Mg4Si7

Traditional Materials TRA

MP-ID: mp-1074218 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg4Si7

MP-ID

mp-1074218

Elements

Sites

Density

2.4962

g/cm³

Volume

390.91

Å³

Cell a

3.9561

Cell b

6.8852

Cell c

14.4718

α Angle

93.48

β Angle

96.49

γ Angle

90.31

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
6.16	14.3516	15.3	(0,0,1)
12.33	7.1758	7.2	(0,0,2)
12.88	6.8720	2.6	(0,1,0)
13.94	6.3525	3.6	(0,1,-1)
14.63	6.0544	9.4	(0,1,1)
18.42	4.8171	3.7	(0,1,2)
18.55	4.7839	1.1	(0,0,3)
21.97	4.0449	2.8	(0,1,-3)
22.62	3.9305	2.6	(1,0,0)
22.77	3.9056	13.7	(1,0,-1)
23.30	3.8174	4.0	(0,1,3)
24.15	3.6857	9.6	(1,0,1)
24.56	3.6252	3.7	(1,0,-2)
24.82	3.5879	1.6	(0,0,4)
25.93	3.4360	4.9	(0,2,0)
26.19	3.4022	1.8	(1,1,-1)
27.05	3.2959	4.5	(0,2,1)
27.08	3.2931	3.6	(1,0,2)
27.32	3.2641	3.1	(0,1,-4)
27.59	3.2328	2.5	(1,1,-2)
27.69	3.2218	2.6	(1,0,-3)
28.06	3.1805	2.1	(1,-1,-2)
28.09	3.1762	1.5	(0,2,-2)
28.77	3.1030	2.0	(0,1,4)

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Energy Properties

Formation Energy/atom

0.19526

eV/atom

Energy/atom

-3.85011

eV/atom

Energy above Hull

0.2545

eV/atom

Uncorrected Energy

-3.8953

eV/atom

Volume/atom

17.77

Å³

c/a Ratio

3.6581

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

Si · 0.636

Element Family

N/A

Solute Fraction

0.364

Interstitial Fraction

0.636

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.516

Family

Binary Alloy

Matrix Element

Si · 0.636

Related Tasks

Related computation task IDs (2)

aaacjden aaaearnp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074218

Reference Citation

The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074218, 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_Mg4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95613800
_cell_length_b   6.88516827
_cell_length_c   14.47181661
_cell_angle_alpha   93.47640111
_cell_angle_beta   96.49420164
_cell_angle_gamma   90.30767687
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Si7
_chemical_formula_sum   'Mg8 Si14'
_cell_volume   390.91327065
_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  0.90570600  0.98039300  0.94539700  1.0
  Mg  Mg1  1  0.69667200  0.64383700  0.50309000  1.0
  Mg  Mg2  1  0.11086700  0.79275700  0.34100700  1.0
  Mg  Mg3  1  0.26310900  0.48180100  0.65315600  1.0
  Mg  Mg4  1  0.82619500  0.49652000  0.82710600  1.0
  Mg  Mg5  1  0.03952500  0.39374500  0.18801500  1.0
  Mg  Mg6  1  0.15638600  0.30564400  0.41559000  1.0
  Mg  Mg7  1  0.22700200  0.96866500  0.57796700  1.0
  Si  Si8  1  0.38896000  0.66361500  0.95618400  1.0
  Si  Si9  1  0.48052500  0.17875100  0.06931600  1.0
  Si  Si10  1  0.04305500  0.37224300  0.99312800  1.0
  Si  Si11  1  0.92059100  0.69292200  0.07341700  1.0
  Si  Si12  1  0.71992900  0.26792900  0.55420800  1.0
  Si  Si13  1  0.65990600  0.00640900  0.43482100  1.0
  Si  Si14  1  0.52412500  0.71128300  0.19464200  1.0
  Si  Si15  1  0.32117000  0.18508600  0.81042700  1.0
  Si  Si16  1  0.79082800  0.78074100  0.69561000  1.0
  Si  Si17  1  0.09972000  0.00228300  0.16454000  1.0
  Si  Si18  1  0.60744200  0.49112600  0.31848700  1.0
  Si  Si19  1  0.32865500  0.81421400  0.80602700  1.0
  Si  Si20  1  0.78529900  0.14321800  0.70643600  1.0
  Si  Si21  1  0.61168100  0.12316000  0.27502800  1.0

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