Mg14AlCo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028266 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14AlCo

MP-ID

mp-1028266

Elements

Sites

Density

2.1167

g/cm³

Volume

334.34

Å³

Cell a

6.2632

Cell b

6.2632

Cell c

9.8416

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
8.99	9.8416	9.7	(0,0,0,1)
16.34	5.4241	9.8	(1,0,-1,0)
18.03	4.9208	1.7	(0,0,0,2)
18.68	4.7504	8.5	(1,0,-1,1)
24.42	3.6445	1.9	(1,0,-1,2)
28.50	3.1316	1.7	(2,-1,-1,0)
29.94	2.9842	1.9	(2,-1,-1,1)
31.88	2.8071	1.4	(1,0,-1,3)
33.03	2.7121	25.2	(2,0,-2,0)
33.03	2.7121	12.6	(0,2,-2,0)
33.93	2.6420	1.2	(1,1,-2,2)
36.52	2.4604	36.5	(0,0,0,4)
37.88	2.3752	100.0	(2,0,-2,2)
37.88	2.3752	50.0	(0,2,-2,2)
39.79	2.2652	1.9	(2,-1,-1,3)
40.25	2.2407	1.8	(1,0,-1,4)
43.29	2.0903	2.0	(2,0,-2,3)
45.18	2.0070	1.6	(3,-1,-2,1)
48.08	1.8925	3.2	(3,-1,-2,2)
49.25	1.8503	1.1	(1,0,-1,5)
50.06	1.8223	21.9	(2,0,-2,4)
58.99	1.5658	25.5	(4,-2,-2,0)
66.63	1.4035	25.0	(2,0,-2,6)
69.29	1.3560	2.6	(4,0,-4,0)

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Energy Properties

Formation Energy/atom

0.09155

eV/atom

Energy/atom

-2.01505

eV/atom

Energy above Hull

0.1664

eV/atom

Uncorrected Energy

-2.0151

eV/atom

Volume/atom

20.90

Å³

c/a Ratio

1.5713

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0198

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000060

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

0.4617

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.849%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1516

smaller = more stable mixing

VEC

2.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.148

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.752

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgncs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028266

Reference Citation

The crystal structure and related material properties of Mg14AlCo were obtained from the Materials Project database (MP-ID: mp-1028266, 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_Mg14AlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26322115
_cell_length_b   6.26322066
_cell_length_c   9.84164182
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000263
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14AlCo
_chemical_formula_sum   'Mg14 Al1 Co1'
_cell_volume   334.34407763
_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
  Mg  Mg0  1  0.16815026  0.83407463  0.12500000  1.0
  Mg  Mg1  1  0.16289966  0.83144933  0.62500000  1.0
  Mg  Mg2  1  0.66592537  0.33184974  0.12500000  1.0
  Mg  Mg3  1  0.66855067  0.33710034  0.62500000  1.0
  Mg  Mg4  1  0.66592537  0.83407463  0.12500000  1.0
  Mg  Mg5  1  0.66855067  0.83144933  0.62500000  1.0
  Mg  Mg6  1  0.32505015  0.17494985  0.38539404  1.0
  Mg  Mg7  1  0.32505015  0.17494985  0.86460596  1.0
  Mg  Mg8  1  0.32505015  0.65010130  0.38539404  1.0
  Mg  Mg9  1  0.32505015  0.65010130  0.86460596  1.0
  Mg  Mg10  1  0.84989870  0.17494985  0.38539404  1.0
  Mg  Mg11  1  0.84989870  0.17494985  0.86460596  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37281034  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87718966  1.0
  Al  Al14  1  0.16666700  0.33333300  0.12500000  1.0
  Co  Co15  1  0.16666700  0.33333300  0.62500000  1.0

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