NaMg14W

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026666 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

NaMg14W

MP-ID

mp-1026666

Elements

Sites

Density

2.5798

g/cm³

Volume

352.15

Å³

Cell a

6.3622

Cell b

6.3622

Cell c

10.0456

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
8.80	10.0456	82.8	(0,0,0,1)
16.09	5.5099	59.4	(1,0,-1,0)
17.66	5.0228	15.5	(0,0,0,2)
18.37	4.8309	59.9	(1,0,-1,1)
18.37	4.8309	29.9	(0,1,-1,1)
23.97	3.7119	41.8	(1,0,-1,2)
26.62	3.3486	3.5	(0,0,0,3)
28.05	3.1811	15.3	(2,-1,-1,0)
29.45	3.0327	26.0	(2,-1,-1,1)
31.26	2.8615	14.3	(1,0,-1,3)
31.26	2.8615	7.2	(0,1,-1,3)
32.50	2.7549	29.1	(2,0,-2,0)
32.50	2.7549	14.5	(0,2,-2,0)
33.34	2.6875	19.3	(2,-1,-1,2)
33.74	2.6568	18.2	(2,0,-2,1)
35.75	2.5114	35.6	(0,0,0,4)
37.22	2.4155	100.0	(2,0,-2,2)
37.22	2.4155	50.0	(0,2,-2,2)
39.06	2.3063	15.8	(2,-1,-1,3)
39.43	2.2852	13.1	(1,0,-1,4)
42.49	2.1275	13.5	(2,0,-2,3)
43.45	2.0825	5.5	(3,-1,-2,0)
43.45	2.0825	2.8	(1,2,-3,0)
44.43	2.0392	19.0	(3,-1,-2,1)

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Energy Properties

Formation Energy/atom

0.20404

eV/atom

Energy/atom

-6.87735

eV/atom

Energy above Hull

0.2040

eV/atom

Uncorrected Energy

-2.1097

eV/atom

Volume/atom

22.01

Å³

c/a Ratio

1.5790

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

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

2.5159

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.208%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2760

smaller = more stable mixing

VEC

2.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.626

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.686

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkte

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026666

Reference Citation

The crystal structure and related material properties of NaMg14W were obtained from the Materials Project database (MP-ID: mp-1026666, 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_NaMg14W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36223445
_cell_length_b   6.36223393
_cell_length_c   10.04563937
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg14W
_chemical_formula_sum   'Na1 Mg14 W1'
_cell_volume   352.14984833
_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  0.17119196  0.83559548  0.12500000  1.0
  Mg  Mg2  1  0.16578337  0.83289119  0.62500000  1.0
  Mg  Mg3  1  0.66440452  0.32880804  0.12500000  1.0
  Mg  Mg4  1  0.66710881  0.33421663  0.62500000  1.0
  Mg  Mg5  1  0.66440452  0.83559548  0.12500000  1.0
  Mg  Mg6  1  0.66710881  0.83289119  0.62500000  1.0
  Mg  Mg7  1  0.32873119  0.17126881  0.38822707  1.0
  Mg  Mg8  1  0.32873119  0.17126881  0.86177293  1.0
  Mg  Mg9  1  0.32873119  0.65746338  0.38822707  1.0
  Mg  Mg10  1  0.32873119  0.65746338  0.86177293  1.0
  Mg  Mg11  1  0.84253662  0.17126881  0.38822707  1.0
  Mg  Mg12  1  0.84253662  0.17126881  0.86177293  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37318621  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87681379  1.0
  W  W15  1  0.16666700  0.33333300  0.62500000  1.0

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