Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074855 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074855

Elements

Sites

Density

2.1841

g/cm³

Volume

429.52

Å³

Cell a

5.2108

Cell b

5.9257

Cell c

14.0345

α Angle

85.22

β Angle

85.76

γ Angle

85.49

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
12.69	6.9768	4.0	(0,0,2)
15.04	5.8894	1.4	(0,1,0)
16.79	5.2804	1.8	(0,1,-1)
17.11	5.1828	6.7	(1,0,0)
17.85	4.9696	6.2	(1,0,1)
19.08	4.6512	2.1	(0,0,3)
20.48	4.3368	4.2	(0,1,-2)
22.00	4.0396	2.1	(1,1,0)
22.25	3.9953	1.6	(1,1,1)
23.57	3.7746	1.3	(1,1,-1)
24.53	3.6286	4.9	(1,-1,-1)
26.95	3.3089	1.3	(1,-1,-2)
26.96	3.3072	2.8	(1,-1,2)
28.71	3.1096	1.1	(0,1,4)
29.89	2.9893	1.8	(1,0,4)
30.35	2.9447	2.1	(0,2,0)
30.53	2.9277	2.8	(0,2,1)
30.60	2.9219	1.3	(1,-1,3)
30.79	2.9038	1.3	(0,1,-4)
30.82	2.9011	2.3	(1,1,-3)
31.88	2.8072	4.1	(1,0,-4)
32.06	2.7920	4.2	(0,2,2)
32.07	2.7910	7.0	(1,1,4)
32.07	2.7907	19.4	(0,0,5)

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Energy Properties

Formation Energy/atom

0.10810

eV/atom

Energy/atom

-2.90232

eV/atom

Energy above Hull

0.2118

eV/atom

Uncorrected Energy

-2.9281

eV/atom

Volume/atom

19.52

Å³

c/a Ratio

2.6933

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0013

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

0.754

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjecs aaadzpio

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074855

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074855, 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   5.21083300
_cell_length_b   5.92571144
_cell_length_c   14.03445227
_cell_angle_alpha   85.22094966
_cell_angle_beta   85.76456986
_cell_angle_gamma   85.49009696
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   429.52147660
_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  0.02826400  0.10940400  0.71622700  1.0
  Mg  Mg1  1  0.75388700  0.50501600  0.83685800  1.0
  Mg  Mg2  1  0.57718800  0.87297100  0.63719300  1.0
  Mg  Mg3  1  0.51259900  0.38072200  0.65302600  1.0
  Mg  Mg4  1  0.69629300  0.31882500  0.07786100  1.0
  Mg  Mg5  1  0.66058600  0.67226000  0.44312100  1.0
  Mg  Mg6  1  0.45207600  0.08244200  0.30637100  1.0
  Mg  Mg7  1  0.17974900  0.43451700  0.46982100  1.0
  Mg  Mg8  1  0.24658200  0.33160000  0.93495600  1.0
  Mg  Mg9  1  0.42643600  0.78475200  0.98752500  1.0
  Mg  Mg10  1  0.91802000  0.94595600  0.92993300  1.0
  Mg  Mg11  1  0.76209300  0.80571400  0.15593200  1.0
  Mg  Mg12  1  0.91688800  0.34038500  0.28859100  1.0
  Mg  Mg13  1  0.12984600  0.93421100  0.50354900  1.0
  Si  Si14  1  0.19171400  0.07694600  0.11178900  1.0
  Si  Si15  1  0.50155700  0.04258500  0.80875700  1.0
  Si  Si16  1  0.26013600  0.68645800  0.79860700  1.0
  Si  Si17  1  0.38478900  0.55179800  0.26650000  1.0
  Si  Si18  1  0.17843100  0.49644200  0.11725000  1.0
  Si  Si19  1  0.65105200  0.18090800  0.48090800  1.0
  Si  Si20  1  0.02672300  0.60535900  0.65559400  1.0
  Si  Si21  1  0.04505300  0.83331100  0.32329900  1.0

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