Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074863 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074863

Elements

Sites

Density

2.1593

g/cm³

Volume

434.46

Å³

Cell a

4.8862

Cell b

6.0414

Cell c

15.0201

α Angle

79.35

β Angle

85.99

γ Angle

87.44

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
6.00	14.7323	2.5	(0,0,1)
12.01	7.3662	29.2	(0,0,2)
14.93	5.9343	5.6	(0,1,0)
15.04	5.8891	2.9	(0,1,1)
17.10	5.1867	1.8	(0,1,-1)
17.40	5.0973	3.6	(0,1,2)
18.06	4.9108	1.2	(0,0,3)
21.22	4.1863	1.4	(1,0,2)
22.50	3.9508	1.2	(1,0,-2)
24.01	3.7070	2.0	(1,-1,0)
26.19	3.4028	2.6	(1,-1,-2)
29.47	3.0311	4.3	(1,0,4)
29.61	3.0171	3.2	(0,2,1)
31.83	2.8113	6.5	(0,2,-1)
31.96	2.8003	3.2	(1,1,-3)
32.28	2.7731	1.3	(0,2,3)
33.14	2.7035	1.2	(1,-1,-4)
34.23	2.6193	34.5	(1,2,1)
34.59	2.5933	1.4	(0,2,-2)
34.68	2.5864	1.1	(1,2,2)
34.89	2.5714	2.6	(1,2,0)
35.20	2.5493	2.5	(1,1,5)
35.47	2.5306	5.6	(1,-1,4)
35.71	2.5141	1.7	(1,-2,-1)

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Energy Properties

Formation Energy/atom

0.14907

eV/atom

Energy/atom

-2.86134

eV/atom

Energy above Hull

0.2527

eV/atom

Uncorrected Energy

-2.8872

eV/atom

Volume/atom

19.75

Å³

c/a Ratio

3.0740

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

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

0.727

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjedc aaadzqzn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074863

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074863, 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   4.88621400
_cell_length_b   6.04142572
_cell_length_c   15.02004602
_cell_angle_alpha   79.35397638
_cell_angle_beta   85.98787592
_cell_angle_gamma   87.44077548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   434.45974046
_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  0.50923800  0.95024700  0.88441200  1.0
  Mg  Mg1  1  0.15125000  0.63622900  0.64373400  1.0
  Mg  Mg2  1  0.73811700  0.51426300  0.50938400  1.0
  Mg  Mg3  1  0.62900800  0.26870200  0.69896600  1.0
  Mg  Mg4  1  0.48618200  0.46929600  0.86484800  1.0
  Mg  Mg5  1  0.75152400  0.65333100  0.30054900  1.0
  Mg  Mg6  1  0.79362500  0.14280100  0.33285800  1.0
  Mg  Mg7  1  0.71090300  0.99715600  0.54232900  1.0
  Mg  Mg8  1  0.97573400  0.63378900  0.97383500  1.0
  Mg  Mg9  1  0.96832500  0.12994500  0.97960000  1.0
  Mg  Mg10  1  0.43378000  0.29741000  0.07432100  1.0
  Mg  Mg11  1  0.47181100  0.78742800  0.10075100  1.0
  Mg  Mg12  1  0.26175600  0.30973200  0.43086200  1.0
  Mg  Mg13  1  0.24913400  0.80818200  0.43132700  1.0
  Si  Si14  1  0.90386900  0.02499800  0.16171000  1.0
  Si  Si15  1  0.09198000  0.22992100  0.79242300  1.0
  Si  Si16  1  0.61343100  0.79392700  0.71847500  1.0
  Si  Si17  1  0.31759800  0.41469600  0.24609900  1.0
  Si  Si18  1  0.89736000  0.43858100  0.15075300  1.0
  Si  Si19  1  0.05512000  0.82769900  0.79157800  1.0
  Si  Si20  1  0.16079100  0.16155500  0.62081300  1.0
  Si  Si21  1  0.32942400  0.00652000  0.25399600  1.0

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