Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074887 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074887

Elements

Sites

Density

2.1442

g/cm³

Volume

437.51

Å³

Cell a

6.0453

Cell b

5.1443

Cell c

14.6014

α Angle

94.56

β Angle

102.05

γ Angle

80.50

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
6.20	14.2642	1.6	(0,0,1)
12.41	7.1321	14.3	(0,0,2)
15.16	5.8432	1.0	(1,0,0)
15.20	5.8291	7.2	(1,0,-1)
17.50	5.0682	3.5	(0,1,0)
17.51	5.0652	1.7	(1,0,1)
18.30	4.8478	2.0	(0,1,-1)
18.85	4.7067	1.7	(0,1,1)
21.02	4.2257	2.1	(0,1,-2)
21.49	4.1347	3.5	(1,0,2)
21.99	4.0430	2.2	(0,1,2)
22.75	3.9085	2.0	(1,1,-2)
23.35	3.8092	4.1	(1,1,1)
25.18	3.5369	1.4	(1,-1,-1)
26.42	3.3741	2.1	(1,0,3)
28.95	3.0843	3.0	(1,-1,2)
29.94	2.9840	6.7	(1,1,-4)
30.60	2.9216	1.1	(2,0,0)
30.68	2.9146	3.0	(2,0,-2)
31.03	2.8823	1.3	(1,1,3)
31.34	2.8543	4.4	(0,1,4)
31.36	2.8528	13.9	(0,0,5)
31.89	2.8059	1.3	(1,0,4)
32.06	2.7919	1.4	(1,0,-5)

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Energy Properties

Formation Energy/atom

0.16275

eV/atom

Energy/atom

-2.84766

eV/atom

Energy above Hull

0.2664

eV/atom

Uncorrected Energy

-2.8735

eV/atom

Volume/atom

19.89

Å³

c/a Ratio

2.4153

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

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

0.718

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjedz aaadzjqw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074887

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074887, 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   6.04525524
_cell_length_b   5.14427357
_cell_length_c   14.60137564
_cell_angle_alpha   94.56387196
_cell_angle_beta   102.04604202
_cell_angle_gamma   80.49993434
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   437.51140062
_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  0.21966900  0.50795400  0.89113200  1.0
  Mg  Mg1  1  0.69465800  0.17277500  0.64808800  1.0
  Mg  Mg2  1  0.96536000  0.74246800  0.51102400  1.0
  Mg  Mg3  1  0.93158300  0.62409300  0.70510400  1.0
  Mg  Mg4  1  0.72060200  0.43632200  0.88029300  1.0
  Mg  Mg5  1  0.05691900  0.73359400  0.30202600  1.0
  Mg  Mg6  1  0.56039200  0.77444300  0.32330100  1.0
  Mg  Mg7  1  0.46927400  0.72163400  0.54211700  1.0
  Mg  Mg8  1  0.45518200  0.97288000  0.95509800  1.0
  Mg  Mg9  1  0.96337000  0.96625900  0.99167600  1.0
  Mg  Mg10  1  0.60042600  0.44827500  0.08391900  1.0
  Mg  Mg11  1  0.10693500  0.48318300  0.10477100  1.0
  Mg  Mg12  1  0.23086200  0.23063800  0.42266700  1.0
  Mg  Mg13  1  0.73138600  0.26567800  0.44322500  1.0
  Si  Si14  1  0.75824900  0.92715700  0.13823100  1.0
  Si  Si15  1  0.03334900  0.04896700  0.81706400  1.0
  Si  Si16  1  0.43074700  0.60694300  0.72372800  1.0
  Si  Si17  1  0.40119100  0.29388700  0.26783200  1.0
  Si  Si18  1  0.34783600  0.93677400  0.13793800  1.0
  Si  Si19  1  0.37007100  0.09897700  0.75314100  1.0
  Si  Si20  1  0.13070900  0.22406800  0.59476900  1.0
  Si  Si21  1  0.82122800  0.28304200  0.26649700  1.0

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