2.8782	1.1	(1,1,2)
31.32	2.8561	3.6	(0,0,5)
31.67	2.8250	10.5	(1,-1,2)

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Energy Properties

Formation Energy/atom

0.19353

eV/atom

Energy/atom

-2.81689

eV/atom

Energy above Hull

0.2972

eV/atom

Uncorrected Energy

-2.8427

eV/atom

Volume/atom

19.79

Å³

c/a Ratio

4.3495

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0023

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

0.697

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjecd aaadzqiv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074815

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074815, 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   3.29064200
_cell_length_b   9.26351112
_cell_length_c   14.31263978
_cell_angle_alpha   86.17395567
_cell_angle_beta   89.53269400
_cell_angle_gamma   89.73228917
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   435.30015690
_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  0.62255500  0.93906000  0.12640600  1.0
  Mg  Mg1  1  0.14476200  0.45392300  0.50602700  1.0
  Mg  Mg2  1  0.64609800  0.60581700  0.64765000  1.0
  Mg  Mg3  1  0.64788900  0.31368000  0.36446800  1.0
  Mg  Mg4  1  0.63269300  0.41878700  0.17146800  1.0
  Mg  Mg5  1  0.64273000  0.84440200  0.77031500  1.0
  Mg  Mg6  1  0.64071600  0.18515000  0.57758700  1.0
  Mg  Mg7  1  0.64141600  0.70067700  0.43052000  1.0
  Mg  Mg8  1  0.14936400  0.79780300  0.95685600  1.0
  Mg  Mg9  1  0.13955900  0.21841100  0.05062200  1.0
  Mg  Mg10  1  0.65476000  0.49620600  0.96889700  1.0
  Mg  Mg11  1  0.64489600  0.07720600  0.90227500  1.0
  Mg  Mg12  1  0.58690800  0.00364300  0.38553600  1.0
  Mg  Mg13  1  0.13074200  0.89308900  0.57743500  1.0
  Si  Si14  1  0.14558800  0.31831600  0.85615500  1.0
  Si  Si15  1  0.11509800  0.14791000  0.23992300  1.0
  Si  Si16  1  0.13949600  0.55065700  0.30439200  1.0
  Si  Si17  1  0.14958600  0.35867900  0.69086800  1.0
  Si  Si18  1  0.15526200  0.59429900  0.81752800  1.0
  Si  Si19  1  0.11855700  0.67547900  0.13768200  1.0
  Si  Si20  1  0.11678700  0.81578400  0.28197000  1.0
  Si  Si21  1  0.13818700  0.08742200  0.73180700  1.0

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