Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074925 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074925

Elements

Sites

Density

2.1673

g/cm³

Volume

432.86

Å³

Cell a

5.5560

Cell b

5.8959

Cell c

13.6007

α Angle

94.44

β Angle

96.61

γ Angle

100.55

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
6.58	13.4413	2.8	(0,0,1)
13.17	6.7206	2.2	(0,0,2)
15.37	5.7668	2.7	(0,1,0)
16.10	5.5047	6.9	(0,1,-1)
16.37	5.4144	6.9	(1,0,0)
16.83	5.2690	2.2	(1,0,-1)
17.33	5.1159	2.1	(0,1,1)
18.46	4.8072	6.2	(1,0,1)
19.65	4.5176	6.3	(1,0,-2)
19.82	4.4804	2.7	(0,0,3)
21.29	4.1733	2.7	(0,1,2)
22.40	3.9682	5.6	(1,0,2)
23.85	3.7304	1.6	(1,-1,-2)
24.05	3.7000	9.4	(1,0,-3)
24.52	3.6297	2.2	(1,1,-1)
26.39	3.3769	3.6	(0,1,3)
29.37	3.0406	6.0	(1,0,-4)
29.38	3.0398	2.1	(0,1,-4)
31.02	2.8834	6.2	(0,2,0)
32.15	2.7838	23.1	(0,1,4)
32.22	2.7782	4.3	(1,-2,0)
32.41	2.7627	9.5	(0,2,1)
32.88	2.7244	3.6	(2,0,-1)
33.06	2.7093	1.0	(1,-1,-4)

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Energy Properties

Formation Energy/atom

0.11842

eV/atom

Energy/atom

-2.89199

eV/atom

Energy above Hull

0.2221

eV/atom

Uncorrected Energy

-2.9178

eV/atom

Volume/atom

19.68

Å³

c/a Ratio

2.4480

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0021

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

0.747

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjefx aaadzhpv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074925

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074925, 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   5.55595500
_cell_length_b   5.89591837
_cell_length_c   13.60069292
_cell_angle_alpha   94.44220467
_cell_angle_beta   96.61324048
_cell_angle_gamma   100.54547888
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   432.86462207
_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  0.29704200  0.93439700  0.19430800  1.0
  Mg  Mg1  1  0.15636300  0.48386300  0.27884200  1.0
  Mg  Mg2  1  0.90432900  0.93455700  0.35416800  1.0
  Mg  Mg3  1  0.64672600  0.36891300  0.32760000  1.0
  Mg  Mg4  1  0.97615200  0.49775100  0.03994600  1.0
  Mg  Mg5  1  0.14485700  0.79810000  0.54947500  1.0
  Mg  Mg6  1  0.21917600  0.39597900  0.86343400  1.0
  Mg  Mg7  1  0.39258600  0.30205700  0.66700700  1.0
  Mg  Mg8  1  0.45432700  0.32505500  0.07634400  1.0
  Mg  Mg9  1  0.51476700  0.82821900  0.99971800  1.0
  Mg  Mg10  1  0.02405300  0.98402800  0.96504900  1.0
  Mg  Mg11  1  0.34332900  0.85564400  0.76803700  1.0
  Mg  Mg12  1  0.80412400  0.20042500  0.53023900  1.0
  Mg  Mg13  1  0.62255100  0.68273600  0.54783800  1.0
  Si  Si14  1  0.66919400  0.21132900  0.87732500  1.0
  Si  Si15  1  0.82096300  0.10755600  0.16359800  1.0
  Si  Si16  1  0.75896300  0.69002400  0.18033900  1.0
  Si  Si17  1  0.93828700  0.50275700  0.69599300  1.0
  Si  Si18  1  0.72524900  0.60961500  0.83687200  1.0
  Si  Si19  1  0.41473500  0.92640000  0.40109600  1.0
  Si  Si20  1  0.28045700  0.29256800  0.45669600  1.0
  Si  Si21  1  0.88810900  0.06058000  0.72234800  1.0

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