Mg4Si7

Traditional Materials TRA

MP-ID: mp-1074088 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg4Si7

MP-ID

mp-1074088

Elements

Sites

Density

2.4793

g/cm³

Volume

393.57

Å³

Cell a

4.0694

Cell b

7.9630

Cell c

12.6124

α Angle

102.75

β Angle

98.86

γ Angle

90.16

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
7.28	12.1457	63.1	(0,0,1)
11.40	7.7608	5.5	(0,1,0)
12.08	7.3261	6.3	(0,1,-1)
14.86	5.9621	2.9	(0,1,1)
20.49	4.3348	1.9	(0,1,2)
21.95	4.0486	3.2	(0,0,3)
22.17	4.0088	1.8	(1,0,-1)
22.92	3.8804	1.9	(0,2,0)
24.30	3.6631	5.7	(0,2,-2)
24.41	3.6461	4.2	(1,0,1)
24.55	3.6259	4.3	(1,0,-2)
24.56	3.6251	7.2	(1,-1,0)
24.63	3.6148	7.6	(1,1,-1)
25.37	3.5109	1.1	(1,-1,-1)
25.62	3.4776	8.0	(0,2,1)
25.92	3.4376	1.8	(1,-1,1)
26.07	3.4176	1.1	(1,1,-2)
27.03	3.2994	5.5	(0,1,3)
28.06	3.1795	3.8	(0,2,-3)
29.08	3.0705	2.6	(0,1,-4)
29.17	3.0613	5.3	(1,-1,2)
29.39	3.0392	5.9	(1,1,-3)
29.42	3.0364	1.1	(0,0,4)
31.43	2.8461	17.6	(1,-2,0)

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Energy Properties

Formation Energy/atom

0.22541

eV/atom

Energy/atom

-3.81997

eV/atom

Energy above Hull

0.2846

eV/atom

Uncorrected Energy

-3.8651

eV/atom

Volume/atom

17.89

Å³

c/a Ratio

3.0993

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0081

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Si · 0.636

Element Family

N/A

Solute Fraction

0.364

Interstitial Fraction

0.636

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.496

Family

Binary Alloy

Matrix Element

Si · 0.636

Related Tasks

Related computation task IDs (2)

aaacjcyr aaaeautl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074088

Reference Citation

The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074088, 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_Mg4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06940700
_cell_length_b   7.96297619
_cell_length_c   12.61241960
_cell_angle_alpha   102.75358684
_cell_angle_beta   98.85950475
_cell_angle_gamma   90.16290837
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Si7
_chemical_formula_sum   'Mg8 Si14'
_cell_volume   393.57319785
_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  0.83069400  0.86002700  0.09501300  1.0
  Mg  Mg1  1  0.55030100  0.54612200  0.53464400  1.0
  Mg  Mg2  1  0.13748000  0.86013600  0.70328600  1.0
  Mg  Mg3  1  0.96106500  0.30159600  0.36098800  1.0
  Mg  Mg4  1  0.86448300  0.54074700  0.16684600  1.0
  Mg  Mg5  1  0.68422400  0.64060000  0.80482600  1.0
  Mg  Mg6  1  0.06652900  0.16240300  0.56535200  1.0
  Mg  Mg7  1  0.98510000  0.77227600  0.40468400  1.0
  Si  Si8  1  0.27982400  0.61724600  0.00612900  1.0
  Si  Si9  1  0.28820000  0.27434100  0.00687700  1.0
  Si  Si10  1  0.75617300  0.42204900  0.93879700  1.0
  Si  Si11  1  0.25975600  0.87578500  0.92949600  1.0
  Si  Si12  1  0.47710700  0.06813700  0.40294500  1.0
  Si  Si13  1  0.57376200  0.92104500  0.56733100  1.0
  Si  Si14  1  0.76802800  0.04951200  0.92439400  1.0
  Si  Si15  1  0.84073200  0.20209900  0.12354900  1.0
  Si  Si16  1  0.43340600  0.51952600  0.31229800  1.0
  Si  Si17  1  0.18687300  0.32742500  0.79702800  1.0
  Si  Si18  1  0.10941300  0.50412500  0.66164200  1.0
  Si  Si19  1  0.39934100  0.79884400  0.24317200  1.0
  Si  Si20  1  0.37404200  0.09765400  0.20349900  1.0
  Si  Si21  1  0.66622000  0.13471300  0.74361600  1.0

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