Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074841 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074841

Elements

Sites

Density

2.1386

g/cm³

Volume

438.67

Å³

Cell a

5.3716

Cell b

6.1319

Cell c

13.6201

α Angle

99.95

β Angle

96.80

γ Angle

90.01

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
6.64	13.3181	10.0	(0,0,1)
13.30	6.6590	20.6	(0,0,2)
14.67	6.0384	1.8	(0,1,0)
15.02	5.8990	2.4	(0,1,-1)
16.62	5.3326	13.5	(1,0,0)
17.15	5.1697	2.8	(1,0,-1)
18.03	4.9192	2.3	(0,1,-2)
18.65	4.7570	4.1	(1,0,1)
21.52	4.1299	1.0	(0,1,2)
22.00	4.0395	2.6	(1,-1,0)
22.10	4.0219	2.8	(1,1,-1)
22.58	3.9378	1.5	(1,0,2)
22.70	3.9167	2.9	(0,1,-3)
22.84	3.8930	2.6	(1,-1,1)
23.17	3.8387	3.2	(1,-1,-1)
23.71	3.7523	1.5	(1,1,-2)
24.50	3.6334	3.4	(1,0,-3)
25.50	3.4931	3.4	(1,-1,2)
26.09	3.4156	2.1	(1,-1,-2)
26.97	3.3059	3.2	(1,1,-3)
27.65	3.2264	2.0	(1,0,3)
28.27	3.1571	3.6	(0,1,-4)
28.49	3.1330	3.5	(1,1,2)
29.17	3.0616	1.5	(0,2,-1)

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Energy Properties

Formation Energy/atom

0.11763

eV/atom

Energy/atom

-2.89279

eV/atom

Energy above Hull

0.2213

eV/atom

Uncorrected Energy

-2.9186

eV/atom

Volume/atom

19.94

Å³

c/a Ratio

2.5356

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

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

0.748

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjecl aaadzprl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074841

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074841, 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   5.37160500
_cell_length_b   6.13192904
_cell_length_c   13.62012129
_cell_angle_alpha   99.94610959
_cell_angle_beta   96.80173100
_cell_angle_gamma   90.00663413
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   438.67406441
_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  0.68972600  0.95859300  0.13521500  1.0
  Mg  Mg1  1  0.05308200  0.40202200  0.21755600  1.0
  Mg  Mg2  1  0.50161500  0.53656200  0.49740700  1.0
  Mg  Mg3  1  0.69362100  0.76232200  0.32934300  1.0
  Mg  Mg4  1  0.52669700  0.45279800  0.12018100  1.0
  Mg  Mg5  1  0.74240000  0.37094700  0.71501000  1.0
  Mg  Mg6  1  0.62517700  0.86399300  0.71174600  1.0
  Mg  Mg7  1  0.51142100  0.05611100  0.52148500  1.0
  Mg  Mg8  1  0.01080900  0.51491200  0.00430000  1.0
  Mg  Mg9  1  0.15526000  0.03300000  0.02977400  1.0
  Mg  Mg10  1  0.49993400  0.66334700  0.90761800  1.0
  Mg  Mg11  1  0.57693000  0.17091500  0.91725900  1.0
  Mg  Mg12  1  0.00259400  0.29697000  0.50980600  1.0
  Mg  Mg13  1  0.01209900  0.81489400  0.56216200  1.0
  Si  Si14  1  0.04421100  0.12965700  0.84155800  1.0
  Si  Si15  1  0.21323800  0.81077300  0.18973600  1.0
  Si  Si16  1  0.69433900  0.26021700  0.32474800  1.0
  Si  Si17  1  0.23324900  0.57106600  0.70271300  1.0
  Si  Si18  1  0.99885300  0.73501800  0.84182500  1.0
  Si  Si19  1  0.25700300  0.14528000  0.34071100  1.0
  Si  Si20  1  0.20043100  0.77544200  0.37623800  1.0
  Si  Si21  1  0.25728200  0.17890300  0.69992000  1.0

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