Mg4Si7

Traditional Materials TRA

MP-ID: mp-1100446 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg4Si7

MP-ID

mp-1100446

Elements

Sites

Density

2.4850

g/cm³

Volume

392.67

Å³

Cell a

4.2948

Cell b

6.7917

Cell c

13.5010

α Angle

92.93

β Angle

92.04

γ Angle

92.41

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
6.56	13.4736	16.8	(0,0,1)
13.07	6.7763	11.3	(0,1,0)
13.14	6.7368	5.1	(0,0,2)
14.32	6.1861	1.6	(0,1,-1)
18.07	4.9087	5.0	(0,1,-2)
21.51	4.1315	11.2	(1,0,-1)
21.99	4.0420	11.3	(1,0,1)
23.18	3.8380	2.4	(0,1,-3)
24.07	3.6977	2.0	(1,-1,0)
24.35	3.6559	4.4	(0,1,3)
25.00	3.5623	1.1	(1,-1,1)
25.04	3.5568	1.5	(1,0,2)
26.30	3.3881	1.5	(0,2,0)
26.46	3.3684	3.5	(0,0,4)
27.48	3.2456	1.6	(0,2,1)
27.56	3.2362	2.1	(1,-1,2)
28.87	3.0931	6.0	(0,2,-2)
29.34	3.0443	5.6	(1,0,3)
30.14	2.9648	3.9	(0,2,2)
30.25	2.9548	6.8	(0,1,4)
31.27	2.8602	1.8	(1,-1,-3)
31.40	2.8492	13.1	(1,-1,3)
32.25	2.7761	2.3	(0,2,-3)
33.06	2.7099	4.4	(1,1,3)

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Energy Properties

Formation Energy/atom

0.18277

eV/atom

Energy/atom

-3.86260

eV/atom

Energy above Hull

0.2420

eV/atom

Uncorrected Energy

-3.9078

eV/atom

Volume/atom

17.85

Å³

c/a Ratio

3.1435

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0058

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

0.524

Family

Binary Alloy

Matrix Element

Si · 0.636

Related Tasks

Related computation task IDs (1)

aaacyrpk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1100446

Reference Citation

The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1100446, 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   4.29484400
_cell_length_b   6.79172058
_cell_length_c   13.50100506
_cell_angle_alpha   92.93167908
_cell_angle_beta   92.04423418
_cell_angle_gamma   92.41347814
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Si7
_chemical_formula_sum   'Mg8 Si14'
_cell_volume   392.66922141
_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  0.24066500  0.11415900  0.93355300  1.0
  Mg  Mg1  1  0.22027600  0.35246900  0.50505300  1.0
  Mg  Mg2  1  0.68907900  0.19385000  0.35804000  1.0
  Mg  Mg3  1  0.75399600  0.56103300  0.65688000  1.0
  Mg  Mg4  1  0.30726400  0.56999100  0.84607500  1.0
  Mg  Mg5  1  0.67345400  0.53144300  0.16832300  1.0
  Mg  Mg6  1  0.70665800  0.66318600  0.41172700  1.0
  Mg  Mg7  1  0.72321100  0.04582100  0.58216400  1.0
  Si  Si8  1  0.82250500  0.42513200  0.95731000  1.0
  Si  Si9  1  0.70149300  0.84573200  0.99348700  1.0
  Si  Si10  1  0.18197300  0.69045700  0.04181300  1.0
  Si  Si11  1  0.74162100  0.16952900  0.07715600  1.0
  Si  Si12  1  0.24586600  0.73914800  0.55910600  1.0
  Si  Si13  1  0.19104900  0.96333400  0.42981600  1.0
  Si  Si14  1  0.24309700  0.17436000  0.17809400  1.0
  Si  Si15  1  0.73647400  0.88890200  0.81076900  1.0
  Si  Si16  1  0.24071700  0.26289000  0.69942600  1.0
  Si  Si17  1  0.20345600  0.79290100  0.26450700  1.0
  Si  Si18  1  0.18963200  0.43922000  0.30446300  1.0
  Si  Si19  1  0.74876800  0.24962000  0.79627500  1.0
  Si  Si20  1  0.23076900  0.90618100  0.72028700  1.0
  Si  Si21  1  0.70075600  0.92424300  0.20920200  1.0

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