Mg4Si7

Traditional Materials TRA

MP-ID: mp-1074240 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Mg4Si7

MP-ID

mp-1074240

Elements

Sites

Density

2.4707

g/cm³

Volume

394.95

Å³

Cell a

12.7938

Cell b

12.7938

Cell c

8.7446

α Angle

80.72

β Angle

80.72

γ Angle

16.24

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
7.07	12.4962	31.5	(1,1,0)
10.25	8.6277	3.7	(0,0,1)
11.47	7.7117	10.2	(1,1,1)
13.39	6.6139	4.7	(1,1,-1)
14.17	6.2481	3.2	(2,2,0)
16.10	5.5045	1.1	(2,2,1)
18.84	4.7091	4.3	(2,2,-1)
20.59	4.3139	4.4	(0,0,2)
20.66	4.2996	2.6	(1,1,2)
22.88	3.8870	6.5	(1,1,-2)
23.07	3.8558	3.7	(2,2,2)
24.89	3.5771	3.7	(1,0,0)
26.76	3.3320	1.9	(1,0,1)
26.96	3.3069	1.9	(2,2,-2)
27.21	3.2774	8.9	(1,0,-1)
27.23	3.2750	1.7	(3,3,2)
28.57	3.1241	1.6	(4,4,0)
29.48	3.0299	4.9	(2,1,-1)
30.52	2.9289	11.4	(3,2,0)
30.74	2.9081	3.8	(1,1,3)
31.10	2.8759	2.3	(0,0,3)
31.30	2.8577	4.0	(3,2,1)
32.07	2.7909	8.7	(2,2,3)
32.13	2.7857	11.3	(1,0,2)

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Energy Properties

Formation Energy/atom

0.27405

eV/atom

Energy/atom

-3.77132

eV/atom

Energy above Hull

0.3333

eV/atom

Uncorrected Energy

-3.8165

eV/atom

Volume/atom

17.95

Å³

c/a Ratio

0.6835

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0036

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

0.485

Family

Binary Alloy

Matrix Element

Si · 0.636

Related Tasks

Related computation task IDs (2)

aaacjdfl aaaeavre

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074240

Reference Citation

The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074240, 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

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Raw CIF Data

# generated using pymatgen
data_Mg4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.79378542
_cell_length_b   12.79378542
_cell_length_c   8.74459165
_cell_angle_alpha   80.71672769
_cell_angle_beta   80.71672769
_cell_angle_gamma   16.24077503
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Si7
_chemical_formula_sum   'Mg8 Si14'
_cell_volume   394.95415523
_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  0.38086200  0.38086200  0.02169000  1.0
  Mg  Mg1  1  0.15491400  0.15491400  0.70253300  1.0
  Mg  Mg2  1  0.54130800  0.54130800  0.86563800  1.0
  Mg  Mg3  1  0.72416800  0.72416800  0.40926500  1.0
  Mg  Mg4  1  0.31507400  0.31507400  0.50622800  1.0
  Mg  Mg5  1  0.00697900  0.00697900  0.36717600  1.0
  Mg  Mg6  1  0.60538100  0.60538100  0.43548500  1.0
  Mg  Mg7  1  0.69997400  0.69997400  0.00799700  1.0
  Si  Si8  1  0.85301000  0.85301000  0.78091500  1.0
  Si  Si9  1  0.41460500  0.41460500  0.30480100  1.0
  Si  Si10  1  0.96883200  0.96883200  0.09588700  1.0
  Si  Si11  1  0.90449700  0.90449700  0.51516200  1.0
  Si  Si12  1  0.17044700  0.17044700  0.24518500  1.0
  Si  Si13  1  0.11369100  0.11369100  0.03264400  1.0
  Si  Si14  1  0.46750100  0.46750100  0.62796500  1.0
  Si  Si15  1  0.82514600  0.82514600  0.23728500  1.0
  Si  Si16  1  0.28734200  0.28734200  0.86176700  1.0
  Si  Si17  1  0.95032300  0.95032300  0.83120600  1.0
  Si  Si18  1  0.04697100  0.04697100  0.63413700  1.0
  Si  Si19  1  0.74688700  0.74688700  0.70922100  1.0
  Si  Si20  1  0.26872900  0.26872900  0.15438400  1.0
  Si  Si21  1  0.55772100  0.55772100  0.14975900  1.0

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