Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074832 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074832

Elements

Sites

Density

2.0691

g/cm³

Volume

453.39

Å³

Cell a

3.6424

Cell b

8.3114

Cell c

15.0317

α Angle

94.90

β Angle

90.20

γ Angle

90.11

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
5.90	14.9765	2.9	(0,0,1)
10.68	8.2810	6.9	(0,1,0)
11.76	7.5245	48.1	(0,1,-1)
11.82	7.4883	84.5	(0,0,2)
12.65	6.9980	18.5	(0,1,1)
15.26	5.8066	7.7	(0,1,-2)
17.77	4.9922	1.8	(0,0,3)
19.97	4.4468	3.0	(0,1,-3)
21.46	4.1405	8.1	(0,2,0)
21.56	4.1224	1.4	(0,1,3)
23.65	3.7622	8.8	(0,2,-2)
23.76	3.7441	1.3	(0,0,4)
24.44	3.6424	5.9	(1,0,0)
25.14	3.5422	2.4	(1,0,-1)
25.18	3.5362	2.3	(1,0,1)
25.46	3.4990	1.1	(0,2,2)
26.72	3.3368	9.1	(1,-1,0)
26.76	3.3315	8.7	(1,1,0)
26.77	3.3299	2.7	(0,2,-3)
26.96	3.3071	2.8	(0,1,4)
27.19	3.2802	1.7	(1,0,-2)
27.20	3.2786	2.6	(1,-1,1)
27.20	3.2783	2.3	(1,1,-1)
27.27	3.2707	1.5	(1,0,2)

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Energy Properties

Formation Energy/atom

0.12309

eV/atom

Energy/atom

-2.88732

eV/atom

Energy above Hull

0.2268

eV/atom

Uncorrected Energy

-2.9131

eV/atom

Volume/atom

20.61

Å³

c/a Ratio

4.1269

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

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

0.744

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjecq aaadzsjr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074832

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074832, 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   3.64239300
_cell_length_b   8.31142916
_cell_length_c   15.03166434
_cell_angle_alpha   94.90417742
_cell_angle_beta   90.20309395
_cell_angle_gamma   90.10575498
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   453.39110988
_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  0.33850200  0.11777700  0.12676700  1.0
  Mg  Mg1  1  0.34367200  0.48114500  0.47691800  1.0
  Mg  Mg2  1  0.84694100  0.36188400  0.62265100  1.0
  Mg  Mg3  1  0.84012400  0.59923500  0.32426800  1.0
  Mg  Mg4  1  0.33829200  0.61228900  0.14406900  1.0
  Mg  Mg5  1  0.35370300  0.25491500  0.78098200  1.0
  Mg  Mg6  1  0.84374800  0.75748800  0.59517300  1.0
  Mg  Mg7  1  0.84334900  0.17050400  0.42912500  1.0
  Mg  Mg8  1  0.83803400  0.33497000  0.99167900  1.0
  Mg  Mg9  1  0.83752200  0.84824500  0.03853000  1.0
  Mg  Mg10  1  0.34174600  0.61179400  0.93240200  1.0
  Mg  Mg11  1  0.33170300  0.03796200  0.92439600  1.0
  Mg  Mg12  1  0.34138200  0.83675300  0.43488000  1.0
  Mg  Mg13  1  0.34546200  0.07278800  0.59497000  1.0
  Si  Si14  1  0.82813700  0.82004900  0.83768200  1.0
  Si  Si15  1  0.84048400  0.88394200  0.22328900  1.0
  Si  Si16  1  0.34023800  0.32359600  0.28874300  1.0
  Si  Si17  1  0.34944700  0.58226300  0.70166900  1.0
  Si  Si18  1  0.84986400  0.51472700  0.80069900  1.0
  Si  Si19  1  0.83910800  0.36514400  0.18554800  1.0
  Si  Si20  1  0.34201000  0.02174800  0.29720600  1.0
  Si  Si21  1  0.32649300  0.89437900  0.74474500  1.0

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