NaMg14Ga

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026652 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

NaMg14Ga

MP-ID

mp-1026652

Elements

Sites

Density

1.9721

g/cm³

Volume

364.58

Å³

Cell a

6.3346

Cell b

6.3346

Cell c

10.4911

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
8.43	10.4911	13.1	(0,0,0,1)
16.16	5.4860	7.6	(1,0,-1,0)
16.90	5.2455	2.3	(0,0,0,2)
18.25	4.8614	13.8	(1,0,-1,1)
23.46	3.7913	6.4	(1,0,-1,2)
28.17	3.1673	2.1	(2,-1,-1,0)
29.46	3.0321	3.9	(2,-1,-1,1)
30.31	2.9489	3.5	(1,0,-1,3)
32.65	2.7430	36.4	(2,0,-2,0)
33.04	2.7114	2.8	(2,-1,-1,2)
33.78	2.6538	2.8	(2,0,-2,1)
34.19	2.6228	41.3	(0,0,0,4)
36.98	2.4307	100.0	(2,0,-2,2)
36.98	2.4307	50.0	(0,2,-2,2)
38.03	2.3663	1.9	(1,0,-1,4)
38.34	2.3476	1.7	(1,1,-2,3)
41.86	2.1583	1.9	(2,0,-2,3)
44.54	2.0342	1.9	(2,1,-3,1)
44.87	2.0201	1.2	(2,-1,-1,4)
46.33	1.9598	1.5	(1,0,-1,5)
47.13	1.9283	2.1	(3,-1,-2,2)
47.99	1.8957	23.7	(2,0,-2,4)
51.22	1.7836	1.6	(3,-1,-2,3)
56.58	1.6266	1.1	(3,-1,-2,4)

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Energy Properties

Formation Energy/atom

0.03847

eV/atom

Energy/atom

-1.66130

eV/atom

Energy above Hull

0.0619

eV/atom

Uncorrected Energy

-1.6613

eV/atom

Volume/atom

22.79

Å³

c/a Ratio

1.6562

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

0.8748

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.634%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1568

smaller = more stable mixing

VEC

2.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.742

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.781

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgksq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026652

Reference Citation

The crystal structure and related material properties of NaMg14Ga were obtained from the Materials Project database (MP-ID: mp-1026652, 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_NaMg14Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33463261
_cell_length_b   6.33463211
_cell_length_c   10.49107184
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg14Ga
_chemical_formula_sum   'Na1 Mg14 Ga1'
_cell_volume   364.58039467
_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
  Na  Na0  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg1  1  0.16783948  0.83391924  0.12500000  1.0
  Mg  Mg2  1  0.16637239  0.83318569  0.62500000  1.0
  Mg  Mg3  1  0.66608076  0.33216052  0.12500000  1.0
  Mg  Mg4  1  0.66681431  0.33362761  0.62500000  1.0
  Mg  Mg5  1  0.66608076  0.83391924  0.12500000  1.0
  Mg  Mg6  1  0.66681431  0.83318569  0.62500000  1.0
  Mg  Mg7  1  0.33298959  0.16701041  0.37842986  1.0
  Mg  Mg8  1  0.33298959  0.16701041  0.87157014  1.0
  Mg  Mg9  1  0.33298959  0.66598017  0.37842986  1.0
  Mg  Mg10  1  0.33298959  0.66598017  0.87157014  1.0
  Mg  Mg11  1  0.83401983  0.16701041  0.37842986  1.0
  Mg  Mg12  1  0.83401983  0.16701041  0.87157014  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37294284  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87705716  1.0
  Ga  Ga15  1  0.16666700  0.33333300  0.62500000  1.0

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