Mg4Si7

Traditional Materials TRA

MP-ID: mp-1074149 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Mg4Si7

MP-ID

mp-1074149

Elements

Sites

Density

2.4553

g/cm³

Volume

198.71

Å³

Cell a

8.2437

Cell b

8.2437

Cell c

6.7685

α Angle

89.63

β Angle

89.63

γ Angle

25.60

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
11.01	8.0387	5.0	(1,1,0)
17.18	5.1606	14.6	(1,1,-1)
22.12	4.0194	9.9	(2,2,0)
25.86	3.4459	3.2	(2,2,-1)
26.34	3.3842	4.7	(0,0,2)
28.30	3.1536	14.2	(1,0,1)
28.69	3.1116	7.2	(1,1,-2)
29.60	3.0180	5.5	(2,1,0)
32.44	2.7602	3.4	(2,1,1)
32.53	2.7525	98.1	(2,1,-1)
33.44	2.6796	4.4	(3,3,0)
34.53	2.5973	29.9	(2,2,2)
35.96	2.4971	6.8	(3,3,1)
36.13	2.4858	26.7	(3,3,-1)
36.60	2.4550	24.9	(1,0,2)
36.66	2.4514	100.0	(1,0,-2)
37.26	2.4134	29.0	(3,2,0)
39.58	2.2768	62.2	(3,2,1)
39.71	2.2696	15.7	(3,2,-1)
39.95	2.2566	14.2	(2,1,2)
39.96	2.2561	35.4	(0,0,3)
41.65	2.1684	11.3	(1,1,-3)
42.91	2.1076	3.6	(3,3,2)
43.20	2.0940	3.4	(3,3,-2)

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Energy Properties

Formation Energy/atom

0.18158

eV/atom

Energy/atom

-3.86379

eV/atom

Energy above Hull

0.2408

eV/atom

Uncorrected Energy

-3.9090

eV/atom

Volume/atom

18.06

Å³

c/a Ratio

0.8211

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0098

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

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

0.525

Family

Binary Alloy

Matrix Element

Si · 0.636

Related Tasks

Related computation task IDs (2)

aaacjdec aaadxobg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074149

Reference Citation

The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074149, 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   8.24367876
_cell_length_b   8.24367876
_cell_length_c   6.76847200
_cell_angle_alpha   89.62801910
_cell_angle_beta   89.62801910
_cell_angle_gamma   25.59535803
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Si7
_chemical_formula_sum   'Mg4 Si7'
_cell_volume   198.70995674
_cell_formula_units_Z   1
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  0.92050400  0.92050400  0.39927400  1.0
  Mg  Mg1  1  0.07949600  0.07949600  0.60072600  1.0
  Mg  Mg2  1  0.16480500  0.16480500  0.00729000  1.0
  Mg  Mg3  1  0.83519500  0.83519500  0.99271000  1.0
  Si  Si4  1  0.69006200  0.69006200  0.34164100  1.0
  Si  Si5  1  0.30993800  0.30993800  0.65835900  1.0
  Si  Si6  1  0.54519400  0.54519400  0.24194900  1.0
  Si  Si7  1  0.45480600  0.45480600  0.75805100  1.0
  Si  Si8  1  0.28801200  0.28801200  0.28957400  1.0
  Si  Si9  1  0.71198800  0.71198800  0.71042600  1.0
  Si  Si10  1  0.00000000  0.00000000  0.00000000  1.0

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