Mg7Si4

Traditional Materials TRA

MP-ID: mp-1074938 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg7Si4

MP-ID

mp-1074938

Elements

Sites

Density

2.0654

g/cm³

Volume

454.20

Å³

Cell a

4.2608

Cell b

7.0376

Cell c

15.3250

α Angle

95.30

β Angle

96.90

γ Angle

90.22

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
5.83	15.1474	1.7	(0,0,1)
11.68	7.5737	18.2	(0,0,2)
12.63	7.0067	1.0	(0,1,0)
13.42	6.5988	2.0	(0,1,-1)
14.42	6.1441	9.8	(0,1,1)
16.41	5.4013	13.2	(0,1,-2)
17.57	5.0491	3.3	(0,0,3)
20.70	4.2911	12.7	(0,1,-3)
21.00	4.2295	1.8	(1,0,0)
21.11	4.2076	2.7	(1,0,-1)
22.50	3.9517	1.1	(1,0,1)
22.65	3.9259	11.1	(0,1,3)
22.81	3.8989	2.0	(1,0,-2)
23.49	3.7869	3.6	(0,0,4)
24.42	3.6455	2.5	(1,-1,0)
24.56	3.6247	4.1	(1,1,-1)
24.75	3.5969	4.6	(1,1,0)
24.80	3.5899	7.7	(1,-1,-1)
25.42	3.5034	6.6	(0,2,0)
25.45	3.5003	6.5	(1,-1,1)
25.67	3.4699	2.0	(0,1,-4)
25.77	3.4575	7.0	(1,1,-2)
26.32	3.3866	5.3	(1,1,1)
26.54	3.3585	5.3	(1,-1,-2)

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Energy Properties

Formation Energy/atom

0.12348

eV/atom

Energy/atom

-2.88693

eV/atom

Energy above Hull

0.2271

eV/atom

Uncorrected Energy

-2.9128

eV/atom

Volume/atom

20.65

Å³

c/a Ratio

3.5968

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0013

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)

aaacjehf aaadzjsm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074938

Reference Citation

The crystal structure and related material properties of Mg7Si4 were obtained from the Materials Project database (MP-ID: mp-1074938, 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   4.26078300
_cell_length_b   7.03761814
_cell_length_c   15.32494815
_cell_angle_alpha   95.30098709
_cell_angle_beta   96.89607273
_cell_angle_gamma   90.22266674
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Si4
_chemical_formula_sum   'Mg14 Si8'
_cell_volume   454.20253809
_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  0.59100100  0.88387600  0.11895000  1.0
  Mg  Mg1  1  0.23019700  0.64617800  0.39150600  1.0
  Mg  Mg2  1  0.79566400  0.58189200  0.53578300  1.0
  Mg  Mg3  1  0.71324300  0.28917400  0.33340700  1.0
  Mg  Mg4  1  0.58946100  0.33739300  0.13390800  1.0
  Mg  Mg5  1  0.89304000  0.75454500  0.73314800  1.0
  Mg  Mg6  1  0.84227000  0.27554900  0.67301600  1.0
  Mg  Mg7  1  0.75874600  0.95925900  0.44726700  1.0
  Mg  Mg8  1  0.05415700  0.59646100  0.03761700  1.0
  Mg  Mg9  1  0.03655500  0.07769500  0.01170900  1.0
  Mg  Mg10  1  0.50762500  0.34342100  0.93070300  1.0
  Mg  Mg11  1  0.49447100  0.76663500  0.89777000  1.0
  Mg  Mg12  1  0.28120100  0.27983900  0.50197000  1.0
  Mg  Mg13  1  0.33454400  0.90358600  0.59741200  1.0
  Si  Si14  1  0.96799600  0.16176000  0.84129300  1.0
  Si  Si15  1  0.12178100  0.10900500  0.19665600  1.0
  Si  Si16  1  0.66448700  0.63146300  0.26559300  1.0
  Si  Si17  1  0.33871400  0.53650900  0.64701200  1.0
  Si  Si18  1  0.98182100  0.51333600  0.85885600  1.0
  Si  Si19  1  0.13891500  0.76538200  0.21838200  1.0
  Si  Si20  1  0.21911500  0.04574500  0.35077500  1.0
  Si  Si21  1  0.44142000  0.03770600  0.77364900  1.0

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