Mg14GaW

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026453 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14GaW

MP-ID

mp-1026453

Elements

Sites

Density

2.9467

g/cm³

Volume

334.64

Å³

Cell a

6.2393

Cell b

6.2393

Cell c

9.9261

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
8.91	9.9261	20.7	(0,0,0,1)
16.41	5.4034	59.5	(1,0,-1,0)
17.87	4.9631	15.0	(0,0,0,2)
18.70	4.7458	23.1	(1,0,-1,1)
24.35	3.6552	40.2	(1,0,-1,2)
26.95	3.3087	1.2	(0,0,0,3)
28.61	3.1196	14.9	(2,-1,-1,0)
30.03	2.9761	7.1	(2,-1,-1,1)
31.71	2.8217	6.0	(1,0,-1,3)
33.16	2.7017	31.0	(2,0,-2,0)
33.94	2.6412	18.8	(2,-1,-1,2)
34.40	2.6068	4.9	(2,0,-2,1)
36.20	2.4815	24.4	(0,0,0,4)
37.92	2.3729	100.0	(2,0,-2,2)
39.71	2.2698	3.7	(2,-1,-1,3)
39.98	2.2551	13.2	(1,0,-1,4)
43.23	2.0927	3.2	(2,0,-2,3)
44.36	2.0423	5.1	(3,-1,-2,0)
44.36	2.0423	2.6	(1,2,-3,0)
45.34	2.0004	3.3	(3,-1,-2,1)
45.34	2.0004	1.6	(1,2,-3,1)
46.78	1.9421	8.0	(2,-1,-1,4)
48.18	1.8886	16.9	(3,-1,-2,2)
48.88	1.8634	2.1	(1,0,-1,5)

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Energy Properties

Formation Energy/atom

0.14116

eV/atom

Energy/atom

-2.28465

eV/atom

Energy above Hull

0.1646

eV/atom

Uncorrected Energy

-2.2847

eV/atom

Volume/atom

20.91

Å³

c/a Ratio

1.5909

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

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

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

1.1158

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.862%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2741

smaller = more stable mixing

VEC

2.313

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.652

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.753

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkkz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026453

Reference Citation

The crystal structure and related material properties of Mg14GaW were obtained from the Materials Project database (MP-ID: mp-1026453, 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_Mg14GaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23925880
_cell_length_b   6.23925831
_cell_length_c   9.92612628
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000258
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14GaW
_chemical_formula_sum   'Mg14 Ga1 W1'
_cell_volume   334.63886841
_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  0.16762065  0.83380982  0.12500000  1.0
  Mg  Mg1  1  0.16698749  0.83349324  0.62500000  1.0
  Mg  Mg2  1  0.66619018  0.33237935  0.12500000  1.0
  Mg  Mg3  1  0.66650676  0.33301251  0.62500000  1.0
  Mg  Mg4  1  0.66619018  0.83380982  0.12500000  1.0
  Mg  Mg5  1  0.66650676  0.83349324  0.62500000  1.0
  Mg  Mg6  1  0.32570885  0.17429115  0.37005488  1.0
  Mg  Mg7  1  0.32570885  0.17429115  0.87994512  1.0
  Mg  Mg8  1  0.32570885  0.65141870  0.37005488  1.0
  Mg  Mg9  1  0.32570885  0.65141870  0.87994512  1.0
  Mg  Mg10  1  0.84858130  0.17429115  0.37005488  1.0
  Mg  Mg11  1  0.84858130  0.17429115  0.87994512  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37397295  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87602705  1.0
  Ga  Ga14  1  0.16666700  0.33333300  0.62500000  1.0
  W  W15  1  0.16666700  0.33333300  0.12500000  1.0

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