Mg15Sn

Traditional Materials TRA

MP-ID: mp-1023593 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg15Sn

MP-ID

mp-1023593

Elements

Sites

Density

2.2332

g/cm³

Volume

359.35

Å³

Cell a

6.3386

Cell b

6.3386

Cell c

10.3275

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

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
8.56	10.3275	22.1	(0,0,0,1)
16.15	5.4894	17.1	(1,0,-1,0)
17.17	5.1638	5.0	(0,0,0,2)
18.30	4.8472	26.2	(1,0,-1,1)
23.66	3.7612	4.9	(1,-1,0,2)
23.66	3.7612	9.8	(1,0,-1,2)
25.88	3.4425	2.0	(0,0,0,3)
28.16	3.1693	4.8	(2,-1,-1,0)
29.48	3.0299	8.5	(2,-1,-1,1)
30.65	2.9165	7.7	(1,0,-1,3)
32.62	2.7447	26.0	(2,0,-2,0)
33.17	2.7011	4.2	(2,-1,-1,2)
33.17	2.7011	2.1	(1,1,-2,2)
33.79	2.6526	6.0	(2,0,-2,1)
34.75	2.5819	26.4	(0,0,0,4)
37.09	2.4236	100.0	(2,0,-2,2)
38.53	2.3364	4.2	(1,0,-1,4)
38.61	2.3317	4.3	(2,-1,-1,3)
42.10	2.1461	3.4	(2,0,-2,3)
43.62	2.0748	2.1	(3,-1,-2,0)
43.62	2.0748	1.0	(2,1,-3,0)
44.54	2.0342	1.9	(3,-2,-1,1)
44.54	2.0342	3.8	(3,-1,-2,1)
45.30	2.0017	2.8	(2,-1,-1,4)

Get direct link

Energy Properties

Formation Energy/atom

0.00893

eV/atom

Energy/atom

-1.77023

eV/atom

Energy above Hull

0.0403

eV/atom

Uncorrected Energy

-5.4700

eV/atom

Volume/atom

22.46

Å³

c/a Ratio

1.6293

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

Mg · 0.938

Element Family

N/A

Solute Fraction

0.063

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.858

Family

Mg-based Alloy

Matrix Element

Mg · 0.938

Related Tasks

Related computation task IDs (2)

aaacggog aaaemdng

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023593

Reference Citation

The crystal structure and related material properties of Mg15Sn were obtained from the Materials Project database (MP-ID: mp-1023593, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Mg15Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33862680
_cell_length_b   6.33862680
_cell_length_c   10.32751509
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000589
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg15Sn
_chemical_formula_sum   'Mg15 Sn1'
_cell_volume   359.34930540
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg1  1  0.99890999  0.49945499  0.50000000  1.0
  Mg  Mg2  1  0.00036599  0.50018250  0.00000000  1.0
  Mg  Mg3  1  0.50054501  0.49945499  0.50000000  1.0
  Mg  Mg4  1  0.49981750  0.50018250  0.00000000  1.0
  Mg  Mg5  1  0.50054501  0.00109001  0.50000000  1.0
  Mg  Mg6  1  0.49981750  0.99963401  -0.00000000  1.0
  Mg  Mg7  1  0.16711384  0.33422868  0.25007444  1.0
  Mg  Mg8  1  0.16711384  0.33422868  0.74992556  1.0
  Mg  Mg9  1  0.16711384  0.83288616  0.25007444  1.0
  Mg  Mg10  1  0.16711384  0.83288616  0.74992556  1.0
  Mg  Mg11  1  0.66577132  0.83288616  0.25007444  1.0
  Mg  Mg12  1  0.66577132  0.83288616  0.74992556  1.0
  Mg  Mg13  1  0.66666700  0.33333300  0.24981333  1.0
  Mg  Mg14  1  0.66666700  0.33333300  0.75018667  1.0
  Sn  Sn15  1  0.00000000  0.00000000  0.50000000  1.0

Get direct link