Mg2Si3

Traditional Materials TRA

MP-ID: mp-1073033 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Mg2Si3

MP-ID

mp-1073033

Elements

Sites

Density

2.3868

g/cm³

Volume

369.76

Å³

Cell a

6.0415

Cell b

6.0415

Cell c

17.9977

α Angle

85.28

β Angle

85.28

γ Angle

34.40

Space Group

Point Group

Crystal System

Monoclinic

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
4.93	17.9307	15.6	(0,0,1)
9.87	8.9653	12.8	(0,0,2)
14.82	5.9769	2.3	(0,0,3)
15.41	5.7498	1.4	(1,1,0)
15.78	5.6178	18.5	(1,1,1)
16.59	5.3429	38.2	(1,1,-1)
19.81	4.4827	1.4	(0,0,4)
20.49	4.3345	2.0	(1,1,3)
22.36	3.9760	23.9	(1,1,-3)
24.83	3.5861	4.1	(0,0,5)
26.12	3.4122	5.0	(1,0,0)
26.46	3.3679	11.7	(1,0,1)
27.73	3.2165	16.3	(1,0,2)
28.17	3.1679	3.6	(1,1,5)
28.22	3.1623	1.4	(1,0,-2)
29.82	2.9965	39.2	(1,0,3)
29.90	2.9885	23.0	(0,0,6)
30.49	2.9315	6.6	(1,1,-5)
30.50	2.9312	18.6	(1,0,-3)
31.11	2.8749	6.5	(2,2,0)
31.95	2.8011	1.0	(2,2,-1)
32.57	2.7492	33.7	(1,0,4)
33.41	2.6823	7.2	(1,0,-4)
33.55	2.6715	38.7	(2,2,-2)

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Energy Properties

Formation Energy/atom

0.16084

eV/atom

Energy/atom

-3.74654

eV/atom

Energy above Hull

0.2260

eV/atom

Uncorrected Energy

-3.7891

eV/atom

Volume/atom

18.49

Å³

c/a Ratio

2.9790

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0040

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 · 0.600

Element Family

N/A

Solute Fraction

0.400

Interstitial Fraction

0.600

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.516

Family

Binary Alloy

Matrix Element

Si · 0.600

Related Tasks

Related computation task IDs (2)

aaacjbkv aaaeaxpl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1073033

Reference Citation

The crystal structure and related material properties of Mg2Si3 were obtained from the Materials Project database (MP-ID: mp-1073033, 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_Mg2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04144590
_cell_length_b   6.04144590
_cell_length_c   17.99765133
_cell_angle_alpha   85.27716389
_cell_angle_beta   85.27716389
_cell_angle_gamma   34.40144578
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Si3
_chemical_formula_sum   'Mg8 Si12'
_cell_volume   369.75796034
_cell_formula_units_Z   4
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  0.91418200  0.91418200  0.79690100  1.0
  Mg  Mg1  1  0.98305000  0.98305000  0.20970500  1.0
  Mg  Mg2  1  0.52953100  0.52953100  0.95185200  1.0
  Mg  Mg3  1  0.86287000  0.86287000  0.06093800  1.0
  Mg  Mg4  1  0.66294100  0.66294100  0.29627400  1.0
  Mg  Mg5  1  0.25198400  0.25198400  0.69323000  1.0
  Mg  Mg6  1  0.78499800  0.78499800  0.44383000  1.0
  Mg  Mg7  1  0.12695200  0.12695200  0.55073200  1.0
  Si  Si8  1  0.27050900  0.27050900  0.96627000  1.0
  Si  Si9  1  0.10372500  0.10372500  0.05739000  1.0
  Si  Si10  1  0.22917400  0.22917400  0.84164500  1.0
  Si  Si11  1  0.65223700  0.65223700  0.14616000  1.0
  Si  Si12  1  0.35220000  0.35220000  0.31820600  1.0
  Si  Si13  1  0.56052200  0.56052200  0.67686800  1.0
  Si  Si14  1  0.53833900  0.53833900  0.44852800  1.0
  Si  Si15  1  0.37524900  0.37524900  0.54818900  1.0
  Si  Si16  1  0.99457300  0.99457300  0.36046600  1.0
  Si  Si17  1  0.92175200  0.92175200  0.63896200  1.0
  Si  Si18  1  0.60707800  0.60707800  0.80674400  1.0
  Si  Si19  1  0.29335400  0.29335400  0.18714000  1.0

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