Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074858 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074858

Elements

Sites

Density

2.1544

g/cm³

Volume

435.44

Å³

Cell a

5.3689

Cell b

5.9518

Cell c

13.9504

α Angle

101.82

β Angle

92.98

γ Angle

91.44

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
6.48	13.6312	10.5	(0,0,1)
12.99	6.8156	13.0	(0,0,2)
15.27	5.8042	1.3	(0,1,-1)
16.54	5.3581	9.6	(1,0,0)
17.43	5.0888	6.2	(1,0,-1)
18.14	4.8904	7.3	(1,0,1)
22.03	4.0343	1.7	(0,1,2)
22.13	4.0164	1.4	(1,-1,0)
22.45	3.9600	2.1	(1,-1,1)
22.72	3.9144	1.0	(1,1,-1)
22.97	3.8724	1.4	(1,1,0)
23.70	3.7535	1.6	(1,-1,-1)
24.31	3.6611	1.4	(1,1,-2)
24.59	3.6201	1.7	(1,-1,2)
24.94	3.5698	5.9	(1,0,-3)
26.45	3.3697	2.8	(1,0,3)
27.28	3.2693	4.5	(0,1,3)
27.45	3.2494	2.0	(1,1,-3)
27.46	3.2479	1.2	(0,1,-4)
28.48	3.1339	2.9	(1,1,2)
30.04	2.9749	2.4	(0,2,-1)
30.25	2.9547	5.2	(1,0,-4)
30.81	2.9021	1.0	(0,2,-2)
31.14	2.8719	5.4	(1,-1,-3)

Get direct link

Energy Properties

Formation Energy/atom

0.12152

eV/atom

Energy/atom

-2.88889

eV/atom

Energy above Hull

0.2252

eV/atom

Uncorrected Energy

-2.9147

eV/atom

Volume/atom

19.79

Å³

c/a Ratio

2.5984

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0036

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

0.745

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjecv aaadzppc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074858

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074858, 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   5.36890900
_cell_length_b   5.95176332
_cell_length_c   13.95039847
_cell_angle_alpha   101.82186590
_cell_angle_beta   92.97966496
_cell_angle_gamma   91.43988078
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   435.44053474
_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  0.35816900  0.86141200  0.86819400  1.0
  Mg  Mg1  1  0.94674700  0.14812200  0.77767900  1.0
  Mg  Mg2  1  0.49382500  0.99114500  0.47841600  1.0
  Mg  Mg3  1  0.20006100  0.53207700  0.66714700  1.0
  Mg  Mg4  1  0.48184300  0.37479500  0.87282900  1.0
  Mg  Mg5  1  0.26491800  0.64006200  0.28288700  1.0
  Mg  Mg6  1  0.36195200  0.14135100  0.28551700  1.0
  Mg  Mg7  1  0.48131000  0.49370000  0.47350600  1.0
  Mg  Mg8  1  0.00759100  0.52213400  0.99647000  1.0
  Mg  Mg9  1  0.86277800  0.01264500  0.97635200  1.0
  Mg  Mg10  1  0.51731700  0.74157300  0.09759300  1.0
  Mg  Mg11  1  0.41249300  0.23280300  0.07483500  1.0
  Mg  Mg12  1  0.00315400  0.75686600  0.49199900  1.0
  Mg  Mg13  1  0.98103400  0.23783600  0.45298200  1.0
  Si  Si14  1  0.94606900  0.29892200  0.15769700  1.0
  Si  Si15  1  0.86143900  0.66503600  0.81365100  1.0
  Si  Si16  1  0.38262400  0.05194000  0.67981300  1.0
  Si  Si17  1  0.76556000  0.86606700  0.30287900  1.0
  Si  Si18  1  0.00946300  0.89050200  0.15703300  1.0
  Si  Si19  1  0.70592400  0.75548200  0.65421300  1.0
  Si  Si20  1  0.69887900  0.32797700  0.63178400  1.0
  Si  Si21  1  0.75687800  0.46498200  0.31021500  1.0

Get direct link