Mg4Si7

Traditional Materials TRA

MP-ID: mp-1074094 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg4Si7

MP-ID

mp-1074094

Elements

Sites

Density

2.4076

g/cm³

Volume

405.31

Å³

Cell a

4.2776

Cell b

6.8243

Cell c

14.0125

α Angle

92.76

β Angle

97.24

γ Angle

89.91

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
6.37	13.8843	25.9	(0,0,1)
14.19	6.2394	16.6	(0,1,-1)
14.75	6.0047	3.2	(0,1,1)
17.79	4.9859	2.2	(0,1,-2)
18.68	4.7501	6.5	(0,1,2)
19.18	4.6281	1.6	(0,0,3)
20.93	4.2435	4.8	(1,0,0)
21.11	4.2093	3.2	(1,0,-1)
22.67	3.9222	9.3	(1,0,1)
22.69	3.9181	7.8	(0,1,-3)
23.15	3.8428	11.4	(1,0,-2)
23.76	3.7455	6.8	(0,1,3)
24.66	3.6098	1.5	(1,-1,0)
24.75	3.5978	1.2	(1,1,-1)
24.77	3.5950	1.2	(1,1,0)
25.95	3.4330	4.3	(1,0,2)
26.15	3.4081	4.9	(0,2,0)
26.42	3.3736	1.1	(1,1,1)
26.63	3.3476	1.2	(0,2,-1)
26.65	3.3450	5.5	(1,0,-3)
27.24	3.2734	7.4	(0,2,1)
28.28	3.1555	4.1	(0,1,-4)
28.79	3.1008	1.0	(1,-1,2)
29.37	3.0409	1.2	(1,1,-3)

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Energy Properties

Formation Energy/atom

0.18330

eV/atom

Energy/atom

-3.86207

eV/atom

Energy above Hull

0.2425

eV/atom

Uncorrected Energy

-3.9073

eV/atom

Volume/atom

18.42

Å³

c/a Ratio

3.2758

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

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

0.524

Family

Binary Alloy

Matrix Element

Si · 0.636

Related Tasks

Related computation task IDs (2)

aaacjcza aaacyqrg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074094

Reference Citation

The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074094, 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

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Raw CIF Data

# generated using pymatgen
data_Mg4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27763600
_cell_length_b   6.82425412
_cell_length_c   14.01245673
_cell_angle_alpha   92.76492501
_cell_angle_beta   97.24276784
_cell_angle_gamma   89.91161629
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Si7
_chemical_formula_sum   'Mg8 Si14'
_cell_volume   405.30660157
_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  0.11092600  0.92475900  0.08361100  1.0
  Mg  Mg1  1  0.29241500  0.68054000  0.48967200  1.0
  Mg  Mg2  1  0.86398800  0.87453000  0.65621000  1.0
  Mg  Mg3  1  0.72556000  0.48098100  0.34183500  1.0
  Mg  Mg4  1  0.14517800  0.46248700  0.16020300  1.0
  Mg  Mg5  1  0.92266000  0.39511000  0.78551200  1.0
  Mg  Mg6  1  0.82442800  0.37080600  0.56768900  1.0
  Mg  Mg7  1  0.75634200  0.98394800  0.41298000  1.0
  Si  Si8  1  0.58569200  0.61996500  0.03568200  1.0
  Si  Si9  1  0.59103900  0.26390000  0.03823300  1.0
  Si  Si10  1  0.05632700  0.22098400  0.95429700  1.0
  Si  Si11  1  0.04949800  0.62165500  0.94696600  1.0
  Si  Si12  1  0.26361400  0.29732800  0.43130300  1.0
  Si  Si13  1  0.31559800  0.05714500  0.55067800  1.0
  Si  Si14  1  0.49203300  0.73028400  0.83382700  1.0
  Si  Si15  1  0.65857000  0.13524600  0.19690300  1.0
  Si  Si16  1  0.20429900  0.77243800  0.29728200  1.0
  Si  Si17  1  0.00794900  0.91752400  0.85762900  1.0
  Si  Si18  1  0.37670500  0.57283900  0.67315500  1.0
  Si  Si19  1  0.66388300  0.76973700  0.19948000  1.0
  Si  Si20  1  0.19164000  0.12830200  0.27830300  1.0
  Si  Si21  1  0.39430900  0.21583500  0.70494800  1.0

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