Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074846 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074846

Elements

Sites

Density

2.1200

g/cm³

Volume

442.51

Å³

Cell a

5.2703

Cell b

6.1022

Cell c

14.1767

α Angle

96.39

β Angle

94.41

γ Angle

101.00

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
12.63	7.0085	12.0	(0,0,2)
14.91	5.9403	4.7	(0,1,0)
15.43	5.7414	2.2	(0,1,-1)
16.94	5.2328	1.9	(0,1,1)
17.23	5.1472	2.5	(1,0,0)
17.75	4.9972	3.9	(1,0,-1)
18.29	4.8499	2.7	(0,1,-2)
18.96	4.6817	2.6	(1,0,1)
20.35	4.3634	1.3	(1,0,-2)
20.43	4.3468	1.2	(1,-1,0)
21.46	4.1410	1.4	(1,-1,-1)
22.44	3.9627	2.8	(1,0,2)
22.65	3.9263	1.5	(0,1,-3)
23.99	3.7093	2.8	(1,-1,2)
24.19	3.6789	1.2	(1,-1,-2)
24.41	3.6471	2.7	(1,0,-3)
25.07	3.5524	2.4	(1,1,0)
25.42	3.5043	1.5	(0,0,4)
26.78	3.3294	1.4	(1,1,1)
27.91	3.1973	1.4	(1,-1,3)
28.17	3.1680	2.0	(1,-1,-3)
29.27	3.0513	3.2	(1,1,-3)
29.35	3.0426	1.2	(1,0,-4)
29.94	2.9846	1.1	(0,2,-1)

Get direct link

Energy Properties

Formation Energy/atom

0.15567

eV/atom

Energy/atom

-2.85474

eV/atom

Energy above Hull

0.2593

eV/atom

Uncorrected Energy

-2.8806

eV/atom

Volume/atom

20.11

Å³

c/a Ratio

2.6899

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

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

0.723

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjecp aaadzkmg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074846

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074846, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Mg7Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27026600
_cell_length_b   6.10218830
_cell_length_c   14.17669465
_cell_angle_alpha   96.39052134
_cell_angle_beta   94.41254066
_cell_angle_gamma   100.99763342
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   442.51293704
_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  0.43373400  0.28207200  0.10106400  1.0
  Mg  Mg1  1  0.76661000  0.07083500  0.35673600  1.0
  Mg  Mg2  1  0.18537100  0.48999800  0.47784300  1.0
  Mg  Mg3  1  0.30619400  0.22534900  0.30106500  1.0
  Mg  Mg4  1  0.48745300  0.80123500  0.13637100  1.0
  Mg  Mg5  1  0.20361400  0.74831800  0.69188500  1.0
  Mg  Mg6  1  0.15770400  0.24201900  0.68169800  1.0
  Mg  Mg7  1  0.19611400  0.97858600  0.48009800  1.0
  Mg  Mg8  1  0.95609800  0.45285900  0.03407400  1.0
  Mg  Mg9  1  0.95502600  0.93160200  0.01386300  1.0
  Mg  Mg10  1  0.47367300  0.51688700  0.91436400  1.0
  Mg  Mg11  1  0.43733200  0.00560600  0.89757000  1.0
  Mg  Mg12  1  0.69682200  0.82396800  0.57126000  1.0
  Mg  Mg13  1  0.67697500  0.32123400  0.55085900  1.0
  Si  Si14  1  0.99363900  0.61603000  0.85955800  1.0
  Si  Si15  1  0.89531700  0.19513800  0.17991300  1.0
  Si  Si16  1  0.32654100  0.75463800  0.31602200  1.0
  Si  Si17  1  0.63592900  0.12098800  0.72815500  1.0
  Si  Si18  1  0.98963000  0.19866200  0.86336200  1.0
  Si  Si19  1  0.89923000  0.60132000  0.22929700  1.0
  Si  Si20  1  0.68402600  0.57933900  0.38499100  1.0
  Si  Si21  1  0.64654700  0.53966700  0.72632400  1.0

Get direct link