Mg4Si7

Traditional Materials TRA

MP-ID: mp-1074148 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Mg4Si7

MP-ID

mp-1074148

Elements

Sites

Density

2.4640

g/cm³

Volume

396.03

Å³

Cell a

14.9658

Cell b

14.9658

Cell c

6.7415

α Angle

87.98

β Angle

87.98

γ Angle

15.22

Space Group

Point Group

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
5.96	14.8247	2.8	(1,1,0)
11.94	7.4123	5.1	(2,2,0)
13.14	6.7372	1.2	(0,0,1)
14.24	6.2176	6.9	(1,1,1)
14.63	6.0528	2.6	(1,1,-1)
17.47	5.0764	2.2	(2,2,1)
18.11	4.8994	3.3	(2,2,-1)
21.92	4.0542	1.2	(3,3,1)
22.64	3.9277	4.5	(1,0,0)
22.69	3.9186	5.5	(3,3,-1)
24.01	3.7062	2.4	(4,4,0)
24.20	3.6780	19.5	(2,1,0)
26.32	3.3862	1.2	(1,0,-1)
26.46	3.3686	7.0	(0,0,2)
26.93	3.3105	5.5	(1,1,2)
27.06	3.2947	10.9	(3,2,0)
27.36	3.2599	2.6	(1,1,-2)
27.79	3.2104	2.3	(2,1,-1)
27.89	3.1995	6.8	(4,4,-1)
28.72	3.1088	2.3	(2,2,2)
29.52	3.0264	1.2	(2,2,-2)
29.95	2.9832	2.5	(3,2,1)
30.14	2.9649	2.0	(5,5,0)
30.44	2.9369	10.1	(3,2,-1)

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Energy Properties

Formation Energy/atom

0.20315

eV/atom

Energy/atom

-3.84223

eV/atom

Energy above Hull

0.2624

eV/atom

Uncorrected Energy

-3.8874

eV/atom

Volume/atom

18.00

Å³

c/a Ratio

0.4505

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

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

0.511

Family

Binary Alloy

Matrix Element

Si · 0.636

Related Tasks

Related computation task IDs (2)

aaacjdba aaaeaosd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074148

Reference Citation

The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074148, 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   14.96582601
_cell_length_b   14.96582601
_cell_length_c   6.74147379
_cell_angle_alpha   87.97508589
_cell_angle_beta   87.97508589
_cell_angle_gamma   15.21541003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Si7
_chemical_formula_sum   'Mg8 Si14'
_cell_volume   396.02679092
_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  0.90366400  0.90366400  0.94132300  1.0
  Mg  Mg1  1  0.69521300  0.69521300  0.66062400  1.0
  Mg  Mg2  1  0.11828400  0.11828400  0.82600200  1.0
  Mg  Mg3  1  0.26966200  0.26966200  0.46500200  1.0
  Mg  Mg4  1  0.85801500  0.85801500  0.45978300  1.0
  Mg  Mg5  1  0.04862100  0.04862100  0.43072000  1.0
  Mg  Mg6  1  0.15342100  0.15342100  0.34628700  1.0
  Mg  Mg7  1  0.23045900  0.23045900  0.96891500  1.0
  Si  Si8  1  0.41995700  0.41995700  0.62781500  1.0
  Si  Si9  1  0.42235400  0.42235400  0.26105100  1.0
  Si  Si10  1  0.96899300  0.96899300  0.24746600  1.0
  Si  Si11  1  0.97274600  0.97274600  0.65131200  1.0
  Si  Si12  1  0.71918600  0.71918600  0.27265800  1.0
  Si  Si13  1  0.65936900  0.65936900  0.03948100  1.0
  Si  Si14  1  0.52924400  0.52924400  0.75440200  1.0
  Si  Si15  1  0.34528700  0.34528700  0.14044200  1.0
  Si  Si16  1  0.78801200  0.78801200  0.76664900  1.0
  Si  Si17  1  0.03411400  0.03411400  0.01466500  1.0
  Si  Si18  1  0.60178800  0.60178800  0.54656500  1.0
  Si  Si19  1  0.34187500  0.34187500  0.76940100  1.0
  Si  Si20  1  0.79469200  0.79469200  0.13352900  1.0
  Si  Si21  1  0.58168800  0.58168800  0.17224900  1.0

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