Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074798 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074798

Elements

Sites

Density

2.1570

g/cm³

Volume

434.92

Å³

Cell a

5.1565

Cell b

5.9833

Cell c

14.2647

α Angle

92.75

β Angle

94.93

γ Angle

96.50

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
6.23	14.1877	3.0	(0,0,1)
12.48	7.0938	29.7	(0,0,2)
14.93	5.9347	1.2	(0,1,0)
17.38	5.1016	18.1	(1,0,0)
18.76	4.7292	2.3	(0,0,3)
18.93	4.6884	6.3	(0,1,-2)
19.02	4.6658	6.0	(1,0,1)
20.06	4.4266	1.6	(0,1,2)
21.59	4.1160	3.1	(1,-1,0)
22.28	3.9894	1.3	(1,-1,-1)
22.38	3.9720	3.0	(1,0,2)
22.70	3.9177	1.1	(1,-1,1)
23.36	3.8084	1.3	(0,1,-3)
24.31	3.6612	2.0	(1,1,0)
24.64	3.6137	4.5	(1,-1,-2)
25.11	3.5469	1.6	(0,0,4)
25.38	3.5089	2.7	(1,-1,2)
25.74	3.4606	3.0	(1,1,1)
26.23	3.3979	2.0	(1,1,-2)
28.26	3.1582	2.4	(1,-1,-3)
28.56	3.1260	3.7	(1,1,2)
28.56	3.1259	3.2	(0,1,-4)
29.29	3.0497	6.3	(1,1,-3)
29.31	3.0468	3.9	(1,0,-4)

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Energy Properties

Formation Energy/atom

0.12002

eV/atom

Energy/atom

-2.89039

eV/atom

Energy above Hull

0.2237

eV/atom

Uncorrected Energy

-2.9162

eV/atom

Volume/atom

19.77

Å³

c/a Ratio

2.7663

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

Mg · 0.636

Element Family

N/A

Solute Fraction

0.364

Interstitial Fraction

0.364

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.746

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjebl aaadzjdw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074798

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074798, 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_Mg7Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15654300
_cell_length_b   5.98325066
_cell_length_c   14.26470366
_cell_angle_alpha   92.75068161
_cell_angle_beta   94.93359366
_cell_angle_gamma   96.50012334
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   434.91664829
_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  0.63173900  0.09352600  0.09073000  1.0
  Mg  Mg1  1  0.29214500  0.45612800  0.36050800  1.0
  Mg  Mg2  1  0.77113300  0.42821200  0.49449100  1.0
  Mg  Mg3  1  0.72074700  0.12551700  0.30006700  1.0
  Mg  Mg4  1  0.52075900  0.60622400  0.15794900  1.0
  Mg  Mg5  1  0.79131300  0.71498900  0.69301600  1.0
  Mg  Mg6  1  0.82258600  0.21740400  0.69416900  1.0
  Mg  Mg7  1  0.73994600  0.92130100  0.48584200  1.0
  Mg  Mg8  1  0.13849900  0.27095700  0.00741000  1.0
  Mg  Mg9  1  0.03630300  0.75985100  0.04755300  1.0
  Mg  Mg10  1  0.58542400  0.23423900  0.88487000  1.0
  Mg  Mg11  1  0.51366800  0.73613200  0.90616600  1.0
  Mg  Mg12  1  0.26483900  0.69892000  0.56736200  1.0
  Mg  Mg13  1  0.26184700  0.19801400  0.54895400  1.0
  Si  Si14  1  0.03225400  0.94593100  0.85886000  1.0
  Si  Si15  1  0.01058900  0.43605500  0.18457800  1.0
  Si  Si16  1  0.82799400  0.63010800  0.32325100  1.0
  Si  Si17  1  0.32613800  0.44792300  0.73334300  1.0
  Si  Si18  1  0.00808000  0.53286200  0.85812600  1.0
  Si  Si19  1  0.20059300  0.06982200  0.20121700  1.0
  Si  Si20  1  0.19074600  0.95296600  0.37300100  1.0
  Si  Si21  1  0.30906700  0.01921100  0.72485900  1.0

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