Mg4Si7

Traditional Materials TRA

MP-ID: mp-1074265 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg4Si7

MP-ID

mp-1074265

Elements

Sites

Density

2.4592

g/cm³

Volume

396.80

Å³

Cell a

3.9143

Cell b

7.0682

Cell c

14.4766

α Angle

97.79

β Angle

90.71

γ Angle

90.30

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
6.16	14.3419	35.1	(0,0,1)
12.34	7.1709	1.1	(0,0,2)
12.64	7.0029	2.4	(0,1,0)
13.30	6.6587	22.4	(0,1,-1)
14.81	5.9812	2.6	(0,1,1)
16.45	5.3886	5.7	(0,1,-2)
18.56	4.7806	6.4	(0,0,3)
18.87	4.7017	3.5	(0,1,2)
21.03	4.2240	5.6	(0,1,-3)
23.48	3.7886	10.0	(1,0,-1)
23.64	3.7633	13.5	(1,0,1)
23.92	3.7205	8.4	(0,1,3)
24.83	3.5855	2.8	(0,0,4)
25.35	3.5130	1.6	(0,2,-1)
25.44	3.5014	9.3	(0,2,0)
25.79	3.4548	2.3	(1,0,-2)
26.08	3.4166	1.3	(1,0,2)
26.16	3.4065	1.5	(1,1,0)
26.41	3.3749	2.1	(1,-1,1)
26.42	3.3735	1.7	(1,1,-1)
26.78	3.3294	2.0	(0,2,-2)
27.02	3.3000	2.1	(0,2,1)
28.12	3.1737	1.4	(1,1,-2)
29.30	3.0483	3.4	(1,0,-3)

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Energy Properties

Formation Energy/atom

0.20269

eV/atom

Energy/atom

-3.84268

eV/atom

Energy above Hull

0.2619

eV/atom

Uncorrected Energy

-3.8879

eV/atom

Volume/atom

18.04

Å³

c/a Ratio

3.6984

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0027

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

0.511

Family

Binary Alloy

Matrix Element

Si · 0.636

Related Tasks

Related computation task IDs (2)

aaacjdge aaaeanms

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074265

Reference Citation

The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074265, 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   3.91434300
_cell_length_b   7.06820885
_cell_length_c   14.47659855
_cell_angle_alpha   97.78652282
_cell_angle_beta   90.71007098
_cell_angle_gamma   90.29837968
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Si7
_chemical_formula_sum   'Mg8 Si14'
_cell_volume   396.79670169
_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  0.94184400  0.11722800  0.93566700  1.0
  Mg  Mg1  1  0.91666000  0.27596200  0.50356300  1.0
  Mg  Mg2  1  0.40347200  0.04934000  0.34563000  1.0
  Mg  Mg3  1  0.42818400  0.49403300  0.66060200  1.0
  Mg  Mg4  1  0.94635400  0.54958300  0.84215400  1.0
  Mg  Mg5  1  0.46567000  0.72987300  0.17152100  1.0
  Mg  Mg6  1  0.42097700  0.57274100  0.42617100  1.0
  Mg  Mg7  1  0.42187900  0.99182100  0.58501100  1.0
  Si  Si8  1  0.43905700  0.41415300  0.97102100  1.0
  Si  Si9  1  0.46446500  0.75627400  0.95561000  1.0
  Si  Si10  1  0.96873900  0.86115700  0.05900400  1.0
  Si  Si11  1  0.94514400  0.44168300  0.08205900  1.0
  Si  Si12  1  0.92481100  0.66653900  0.56542300  1.0
  Si  Si13  1  0.91633800  0.88979200  0.45447500  1.0
  Si  Si14  1  0.36686300  0.35705300  0.20922400  1.0
  Si  Si15  1  0.43380500  0.87792900  0.80924800  1.0
  Si  Si16  1  0.93028100  0.21826600  0.69828300  1.0
  Si  Si17  1  0.46611800  0.09365200  0.08996900  1.0
  Si  Si18  1  0.88307900  0.34354500  0.31380300  1.0
  Si  Si19  1  0.43388100  0.23751800  0.80904900  1.0
  Si  Si20  1  0.92675000  0.86093700  0.71221600  1.0
  Si  Si21  1  0.95190600  0.70459100  0.30388600  1.0

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