NaMg14Co

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1026875 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

NaMg14Co

MP-ID

mp-1026875

Elements

Sites

Density

2.0045

g/cm³

Volume

349.74

Å³

Cell a

6.3375

Cell b

6.4219

Cell c

9.9675

α Angle

90.00

β Angle

90.00

γ Angle

120.44

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
8.87	9.9675	18.4	(0,0,1)
16.01	5.5366	13.0	(1,-1,0)
16.22	5.4638	4.6	(1,0,0)
17.80	4.9837	2.9	(0,0,2)
18.33	4.8401	14.6	(1,-1,1)
18.52	4.7912	5.6	(1,0,1)
24.03	3.7041	3.6	(1,-1,2)
24.17	3.6821	1.7	(1,0,2)
28.16	3.1684	2.1	(2,-1,0)
29.22	3.0563	1.3	(1,-2,1)
29.58	3.0195	2.4	(2,-1,1)
31.40	2.8489	2.3	(1,-1,3)
32.34	2.7683	48.5	(2,-2,0)
32.78	2.7319	25.6	(2,0,0)
33.19	2.6992	1.1	(1,-2,2)
33.52	2.6738	2.3	(2,-1,2)
33.60	2.6674	1.8	(2,-2,1)
36.04	2.4919	70.5	(0,0,4)
37.15	2.4200	100.0	(2,-2,2)
37.15	2.4200	100.0	(0,2,2)
37.54	2.3956	94.2	(2,0,2)
39.01	2.3089	1.3	(1,-2,3)
39.29	2.2929	3.9	(2,-1,3)
39.66	2.2723	2.4	(1,-1,4)

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Energy Properties

Formation Energy/atom

0.13014

eV/atom

Energy/atom

-4.56790

eV/atom

Energy above Hull

0.1301

eV/atom

Uncorrected Energy

-1.8203

eV/atom

Volume/atom

21.86

Å³

c/a Ratio

1.5728

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0069

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

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

HEA

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

0.4843

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.827%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1709

smaller = more stable mixing

VEC

2.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.489

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

TRA

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.736

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacglbf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026875

Reference Citation

The crystal structure and related material properties of NaMg14Co were obtained from the Materials Project database (MP-ID: mp-1026875, 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_NaMg14Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33747334
_cell_length_b   6.42192140
_cell_length_c   9.96747495
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.44178689
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg14Co
_chemical_formula_sum   'Na1 Mg14 Co1'
_cell_volume   349.74078916
_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  0.16523401  0.83261650  0.12500000  1.0
  Mg  Mg1  1  0.16730399  0.33365149  0.62500000  1.0
  Mg  Mg2  1  0.17095401  0.83547650  0.62500000  1.0
  Mg  Mg3  1  0.66753324  0.33776534  0.12500000  1.0
  Mg  Mg4  1  0.66532024  0.33014908  0.62500000  1.0
  Mg  Mg5  1  0.66753324  0.82976690  0.12500000  1.0
  Mg  Mg6  1  0.66532024  0.83517016  0.62500000  1.0
  Mg  Mg7  1  0.32619313  0.17579770  0.36491616  1.0
  Mg  Mg8  1  0.32619313  0.17579770  0.88508384  1.0
  Mg  Mg9  1  0.32619313  0.65039643  0.36491616  1.0
  Mg  Mg10  1  0.32619313  0.65039643  0.88508384  1.0
  Mg  Mg11  1  0.84659425  0.17329762  0.36064893  1.0
  Mg  Mg12  1  0.84659425  0.17329762  0.88935107  1.0
  Mg  Mg13  1  0.83014648  0.66507374  0.38227392  1.0
  Mg  Mg14  1  0.83014648  0.66507374  0.86772608  1.0
  Co  Co15  1  0.17254706  0.33627303  0.12500000  1.0

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