Mg4Si7

Traditional Materials TRA

MP-ID: mp-1074123 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Mg4Si7

MP-ID

mp-1074123

Elements

Sites

Density

2.4882

g/cm³

Volume

392.17

Å³

Cell a

3.9152

Cell b

7.1683

Cell c

14.1714

α Angle

80.85

β Angle

89.37

γ Angle

87.12

Space Group

P-1

Point Group

-1

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
6.32	13.9910	19.0	(0,0,1)
12.52	7.0685	1.3	(0,1,0)
13.11	6.7553	34.3	(0,1,1)
19.03	4.6637	3.6	(0,0,3)
19.21	4.6192	1.2	(0,1,-2)
23.61	3.7689	9.0	(1,0,1)
23.64	3.7630	17.0	(1,0,-1)
24.48	3.6365	11.2	(0,1,-3)
24.99	3.5636	2.4	(0,2,1)
25.47	3.4977	8.2	(0,0,4)
25.49	3.4950	4.0	(1,1,0)
26.07	3.4176	1.2	(1,0,2)
26.39	3.3776	16.8	(0,2,2)
26.58	3.3536	1.0	(0,1,4)
26.59	3.3526	1.4	(1,-1,0)
26.89	3.3154	1.4	(1,-1,-1)
28.68	3.1129	3.3	(1,-1,-2)
29.18	3.0603	1.1	(0,2,3)
29.48	3.0298	1.6	(1,1,-2)
29.77	3.0008	2.3	(1,0,3)
30.08	2.9705	2.6	(0,2,-2)
30.25	2.9541	1.7	(0,1,-4)
30.39	2.9412	4.8	(1,-1,2)
31.98	2.7982	2.1	(0,0,5)

Get direct link

Energy Properties

Formation Energy/atom

0.18273

eV/atom

Energy/atom

-3.86264

eV/atom

Energy above Hull

0.2420

eV/atom

Uncorrected Energy

-3.9078

eV/atom

Volume/atom

17.83

Å³

c/a Ratio

3.6196

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

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

0.524

Family

Binary Alloy

Matrix Element

Si · 0.636

Related Tasks

Related computation task IDs (2)

aaacjdaf aaaearmt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074123

Reference Citation

The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074123, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Mg4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91522200
_cell_length_b   7.16829325
_cell_length_c   14.17138577
_cell_angle_alpha   80.84907220
_cell_angle_beta   89.37420659
_cell_angle_gamma   87.12344136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Si7
_chemical_formula_sum   'Mg8 Si14'
_cell_volume   392.16801038
_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  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg1  1  0.50000000  0.50000000  0.50000000  1.0
  Mg  Mg2  1  0.99618700  0.26256700  0.65995400  1.0
  Mg  Mg3  1  0.00381300  0.73743300  0.34004600  1.0
  Mg  Mg4  1  0.53083200  0.79915500  0.15435700  1.0
  Mg  Mg5  1  0.46916800  0.20084500  0.84564300  1.0
  Mg  Mg6  1  0.00619000  0.78737400  0.57880000  1.0
  Mg  Mg7  1  0.99381000  0.21262600  0.42120000  1.0
  Si  Si8  1  0.44318200  0.25305400  0.04981800  1.0
  Si  Si9  1  0.55681800  0.74694600  0.95018200  1.0
  Si  Si10  1  0.91644600  0.38645900  0.95308400  1.0
  Si  Si11  1  0.08355400  0.61354100  0.04691600  1.0
  Si  Si12  1  0.49939800  0.89125500  0.44313200  1.0
  Si  Si13  1  0.50060200  0.10874500  0.55686800  1.0
  Si  Si14  1  0.01274500  0.90300000  0.81516400  1.0
  Si  Si15  1  0.98725500  0.09700000  0.18483600  1.0
  Si  Si16  1  0.49371300  0.45057200  0.30518900  1.0
  Si  Si17  1  0.50628700  0.54942800  0.69481100  1.0
  Si  Si18  1  0.99446300  0.56305500  0.79747000  1.0
  Si  Si19  1  0.00553700  0.43694500  0.20253000  1.0
  Si  Si20  1  0.48455300  0.08770200  0.29056800  1.0
  Si  Si21  1  0.51544700  0.91229800  0.70943200  1.0

Get direct link