Mg5Si9

Traditional Materials TRA

MP-ID: mp-1075664 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Mg5Si9

MP-ID

mp-1075664

Elements

Sites

Density

2.2551

g/cm³

Volume

551.22

Å³

Cell a

6.8902

Cell b

7.4607

Cell c

12.6417

α Angle

83.83

β Angle

77.66

γ Angle

60.26

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
7.16	12.3498	15.2	(0,0,1)
13.67	6.4779	1.0	(0,1,0)
14.34	6.1749	27.2	(0,0,2)
14.60	6.0652	3.4	(1,1,0)
14.98	5.9153	6.2	(1,1,1)
15.07	5.8785	55.1	(1,0,0)
15.43	5.7408	12.7	(0,1,1)
15.44	5.7375	1.2	(1,0,1)
15.46	5.7324	2.6	(0,1,-1)
17.49	5.0701	6.6	(1,1,-1)
17.88	4.9622	6.7	(1,0,-1)
18.42	4.8175	7.2	(1,1,2)
18.81	4.7176	3.4	(1,0,2)
19.85	4.4736	4.5	(0,1,2)
19.88	4.4656	13.0	(0,1,-2)
21.59	4.1166	1.1	(0,0,3)
22.45	3.9611	27.1	(1,1,-2)
22.74	3.9104	2.2	(1,0,-2)
23.66	3.7606	14.4	(1,1,3)
23.98	3.7114	19.2	(1,0,3)
24.06	3.6989	23.6	(1,2,0)
24.28	3.6652	40.4	(1,2,1)
24.92	3.5725	5.1	(1,-1,0)
25.16	3.5391	31.1	(1,-1,1)

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Energy Properties

Formation Energy/atom

0.16185

eV/atom

Energy/atom

-3.90816

eV/atom

Energy above Hull

0.2200

eV/atom

Uncorrected Energy

-3.9538

eV/atom

Volume/atom

19.69

Å³

c/a Ratio

1.8347

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0048

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 · 0.643

Element Family

N/A

Solute Fraction

0.357

Interstitial Fraction

0.643

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.542

Family

Binary Alloy

Matrix Element

Si · 0.643

Related Tasks

Related computation task IDs (2)

aaacjfjd aaaefwse

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1075664

Reference Citation

The crystal structure and related material properties of Mg5Si9 were obtained from the Materials Project database (MP-ID: mp-1075664, 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   6.89024292
_cell_length_b   7.46070852
_cell_length_c   12.64171191
_cell_angle_alpha   83.82737515
_cell_angle_beta   77.66273599
_cell_angle_gamma   60.25781502
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Si9
_chemical_formula_sum   'Mg10 Si18'
_cell_volume   551.22127737
_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  0.48441600  0.05241600  0.72166200  1.0
  Mg  Mg1  1  0.22485500  0.90398300  0.43517000  1.0
  Mg  Mg2  1  0.48978200  0.40935700  0.53510300  1.0
  Mg  Mg3  1  0.78161700  0.56545600  0.37459700  1.0
  Mg  Mg4  1  0.03542900  0.34048200  0.56678200  1.0
  Mg  Mg5  1  0.73617100  0.93879800  0.47002500  1.0
  Mg  Mg6  1  0.41781300  0.76325000  0.17046600  1.0
  Mg  Mg7  1  0.84113600  0.81167900  0.89017300  1.0
  Mg  Mg8  1  0.60646200  0.23292900  0.12918600  1.0
  Mg  Mg9  1  0.49173300  0.59417900  0.94180100  1.0
  Si  Si10  1  0.90137000  0.73920800  0.14300200  1.0
  Si  Si11  1  0.15137100  0.34359800  0.89664100  1.0
  Si  Si12  1  0.85201400  0.19195100  0.33020000  1.0
  Si  Si13  1  0.18590900  0.80655200  0.70818100  1.0
  Si  Si14  1  0.21007400  0.52983000  0.23897400  1.0
  Si  Si15  1  0.76196100  0.27159100  0.78252800  1.0
  Si  Si16  1  0.21098600  0.20547300  0.27113000  1.0
  Si  Si17  1  0.74383900  0.60480600  0.74407100  1.0
  Si  Si18  1  0.01975700  0.18728700  0.13960400  1.0
  Si  Si19  1  0.87793100  0.07397800  0.62155000  1.0
  Si  Si20  1  0.09988900  0.05652200  0.85195700  1.0
  Si  Si21  1  0.09475900  0.91071800  0.03131200  1.0
  Si  Si22  1  0.58329300  0.93709800  0.28416600  1.0
  Si  Si23  1  0.14317300  0.49720000  0.72255000  1.0
  Si  Si24  1  0.51877900  0.21290300  0.93116100  1.0
  Si  Si25  1  0.84677100  0.51149900  0.04680100  1.0
  Si  Si26  1  0.54631800  0.72180800  0.59428800  1.0
  Si  Si27  1  0.14258100  0.58559800  0.42668200  1.0

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