Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074835 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074835

Elements

Sites

Density

2.0878

g/cm³

Volume

449.34

Å³

Cell a

5.4592

Cell b

6.2289

Cell c

13.6538

α Angle

103.06

β Angle

96.39

γ Angle

89.95

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
13.40	6.6070	9.0	(0,0,2)
14.60	6.0659	3.9	(0,1,0)
16.34	5.4236	10.2	(1,0,0)
16.95	5.2313	49.3	(1,0,-1)
17.42	5.0915	8.1	(0,1,1)
17.46	5.0803	2.0	(0,1,-2)
18.38	4.8278	9.0	(1,0,1)
19.96	4.4482	3.7	(1,0,-2)
20.16	4.4047	1.3	(0,0,3)
21.69	4.0970	1.1	(1,1,-1)
21.70	4.0947	1.8	(1,-1,0)
22.03	4.0348	3.0	(0,1,2)
22.08	4.0255	8.4	(0,1,-3)
22.29	3.9878	1.5	(1,-1,1)
22.36	3.9757	2.3	(1,0,2)
23.17	3.8388	1.3	(1,-1,-1)
23.18	3.8375	1.3	(1,1,-2)
24.54	3.6275	7.4	(1,0,-3)
24.75	3.5972	2.8	(1,1,1)
26.39	3.3770	4.1	(1,1,-3)
26.99	3.3035	10.5	(0,0,4)
27.50	3.2430	24.2	(1,0,3)
27.60	3.2320	4.3	(0,1,3)
27.66	3.2253	3.1	(0,1,-4)

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Energy Properties

Formation Energy/atom

0.06939

eV/atom

Energy/atom

-2.94102

eV/atom

Energy above Hull

0.1731

eV/atom

Uncorrected Energy

-2.9668

eV/atom

Volume/atom

20.42

Å³

c/a Ratio

2.5010

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0017

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

0.780

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjecm aaadzrvk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074835

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074835, 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   5.45924200
_cell_length_b   6.22887693
_cell_length_c   13.65375440
_cell_angle_alpha   103.05782459
_cell_angle_beta   96.38737263
_cell_angle_gamma   89.95494617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   449.33989828
_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  0.89209800  0.16451100  0.21883800  1.0
  Mg  Mg1  1  0.91467900  0.67541500  0.25460300  1.0
  Mg  Mg2  1  0.45774800  0.47189100  0.36925400  1.0
  Mg  Mg3  1  0.44617700  0.96706100  0.33777800  1.0
  Mg  Mg4  1  0.05372800  0.57773400  0.02963000  1.0
  Mg  Mg5  1  0.30335900  0.60180900  0.59109000  1.0
  Mg  Mg6  1  0.69569100  0.47602700  0.82111200  1.0
  Mg  Mg7  1  0.30010600  0.09498500  0.57436000  1.0
  Mg  Mg8  1  0.57001700  0.82742000  0.04634700  1.0
  Mg  Mg9  1  0.58627900  0.31520500  0.02282200  1.0
  Mg  Mg10  1  0.05813000  0.05476400  0.99046500  1.0
  Mg  Mg11  1  0.53937300  0.96471600  0.78625400  1.0
  Mg  Mg12  1  0.78354700  0.34811300  0.57615100  1.0
  Mg  Mg13  1  0.77691200  0.82240200  0.53051800  1.0
  Si  Si14  1  0.24534900  0.69177900  0.86388800  1.0
  Si  Si15  1  0.37087000  0.19006800  0.17499300  1.0
  Si  Si16  1  0.39743400  0.59014600  0.18518800  1.0
  Si  Si17  1  0.96743200  0.12397600  0.72138800  1.0
  Si  Si18  1  0.23814000  0.30548100  0.86240000  1.0
  Si  Si19  1  0.97723100  0.44961700  0.40984700  1.0
  Si  Si20  1  0.96816800  0.05542400  0.40389300  1.0
  Si  Si21  1  0.95746200  0.73517400  0.72545200  1.0

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