NaMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026656 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

NaMg14Cr

MP-ID

mp-1026656

Elements

Sites

Density

1.8972

g/cm³

Volume

363.45

Å³

Cell a

6.4093

Cell b

6.4093

Cell c

10.2165

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 20)

2θ	d (Å)	I	hkl
8.66	10.2165	4.7	(0,0,0,1)
15.97	5.5506	2.2	(1,0,-1,0)
18.19	4.8773	4.3	(1,0,-1,1)
23.67	3.7587	1.6	(1,0,-1,2)
32.26	2.7753	24.5	(2,0,-2,0)
35.14	2.5541	25.3	(0,0,0,4)
36.86	2.4386	100.0	(2,0,-2,2)
48.43	1.8794	9.9	(2,0,-2,4)
48.43	1.8794	4.9	(0,2,-2,4)
57.52	1.6023	5.7	(4,-2,-2,0)
57.52	1.6023	11.4	(2,2,-4,0)
64.17	1.4514	17.6	(2,0,-2,6)
67.50	1.3877	1.7	(4,0,-4,0)
69.22	1.3573	18.6	(4,-2,-2,4)
70.30	1.3391	8.9	(4,0,-4,2)
70.30	1.3391	4.5	(0,4,-4,2)
74.27	1.2771	2.4	(0,0,0,8)
78.43	1.2193	2.1	(4,0,-4,4)
78.43	1.2193	1.1	(0,4,-4,4)
83.29	1.1601	1.7	(2,0,-2,8)

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Energy Properties

Formation Energy/atom

0.13350

eV/atom

Energy/atom

-1.98033

eV/atom

Energy above Hull

0.1335

eV/atom

Uncorrected Energy

-1.9803

eV/atom

Volume/atom

22.72

Å³

c/a Ratio

1.5940

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.0983

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011280

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

1.3589

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.453%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1291

smaller = more stable mixing

VEC

2.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.742

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)

aaacgksu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026656

Reference Citation

The crystal structure and related material properties of NaMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026656, 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_NaMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40927411
_cell_length_b   6.40927358
_cell_length_c   10.21649641
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg14Cr
_chemical_formula_sum   'Na1 Mg14 Cr1'
_cell_volume   363.45467741
_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  0.16872031  0.83435965  0.12500000  1.0
  Mg  Mg2  1  0.16803178  0.83401539  0.62500000  1.0
  Mg  Mg3  1  0.66564035  0.33127969  0.12500000  1.0
  Mg  Mg4  1  0.66598461  0.33196822  0.62500000  1.0
  Mg  Mg5  1  0.66564035  0.83435965  0.12500000  1.0
  Mg  Mg6  1  0.66598461  0.83401539  0.62500000  1.0
  Mg  Mg7  1  0.33264070  0.16735930  0.38125344  1.0
  Mg  Mg8  1  0.33264070  0.16735930  0.86874656  1.0
  Mg  Mg9  1  0.33264070  0.66528240  0.38125344  1.0
  Mg  Mg10  1  0.33264070  0.66528240  0.86874656  1.0
  Mg  Mg11  1  0.83471760  0.16735930  0.38125344  1.0
  Mg  Mg12  1  0.83471760  0.16735930  0.86874656  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37245696  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87754304  1.0
  Cr  Cr15  1  0.16666700  0.33333300  0.62500000  1.0

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