NaMg14Cu

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026885 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

NaMg14Cu

MP-ID

mp-1026885

Elements

Sites

Density

1.9924

g/cm³

Volume

355.71

Å³

Cell a

6.3726

Cell b

6.3772

Cell c

10.1093

α Angle

90.00

β Angle

90.00

γ Angle

120.02

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

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
8.75	10.1093	8.8	(0,0,0,1)
16.05	5.5215	6.6	(1,-1,0,0)
16.06	5.5175	2.5	(1,0,-1,0)
17.55	5.0547	1.8	(0,0,0,2)
18.31	4.8458	8.7	(1,-1,0,1)
18.32	4.8431	3.4	(1,0,-1,1)
23.87	3.7283	3.2	(1,-1,0,2)
23.87	3.7271	1.5	(1,0,-1,2)
29.37	3.0409	1.0	(1,-2,1,1)
29.39	3.0389	1.9	(2,-1,-1,1)
31.09	2.8764	1.6	(1,-1,0,3)
32.43	2.7607	25.1	(2,-2,0,0)
32.45	2.7588	12.3	(2,0,-2,0)
33.65	2.6632	1.4	(2,-2,0,1)
35.52	2.5273	37.5	(0,0,0,4)
37.11	2.4229	100.0	(2,-2,0,2)
37.13	2.4216	50.3	(2,0,-2,2)
38.90	2.3152	2.1	(2,-1,-1,3)
39.20	2.2980	1.4	(1,-1,0,4)
47.10	1.9293	1.0	(2,-3,1,2)
47.14	1.9280	1.0	(3,-1,-2,2)
47.91	1.8986	1.2	(1,-1,0,5)
48.86	1.8642	7.5	(2,-2,0,4)
48.86	1.8642	7.5	(0,2,-2,4)

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Energy Properties

Formation Energy/atom

0.07342

eV/atom

Energy/atom

-4.47541

eV/atom

Energy above Hull

0.0898

eV/atom

Uncorrected Energy

-1.6895

eV/atom

Volume/atom

22.23

Å³

c/a Ratio

1.5864

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

1.0471

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.453%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1750

smaller = more stable mixing

VEC

2.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.369

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.763

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacglbp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026885

Reference Citation

The crystal structure and related material properties of NaMg14Cu were obtained from the Materials Project database (MP-ID: mp-1026885, 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_NaMg14Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37259986
_cell_length_b   6.37716598
_cell_length_c   10.10932719
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.02371061
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg14Cu
_chemical_formula_sum   'Na1 Mg14 Cu1'
_cell_volume   355.70784331
_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  0.16530272  0.83265086  0.12500000  1.0
  Mg  Mg1  1  0.16703956  0.33351928  0.62500000  1.0
  Mg  Mg2  1  0.16918098  0.83458999  0.62500000  1.0
  Mg  Mg3  1  0.66877539  0.33929666  0.12500000  1.0
  Mg  Mg4  1  0.66506342  0.33068390  0.62500000  1.0
  Mg  Mg5  1  0.66877539  0.82947772  0.12500000  1.0
  Mg  Mg6  1  0.66506342  0.83437852  0.62500000  1.0
  Mg  Mg7  1  0.33085330  0.17273237  0.37136478  1.0
  Mg  Mg8  1  0.33085330  0.17273237  0.87863522  1.0
  Mg  Mg9  1  0.33085330  0.65812193  0.37136478  1.0
  Mg  Mg10  1  0.33085330  0.65812193  0.87863522  1.0
  Mg  Mg11  1  0.84093559  0.17046830  0.36546781  1.0
  Mg  Mg12  1  0.84093559  0.17046830  0.88453219  1.0
  Mg  Mg13  1  0.83088649  0.66544375  0.38149645  1.0
  Mg  Mg14  1  0.83088649  0.66544375  0.86850355  1.0
  Cu  Cu15  1  0.16374174  0.33187037  0.12500000  1.0

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