Mg14GaMo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026477 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14GaMo

MP-ID

mp-1026477

Elements

Sites

Density

2.5032

g/cm³

Volume

335.62

Å³

Cell a

6.2527

Cell b

6.2527

Cell c

9.9123

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
8.92	9.9123	2.3	(0,0,0,1)
16.37	5.4150	31.3	(1,0,-1,0)
17.90	4.9561	7.4	(0,0,0,2)
18.67	4.7522	2.0	(1,0,-1,1)
24.35	3.6560	18.3	(1,0,-1,2)
28.55	3.1264	7.3	(2,-1,-1,0)
33.09	2.7075	27.7	(2,0,-2,0)
33.90	2.6442	8.9	(2,-1,-1,2)
36.25	2.4781	24.8	(0,0,0,4)
37.86	2.3761	100.0	(2,0,-2,2)
40.01	2.2533	6.6	(1,0,-1,4)
44.25	2.0467	1.0	(3,-1,-2,0)
44.25	2.0467	2.1	(2,1,-3,0)
46.78	1.9420	1.2	(2,-1,-1,4)
46.78	1.9420	2.5	(1,1,-2,4)
48.10	1.8917	8.8	(3,-1,-2,2)
49.89	1.8280	11.1	(2,0,-2,4)
49.89	1.8280	5.6	(0,2,-2,4)
54.07	1.6960	2.5	(3,0,-3,2)
58.40	1.5801	1.6	(1,0,-1,6)
58.49	1.5781	2.7	(3,-1,-2,4)
59.10	1.5632	5.6	(4,-2,-2,0)
59.10	1.5632	11.2	(2,2,-4,0)
61.77	1.5019	1.7	(4,-1,-3,0)

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Energy Properties

Formation Energy/atom

0.09730

eV/atom

Energy/atom

-2.19647

eV/atom

Energy above Hull

0.1269

eV/atom

Uncorrected Energy

-2.1965

eV/atom

Volume/atom

20.98

Å³

c/a Ratio

1.5853

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.3818

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001140

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

1.1080

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.862%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2317

smaller = more stable mixing

VEC

2.313

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.504

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.778

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgklx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026477

Reference Citation

The crystal structure and related material properties of Mg14GaMo were obtained from the Materials Project database (MP-ID: mp-1026477, 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_Mg14GaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25273508
_cell_length_b   6.25273459
_cell_length_c   9.91224921
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000258
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14GaMo
_chemical_formula_sum   'Mg14 Ga1 Mo1'
_cell_volume   335.61615390
_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  0.16797621  0.83398761  0.12500000  1.0
  Mg  Mg1  1  0.16590322  0.83295111  0.62500000  1.0
  Mg  Mg2  1  0.66601239  0.33202379  0.12500000  1.0
  Mg  Mg3  1  0.66704889  0.33409678  0.62500000  1.0
  Mg  Mg4  1  0.66601239  0.83398761  0.12500000  1.0
  Mg  Mg5  1  0.66704889  0.83295111  0.62500000  1.0
  Mg  Mg6  1  0.32546491  0.17453509  0.37074868  1.0
  Mg  Mg7  1  0.32546491  0.17453509  0.87925132  1.0
  Mg  Mg8  1  0.32546491  0.65093083  0.37074868  1.0
  Mg  Mg9  1  0.32546491  0.65093083  0.87925132  1.0
  Mg  Mg10  1  0.84906917  0.17453509  0.37074868  1.0
  Mg  Mg11  1  0.84906917  0.17453509  0.87925132  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37365951  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87634049  1.0
  Ga  Ga14  1  0.16666700  0.33333300  0.62500000  1.0
  Mo  Mo15  1  0.16666700  0.33333300  0.12500000  1.0

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