NaMg14Nb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026670 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

NaMg14Nb

MP-ID

mp-1026670

Elements

Sites

Density

2.0970

g/cm³

Volume

361.22

Å³

Cell a

6.4439

Cell b

6.4439

Cell c

10.0450

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	10.0450	18.1	(0,0,0,1)
15.88	5.5806	8.0	(1,0,-1,0)
15.88	5.5806	4.0	(0,1,-1,0)
17.66	5.0225	2.9	(0,0,0,2)
18.19	4.8783	18.6	(1,0,-1,1)
23.84	3.7332	7.8	(1,0,-1,2)
27.69	3.2219	2.9	(2,-1,-1,0)
29.11	3.0680	5.1	(2,-1,-1,1)
31.15	2.8712	4.1	(1,0,-1,3)
32.08	2.7903	26.0	(2,0,-2,0)
33.03	2.7119	3.6	(2,-1,-1,2)
33.33	2.6885	3.5	(2,0,-2,1)
35.76	2.5113	23.8	(0,0,0,4)
36.85	2.4392	100.0	(2,0,-2,2)
38.79	2.3217	3.1	(2,-1,-1,3)
39.34	2.2901	2.4	(1,0,-1,4)
42.16	2.1436	2.9	(2,0,-2,3)
42.88	2.1093	1.4	(3,-1,-2,0)
43.86	2.0642	2.4	(3,-1,-2,1)
43.86	2.0642	1.2	(1,2,-3,1)
45.81	1.9807	1.5	(2,-1,-1,4)
46.71	1.9447	3.3	(3,-1,-2,2)
48.14	1.8903	1.7	(1,0,-1,5)
48.79	1.8666	15.2	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

0.13249

eV/atom

Energy/atom

-2.00936

eV/atom

Energy above Hull

0.1325

eV/atom

Uncorrected Energy

-2.0094

eV/atom

Volume/atom

22.58

Å³

c/a Ratio

1.5589

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

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

3.3707

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.569%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1194

smaller = more stable mixing

VEC

2.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.146

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.734

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkti

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026670

Reference Citation

The crystal structure and related material properties of NaMg14Nb were obtained from the Materials Project database (MP-ID: mp-1026670, 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_NaMg14Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44388400
_cell_length_b   6.44388347
_cell_length_c   10.04501850
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg14Nb
_chemical_formula_sum   'Na1 Mg14 Nb1'
_cell_volume   361.22412903
_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  0.16958073  0.83478986  0.12500000  1.0
  Mg  Mg2  1  0.16843253  0.83421577  0.62500000  1.0
  Mg  Mg3  1  0.66521014  0.33041927  0.12500000  1.0
  Mg  Mg4  1  0.66578423  0.33156747  0.62500000  1.0
  Mg  Mg5  1  0.66521014  0.83478986  0.12500000  1.0
  Mg  Mg6  1  0.66578423  0.83421577  0.62500000  1.0
  Mg  Mg7  1  0.33038325  0.16961675  0.38316960  1.0
  Mg  Mg8  1  0.33038325  0.16961675  0.86683040  1.0
  Mg  Mg9  1  0.33038325  0.66076751  0.38316960  1.0
  Mg  Mg10  1  0.33038325  0.66076751  0.86683040  1.0
  Mg  Mg11  1  0.83923249  0.16961675  0.38316960  1.0
  Mg  Mg12  1  0.83923249  0.16961675  0.86683040  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37499900  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87500100  1.0
  Nb  Nb15  1  0.16666700  0.33333300  0.62500000  1.0

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