NaMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026680 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

NaMg14Cr

MP-ID

mp-1026680

Elements

Sites

Density

1.9022

g/cm³

Volume

362.49

Å³

Cell a

6.3762

Cell b

6.4117

Cell c

10.2577

α Angle

90.00

β Angle

90.00

γ Angle

120.18

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
8.62	10.2577	7.4	(0,0,1)
15.99	5.5423	6.7	(1,-1,0)
16.08	5.5116	2.2	(1,0,0)
17.29	5.1288	1.7	(0,0,2)
18.19	4.8761	8.6	(1,-1,1)
18.27	4.8551	3.1	(1,0,1)
23.64	3.7643	3.2	(1,-1,2)
23.70	3.7547	1.5	(1,0,2)
27.99	3.1880	1.3	(2,-1,0)
30.72	2.9100	1.6	(1,-1,3)
32.30	2.7712	48.8	(2,-2,0)
32.49	2.7558	24.1	(2,0,0)
33.09	2.7076	1.6	(2,-1,2)
33.50	2.6753	1.3	(2,-2,1)
34.99	2.5644	77.1	(0,0,4)
36.87	2.4381	100.0	(2,-2,2)
36.87	2.4381	100.0	(0,2,2)
37.03	2.4276	98.6	(2,0,2)
38.69	2.3274	1.3	(1,-1,4)
48.36	1.8822	29.8	(2,-2,4)
48.49	1.8773	14.8	(2,0,4)
57.49	1.6029	17.0	(2,-4,0)
57.85	1.5940	16.7	(4,-2,0)
57.85	1.5940	16.7	(2,2,0)

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Energy Properties

Formation Energy/atom

0.13688

eV/atom

Energy/atom

-1.97695

eV/atom

Energy above Hull

0.1369

eV/atom

Uncorrected Energy

-1.9770

eV/atom

Volume/atom

22.66

Å³

c/a Ratio

1.6088

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.8442

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.010600

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

0.731

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkts

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026680

Reference Citation

The crystal structure and related material properties of NaMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026680, 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_NaMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37615542
_cell_length_b   6.41169348
_cell_length_c   10.25765607
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.18455006
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg14Cr
_chemical_formula_sum   'Na1 Mg14 Cr1'
_cell_volume   362.49312071
_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  0.16677725  0.33338813  0.12500000  1.0
  Mg  Mg1  1  0.16773065  0.33386483  0.62500000  1.0
  Mg  Mg2  1  0.16714974  0.83357437  0.62500000  1.0
  Mg  Mg3  1  0.66586013  0.33296984  0.12500000  1.0
  Mg  Mg4  1  0.66636665  0.33354333  0.62500000  1.0
  Mg  Mg5  1  0.66586013  0.83288929  0.12500000  1.0
  Mg  Mg6  1  0.66636665  0.83282233  0.62500000  1.0
  Mg  Mg7  1  0.33205020  0.16116474  0.37465399  1.0
  Mg  Mg8  1  0.33205020  0.16116474  0.87534601  1.0
  Mg  Mg9  1  0.33205020  0.67088646  0.37465399  1.0
  Mg  Mg10  1  0.33205020  0.67088646  0.87534601  1.0
  Mg  Mg11  1  0.83111447  0.16555773  0.37949988  1.0
  Mg  Mg12  1  0.83111447  0.16555773  0.87050012  1.0
  Mg  Mg13  1  0.83804638  0.66902369  0.37082270  1.0
  Mg  Mg14  1  0.83804638  0.66902369  0.87917730  1.0
  Cr  Cr15  1  0.16736629  0.83368264  0.12500000  1.0

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