NaSrMg14

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026674 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

NaSrMg14

MP-ID

mp-1026674

Elements

Sites

Density

1.8495

g/cm³

Volume

404.81

Å³

Cell a

6.6669

Cell b

6.6669

Cell c

10.5166

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
8.41	10.5166	14.9	(0,0,0,1)
15.35	5.7737	10.2	(1,0,-1,0)
16.86	5.2583	3.4	(0,0,0,2)
17.52	5.0611	13.4	(1,0,-1,1)
17.52	5.0611	6.7	(0,1,-1,1)
22.88	3.8877	12.1	(1,0,-1,2)
25.41	3.5055	2.1	(0,0,0,3)
26.74	3.3335	3.6	(2,-1,-1,0)
28.08	3.1776	7.3	(2,-1,-1,1)
29.82	2.9965	6.5	(1,0,-1,3)
30.98	2.8869	38.0	(2,0,-2,0)
31.78	2.8154	4.4	(2,-1,-1,2)
32.15	2.7839	3.4	(2,0,-2,1)
32.15	2.7839	1.7	(0,2,-2,1)
34.10	2.6292	36.9	(0,0,0,4)
35.47	2.5306	100.0	(2,0,-2,2)
35.47	2.5306	50.0	(0,2,-2,2)
37.22	2.4157	2.5	(2,-1,-1,3)
37.59	2.3928	2.4	(1,0,-1,4)
40.48	2.2285	1.4	(2,0,-2,3)
41.37	2.1823	2.1	(3,-1,-2,0)
41.37	2.1823	1.0	(1,2,-3,0)
42.30	2.1367	4.2	(3,-1,-2,1)
43.86	2.0643	1.9	(2,-1,-1,4)

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Energy Properties

Formation Energy/atom

0.07433

eV/atom

Energy/atom

-4.74318

eV/atom

Energy above Hull

0.0978

eV/atom

Uncorrected Energy

-1.5272

eV/atom

Volume/atom

25.30

Å³

c/a Ratio

1.5774

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

4.8942

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.818%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1224

smaller = more stable mixing

VEC

1.938

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.706

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.717

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgktm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026674

Reference Citation

The crystal structure and related material properties of NaSrMg14 were obtained from the Materials Project database (MP-ID: mp-1026674, 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_NaSrMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66689818
_cell_length_b   6.66689759
_cell_length_c   10.51662033
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000291
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrMg14
_chemical_formula_sum   'Na1 Sr1 Mg14'
_cell_volume   404.81297209
_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
  Sr  Sr1  1  0.16666700  0.33333300  0.62500000  1.0
  Mg  Mg2  1  0.16899226  0.83449563  0.12500000  1.0
  Mg  Mg3  1  0.17352098  0.83675999  0.62500000  1.0
  Mg  Mg4  1  0.66550437  0.33100774  0.12500000  1.0
  Mg  Mg5  1  0.66324001  0.32647902  0.62500000  1.0
  Mg  Mg6  1  0.66550437  0.83449563  0.12500000  1.0
  Mg  Mg7  1  0.66324001  0.83675999  0.62500000  1.0
  Mg  Mg8  1  0.33841405  0.16158595  0.36963233  1.0
  Mg  Mg9  1  0.33841405  0.16158595  0.88036767  1.0
  Mg  Mg10  1  0.33841405  0.67682910  0.36963233  1.0
  Mg  Mg11  1  0.33841405  0.67682910  0.88036767  1.0
  Mg  Mg12  1  0.82317090  0.16158595  0.36963233  1.0
  Mg  Mg13  1  0.82317090  0.16158595  0.88036767  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.37764910  1.0
  Mg  Mg15  1  0.83333300  0.66666700  0.87235090  1.0

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