Mg4Si7

Traditional Materials TRA

MP-ID: mp-1074122 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg4Si7

MP-ID

mp-1074122

Elements

Sites

Density

2.3405

g/cm³

Volume

416.92

Å³

Cell a

4.0610

Cell b

8.1407

Cell c

12.7582

α Angle

83.14

β Angle

85.03

γ Angle

87.41

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
7.00	12.6242	19.0	(0,0,1)
10.95	8.0774	1.1	(0,1,0)
12.30	7.1935	20.6	(0,1,1)
13.68	6.4714	1.6	(0,1,-1)
14.03	6.3121	2.9	(0,0,2)
16.79	5.2798	3.5	(0,1,2)
21.11	4.2081	5.9	(0,0,3)
21.98	4.0432	5.5	(1,0,0)
22.01	4.0387	12.9	(0,2,0)
22.32	3.9832	3.0	(0,2,1)
22.66	3.9233	2.9	(0,1,3)
23.65	3.7620	12.8	(1,0,-1)
23.90	3.7233	17.6	(0,2,-1)
24.27	3.6675	2.9	(1,1,0)
24.40	3.6483	36.0	(1,1,1)
24.75	3.5968	6.1	(0,2,2)
24.97	3.5662	38.0	(0,1,-3)
24.97	3.5657	55.6	(1,-1,0)
25.16	3.5390	16.1	(1,0,2)
25.82	3.4505	2.6	(1,-1,1)
26.11	3.4127	9.6	(1,-1,-1)
26.15	3.4078	4.9	(1,1,-1)
26.51	3.3621	2.2	(1,1,2)
27.57	3.2357	5.1	(0,2,-2)

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Energy Properties

Formation Energy/atom

0.18523

eV/atom

Energy/atom

-3.86014

eV/atom

Energy above Hull

0.2445

eV/atom

Uncorrected Energy

-3.9053

eV/atom

Volume/atom

18.95

Å³

c/a Ratio

3.1416

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0011

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

0.522

Family

Binary Alloy

Matrix Element

Si · 0.636

Related Tasks

Related computation task IDs (2)

aaacjdab aaadzsdo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074122

Reference Citation

The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074122, 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   4.06099200
_cell_length_b   8.14068965
_cell_length_c   12.75816364
_cell_angle_alpha   83.14022166
_cell_angle_beta   85.02532234
_cell_angle_gamma   87.41285089
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Si7
_chemical_formula_sum   'Mg8 Si14'
_cell_volume   416.92091809
_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  0.13750900  0.13137800  0.08390300  1.0
  Mg  Mg1  1  0.49248400  0.39081900  0.53919400  1.0
  Mg  Mg2  1  0.94137700  0.16303100  0.68895800  1.0
  Mg  Mg3  1  0.02645400  0.64221300  0.38657000  1.0
  Mg  Mg4  1  0.07502400  0.50039300  0.17424200  1.0
  Mg  Mg5  1  0.43167800  0.41229300  0.78325700  1.0
  Mg  Mg6  1  0.96656600  0.82706800  0.56895300  1.0
  Mg  Mg7  1  0.05768500  0.17628100  0.38479000  1.0
  Si  Si8  1  0.62503400  0.38173800  0.01095700  1.0
  Si  Si9  1  0.40503100  0.74701200  0.01511700  1.0
  Si  Si10  1  0.09967200  0.54446200  0.94902900  1.0
  Si  Si11  1  0.74902500  0.15480200  0.90423000  1.0
  Si  Si12  1  0.49583300  0.87764200  0.42472800  1.0
  Si  Si13  1  0.47391400  0.05360400  0.56994000  1.0
  Si  Si14  1  0.27523800  0.98804300  0.89503000  1.0
  Si  Si15  1  0.20233500  0.82513800  0.18633900  1.0
  Si  Si16  1  0.56042300  0.43232100  0.33112200  1.0
  Si  Si17  1  0.88074500  0.68559600  0.78029900  1.0
  Si  Si18  1  0.96159400  0.50118300  0.64201100  1.0
  Si  Si19  1  0.59002500  0.25403200  0.20204300  1.0
  Si  Si20  1  0.67291300  0.95654100  0.24008100  1.0
  Si  Si21  1  0.38668800  0.85800000  0.73562200  1.0

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