Mg5Si9

Traditional Materials TRA

MP-ID: mp-1075609 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg5Si9

MP-ID

mp-1075609

Elements

Sites

Density

2.4830

g/cm³

Volume

500.62

Å³

Cell a

5.7852

Cell b

7.2071

Cell c

13.1212

α Angle

100.93

β Angle

87.09

γ Angle

111.23

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
6.86	12.8808	16.2	(0,0,1)
13.41	6.6037	11.2	(0,1,0)
13.75	6.4404	14.8	(0,0,2)
16.17	5.4814	6.7	(0,1,1)
16.44	5.3917	6.7	(1,0,0)
17.09	5.1887	12.9	(1,-1,0)
17.38	5.1036	18.3	(0,1,-2)
17.71	5.0084	1.7	(1,0,-1)
17.96	4.9395	13.9	(1,0,1)
19.23	4.6159	1.1	(1,-1,-1)
20.59	4.3143	12.5	(1,-1,2)
20.69	4.2936	13.1	(0,0,3)
20.96	4.2376	4.8	(0,1,2)
21.29	4.1744	3.7	(1,0,-2)
21.70	4.0952	4.5	(1,0,2)
22.53	3.9465	3.7	(0,1,-3)
23.33	3.8130	2.2	(1,-1,-2)
24.97	3.5655	7.6	(1,1,-1)
25.77	3.4567	2.8	(1,-2,1)
26.09	3.4149	3.0	(1,-2,0)
26.28	3.3910	5.8	(1,0,-3)
26.51	3.3628	5.8	(1,1,1)
26.61	3.3500	8.2	(0,2,-1)
26.77	3.3306	2.3	(0,1,3)

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Energy Properties

Formation Energy/atom

0.24077

eV/atom

Energy/atom

-3.82924

eV/atom

Energy above Hull

0.2990

eV/atom

Uncorrected Energy

-3.8749

eV/atom

Volume/atom

17.88

Å³

c/a Ratio

2.2681

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

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 · 0.643

Element Family

N/A

Solute Fraction

0.357

Interstitial Fraction

0.643

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.490

Family

Binary Alloy

Matrix Element

Si · 0.643

Related Tasks

Related computation task IDs (2)

aaacjfgf aaadzyhz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1075609

Reference Citation

The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075609, 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_Mg5Si9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78516800
_cell_length_b   7.20712876
_cell_length_c   13.12115101
_cell_angle_alpha   100.92872730
_cell_angle_beta   87.08597631
_cell_angle_gamma   111.22556738
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Si9
_chemical_formula_sum   'Mg10 Si18'
_cell_volume   500.62303088
_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  0.00582000  0.71806200  0.29971000  1.0
  Mg  Mg1  1  0.09045800  0.27362300  0.56420800  1.0
  Mg  Mg2  1  0.50351000  0.56673400  0.46140600  1.0
  Mg  Mg3  1  0.58651900  0.28958600  0.59217200  1.0
  Mg  Mg4  1  0.70948600  0.99272800  0.39287500  1.0
  Mg  Mg5  1  0.13325200  0.84214700  0.55337600  1.0
  Mg  Mg6  1  0.99853500  0.68116900  0.93414900  1.0
  Mg  Mg7  1  0.09276400  0.42823300  0.10402000  1.0
  Mg  Mg8  1  0.42011400  0.94845100  0.81990200  1.0
  Mg  Mg9  1  0.35716200  0.12196800  0.06488000  1.0
  Si  Si10  1  0.37255700  0.37826800  0.92938000  1.0
  Si  Si11  1  0.70818200  0.56585500  0.11636600  1.0
  Si  Si12  1  0.88426800  0.88839400  0.76188500  1.0
  Si  Si13  1  0.12647400  0.29036700  0.28958000  1.0
  Si  Si14  1  0.44769200  0.62376900  0.67844100  1.0
  Si  Si15  1  0.65302700  0.27699900  0.26236500  1.0
  Si  Si16  1  0.85101900  0.26912300  0.75885400  1.0
  Si  Si17  1  0.43232600  0.88207400  0.18414000  1.0
  Si  Si18  1  0.02126300  0.60480900  0.71553100  1.0
  Si  Si19  1  0.91690500  0.44552600  0.43463900  1.0
  Si  Si20  1  0.89400000  0.97722600  0.15931000  1.0
  Si  Si21  1  0.87186100  0.02040400  0.96810500  1.0
  Si  Si22  1  0.24269200  0.22355400  0.75272300  1.0
  Si  Si23  1  0.46905900  0.61003900  0.26574500  1.0
  Si  Si24  1  0.74143800  0.29633700  0.93999300  1.0
  Si  Si25  1  0.49532000  0.73775700  0.99857200  1.0
  Si  Si26  1  0.29513100  0.10969900  0.39046300  1.0
  Si  Si27  1  0.67908400  0.93707900  0.60740200  1.0

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