Mg14SnW

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026585 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14SnW

MP-ID

mp-1026585

Elements

Sites

Density

3.0773

g/cm³

Volume

346.87

Å³

Cell a

6.2672

Cell b

6.2672

Cell c

10.1972

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
8.67	10.1972	10.1	(0,0,0,1)
16.33	5.4276	100.0	(1,0,-1,0)
17.39	5.0986	27.8	(0,0,0,2)
18.52	4.7912	8.8	(1,0,-1,1)
23.95	3.7161	74.9	(1,0,-1,2)
28.48	3.1336	25.9	(2,-1,-1,0)
29.83	2.9954	2.3	(2,-1,-1,1)
31.04	2.8808	1.9	(1,0,-1,3)
33.01	2.7138	44.6	(2,0,-2,0)
33.57	2.6697	11.2	(2,-1,-1,2)
33.57	2.6697	22.5	(1,1,-2,2)
34.19	2.6225	1.5	(2,0,-2,1)
35.20	2.5493	34.4	(0,0,0,4)
37.54	2.3956	91.5	(2,0,-2,2)
37.54	2.3956	45.7	(0,2,-2,2)
39.04	2.3075	23.7	(1,0,-1,4)
39.10	2.3039	1.6	(2,-1,-1,3)
42.63	2.1208	1.8	(2,0,-2,3)
44.15	2.0514	9.8	(3,-1,-2,0)
44.15	2.0514	4.9	(1,2,-3,0)
45.08	2.0111	1.1	(3,-1,-2,1)
45.89	1.9776	14.8	(2,-1,-1,4)
47.79	1.9032	19.1	(3,-1,-2,2)
47.79	1.9032	9.5	(1,2,-3,2)

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Energy Properties

Formation Energy/atom

0.13390

eV/atom

Energy/atom

-2.35324

eV/atom

Energy above Hull

0.1652

eV/atom

Uncorrected Energy

-2.3532

eV/atom

Volume/atom

21.68

Å³

c/a Ratio

1.6271

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.9097

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002620

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.4634

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.8528

J/mol·K

Ω Parameter

0.9509

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.412%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2899

smaller = more stable mixing

VEC

2.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.336

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.752

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkqb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026585

Reference Citation

The crystal structure and related material properties of Mg14SnW were obtained from the Materials Project database (MP-ID: mp-1026585, 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

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Raw CIF Data

# generated using pymatgen
data_Mg14SnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26722563
_cell_length_b   6.26722514
_cell_length_c   10.19723155
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14SnW
_chemical_formula_sum   'Mg14 Sn1 W1'
_cell_volume   346.86743424
_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  0.16701753  0.83350827  0.12500000  1.0
  Mg  Mg1  1  0.16635070  0.83317485  0.62500000  1.0
  Mg  Mg2  1  0.66649173  0.33298247  0.12500000  1.0
  Mg  Mg3  1  0.66682515  0.33364930  0.62500000  1.0
  Mg  Mg4  1  0.66649173  0.83350827  0.12500000  1.0
  Mg  Mg5  1  0.66682515  0.83317485  0.62500000  1.0
  Mg  Mg6  1  0.32769088  0.17230912  0.38557307  1.0
  Mg  Mg7  1  0.32769088  0.17230912  0.86442693  1.0
  Mg  Mg8  1  0.32769088  0.65538276  0.38557307  1.0
  Mg  Mg9  1  0.32769088  0.65538276  0.86442693  1.0
  Mg  Mg10  1  0.84461724  0.17230912  0.38557307  1.0
  Mg  Mg11  1  0.84461724  0.17230912  0.86442693  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37641242  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87358758  1.0
  Sn  Sn14  1  0.16666700  0.33333300  0.12500000  1.0
  W  W15  1  0.16666700  0.33333300  0.62500000  1.0

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