Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074927 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074927

Elements

Sites

Density

2.1072

g/cm³

Volume

445.21

Å³

Cell a

4.2878

Cell b

6.2541

Cell c

16.8468

α Angle

99.02

β Angle

93.77

γ Angle

89.79

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
10.66	8.3012	44.3	(0,0,2)
14.34	6.1766	7.4	(0,1,0)
14.50	6.1106	7.4	(0,1,-1)
16.08	5.5134	2.1	(0,1,1)
19.21	4.6205	6.4	(0,1,2)
19.79	4.4862	11.0	(0,1,-3)
20.76	4.2784	7.8	(1,0,0)
21.41	4.1506	1.7	(0,0,4)
21.79	4.0786	8.2	(1,0,1)
22.75	3.9095	1.1	(1,0,-2)
23.20	3.8338	1.3	(0,1,3)
23.88	3.7261	5.3	(0,1,-4)
24.02	3.7048	3.9	(1,0,2)
25.20	3.5340	5.9	(1,1,-1)
25.24	3.5284	3.9	(1,-1,0)
25.41	3.5059	2.3	(1,1,0)
25.46	3.4983	1.9	(1,0,-3)
25.63	3.4762	2.4	(1,-1,1)
26.00	3.4268	3.8	(1,-1,-1)
26.14	3.4092	1.6	(1,1,-2)
26.85	3.3205	14.5	(0,0,5)
27.11	3.2891	4.9	(1,-1,2)
27.17	3.2818	2.0	(1,0,3)
27.82	3.2068	4.1	(1,-1,-2)

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Energy Properties

Formation Energy/atom

0.10777

eV/atom

Energy/atom

-2.90265

eV/atom

Energy above Hull

0.2114

eV/atom

Uncorrected Energy

-2.9285

eV/atom

Volume/atom

20.24

Å³

c/a Ratio

3.9290

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

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

0.754

Family

Mg-based Alloy

Matrix Element

Mg · 0.636

Related Tasks

Related computation task IDs (2)

aaacjege aaadzsvn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074927

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074927, 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   4.28780100
_cell_length_b   6.25405217
_cell_length_c   16.84677798
_cell_angle_alpha   99.01575717
_cell_angle_beta   93.76685417
_cell_angle_gamma   89.79465628
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   445.20973204
_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  0.42551900  0.85989300  0.86181400  1.0
  Mg  Mg1  1  0.90457900  0.12889500  0.77553100  1.0
  Mg  Mg2  1  0.34620000  0.10700800  0.53615200  1.0
  Mg  Mg3  1  0.38693000  0.40248000  0.70336400  1.0
  Mg  Mg4  1  0.43113700  0.37888800  0.88839800  1.0
  Mg  Mg5  1  0.28421600  0.54561800  0.33615700  1.0
  Mg  Mg6  1  0.28913100  0.02854100  0.29749600  1.0
  Mg  Mg7  1  0.34747400  0.60904400  0.53630700  1.0
  Mg  Mg8  1  0.96152100  0.65912700  0.97898700  1.0
  Mg  Mg9  1  0.95532100  0.15771000  0.97286200  1.0
  Mg  Mg10  1  0.48637700  0.94386900  0.06958300  1.0
  Mg  Mg11  1  0.47886200  0.46388800  0.10687800  1.0
  Mg  Mg12  1  0.81579900  0.83053700  0.43329900  1.0
  Mg  Mg13  1  0.81533900  0.31413200  0.42669000  1.0
  Si  Si14  1  0.00224500  0.16799500  0.14014200  1.0
  Si  Si15  1  0.91570600  0.56783700  0.81159800  1.0
  Si  Si16  1  0.37985600  0.92487100  0.67811200  1.0
  Si  Si17  1  0.76745200  0.71973100  0.26687100  1.0
  Si  Si18  1  0.00447900  0.77604900  0.14515500  1.0
  Si  Si19  1  0.88336400  0.71989100  0.68510800  1.0
  Si  Si20  1  0.85929200  0.37818000  0.59182700  1.0
  Si  Si21  1  0.75923700  0.32324800  0.26137100  1.0

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