Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074856 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074856

Elements

Sites

Density

2.1477

g/cm³

Volume

436.81

Å³

Cell a

5.3793

Cell b

6.0631

Cell c

13.8311

α Angle

99.64

β Angle

99.40

γ Angle

93.68

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
6.59	13.4204	4.6	(0,0,1)
13.19	6.7102	4.9	(0,0,2)
14.89	5.9509	1.4	(0,1,0)
15.16	5.8458	8.7	(0,1,-1)
16.78	5.2835	28.6	(1,0,0)
16.91	5.2426	3.2	(1,0,-1)
17.36	5.1085	2.9	(0,1,1)
18.05	4.9153	6.7	(0,1,-2)
19.11	4.6441	6.1	(1,0,1)
19.46	4.5620	7.6	(1,0,-2)
19.85	4.4735	2.0	(0,0,3)
21.68	4.0995	12.9	(0,1,2)
22.60	3.9337	3.1	(0,1,-3)
23.20	3.8344	4.4	(1,0,2)
23.68	3.7577	9.3	(1,0,-3)
24.08	3.6956	2.1	(1,1,-2)
25.09	3.5499	3.2	(1,-1,-2)
25.38	3.5092	1.7	(1,-1,2)
28.33	3.1502	3.3	(1,0,3)
28.89	3.0906	5.3	(1,0,-4)
29.81	2.9975	5.3	(1,1,2)
30.03	2.9754	13.8	(0,2,0)
30.59	2.9229	9.5	(0,2,-2)
31.09	2.8771	3.4	(1,1,-4)

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Energy Properties

Formation Energy/atom

0.09703

eV/atom

Energy/atom

-2.91339

eV/atom

Energy above Hull

0.2007

eV/atom

Uncorrected Energy

-2.9392

eV/atom

Volume/atom

19.85

Å³

c/a Ratio

2.5712

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0011

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

0.762

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjedi aaadzjxs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074856

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074856, 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   5.37930700
_cell_length_b   6.06310348
_cell_length_c   13.83106706
_cell_angle_alpha   99.64461422
_cell_angle_beta   99.40058644
_cell_angle_gamma   93.68189363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   436.80656098
_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  0.31206200  0.96063100  0.20295300  1.0
  Mg  Mg1  1  0.22265100  0.50358500  0.26680700  1.0
  Mg  Mg2  1  0.92550300  0.89215400  0.36216400  1.0
  Mg  Mg3  1  0.73152000  0.33418500  0.33321000  1.0
  Mg  Mg4  1  0.98571500  0.50029600  0.03833300  1.0
  Mg  Mg5  1  0.23072200  0.90532300  0.57981200  1.0
  Mg  Mg6  1  0.16575900  0.35299600  0.83717700  1.0
  Mg  Mg7  1  0.39311200  0.43269500  0.65689400  1.0
  Mg  Mg8  1  0.48118000  0.24903000  0.04936100  1.0
  Mg  Mg9  1  0.48090700  0.73477600  0.01014100  1.0
  Mg  Mg10  1  0.97902100  0.97638900  0.98085400  1.0
  Mg  Mg11  1  0.31779800  0.87141800  0.80593400  1.0
  Mg  Mg12  1  0.82219100  0.22593800  0.54854700  1.0
  Mg  Mg13  1  0.65886000  0.68496000  0.51211600  1.0
  Si  Si14  1  0.67278600  0.21385300  0.86398300  1.0
  Si  Si15  1  0.80779900  0.01918900  0.16637600  1.0
  Si  Si16  1  0.71413200  0.61286100  0.18949900  1.0
  Si  Si17  1  0.90932200  0.61995100  0.69566500  1.0
  Si  Si18  1  0.70729300  0.59829000  0.84331400  1.0
  Si  Si19  1  0.43418300  0.96796000  0.40222400  1.0
  Si  Si20  1  0.26817300  0.33186200  0.44878100  1.0
  Si  Si21  1  0.77565000  0.00421000  0.70212500  1.0

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