NaMg14Cd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026646 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

NaMg14Cd

MP-ID

mp-1026646

Elements

Sites

Density

2.1388

g/cm³

Volume

369.30

Å³

Cell a

6.4206

Cell b

6.4206

Cell c

10.3442

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
8.55	10.3442	23.0	(0,0,0,1)
15.94	5.5604	15.1	(1,0,-1,0)
17.14	5.1721	4.4	(0,0,0,2)
18.11	4.8977	25.9	(1,0,-1,1)
23.49	3.7871	13.2	(1,0,-1,2)
25.84	3.4481	1.4	(0,0,0,3)
27.79	3.2103	4.3	(2,-1,-1,0)
29.13	3.0661	2.6	(2,-1,-1,1)
29.13	3.0661	5.1	(1,1,-2,1)
30.51	2.9304	6.7	(1,0,-1,3)
32.20	2.7802	26.0	(2,0,-2,0)
32.84	2.7276	5.5	(2,-1,-1,2)
33.37	2.6849	5.4	(2,0,-2,1)
34.69	2.5860	25.7	(0,0,0,4)
36.70	2.4488	100.0	(2,0,-2,2)
38.31	2.3496	4.4	(2,-1,-1,3)
38.39	2.3449	3.5	(1,0,-1,4)
41.73	2.1643	3.4	(2,0,-2,3)
43.04	2.1016	2.7	(3,-1,-2,0)
43.96	2.0596	5.3	(3,-1,-2,1)
45.01	2.0139	2.3	(2,-1,-1,4)
46.65	1.9470	3.8	(3,-1,-2,2)
46.86	1.9390	2.4	(1,0,-1,5)
48.05	1.8935	10.8	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

0.04314

eV/atom

Energy/atom

-1.52738

eV/atom

Energy above Hull

0.0559

eV/atom

Uncorrected Energy

-1.5274

eV/atom

Volume/atom

23.08

Å³

c/a Ratio

1.6111

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

0.6446

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.219%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1344

smaller = more stable mixing

VEC

2.563

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.188

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.745

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgksk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026646

Reference Citation

The crystal structure and related material properties of NaMg14Cd were obtained from the Materials Project database (MP-ID: mp-1026646, 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_NaMg14Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42061686
_cell_length_b   6.42061633
_cell_length_c   10.34416088
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000272
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg14Cd
_chemical_formula_sum   'Na1 Mg14 Cd1'
_cell_volume   369.30004475
_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  0.16802087  0.83400994  0.12500000  1.0
  Mg  Mg2  1  0.16513396  0.83256648  0.62500000  1.0
  Mg  Mg3  1  0.66599006  0.33197913  0.12500000  1.0
  Mg  Mg4  1  0.66743352  0.33486604  0.62500000  1.0
  Mg  Mg5  1  0.66599006  0.83400994  0.12500000  1.0
  Mg  Mg6  1  0.66743352  0.83256648  0.62500000  1.0
  Mg  Mg7  1  0.33424038  0.16575962  0.37918313  1.0
  Mg  Mg8  1  0.33424038  0.16575962  0.87081687  1.0
  Mg  Mg9  1  0.33424038  0.66848175  0.37918313  1.0
  Mg  Mg10  1  0.33424038  0.66848175  0.87081687  1.0
  Mg  Mg11  1  0.83151825  0.16575962  0.37918313  1.0
  Mg  Mg12  1  0.83151825  0.16575962  0.87081687  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37291838  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87708162  1.0
  Cd  Cd15  1  0.16666700  0.33333300  0.62500000  1.0

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