Mg14AlCo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028342 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14AlCo

MP-ID

mp-1028342

Elements

Sites

Density

2.1261

g/cm³

Volume

332.87

Å³

Cell a

6.2280

Cell b

6.2199

Cell c

9.9179

α Angle

90.00

β Angle

90.00

γ Angle

119.96

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
8.92	9.9179	31.5	(0,0,0,1)
16.43	5.3960	6.4	(1,0,-1,0)
16.45	5.3889	4.3	(1,-1,0,0)
16.45	5.3889	4.3	(0,1,-1,0)
17.89	4.9589	4.0	(0,0,0,2)
18.72	4.7399	8.1	(1,0,-1,1)
18.74	4.7351	11.3	(1,-1,0,1)
24.38	3.6512	2.2	(1,0,-1,2)
24.39	3.6491	4.0	(1,-1,0,2)
28.67	3.1140	1.9	(2,-1,-1,0)
28.71	3.1099	1.1	(1,-2,1,0)
30.08	2.9710	2.5	(2,-1,-1,1)
31.74	2.8190	1.8	(1,0,-1,3)
31.75	2.8180	2.0	(1,-1,0,3)
33.21	2.6980	25.6	(2,0,-2,0)
33.25	2.6945	49.6	(2,-2,0,0)
33.99	2.6372	1.1	(2,-1,-1,2)
33.99	2.6372	1.1	(1,1,-2,2)
34.03	2.6347	1.1	(1,-2,1,2)
34.49	2.6002	1.8	(2,-2,0,1)
36.23	2.4795	72.7	(0,0,0,4)
37.97	2.3699	98.7	(2,0,-2,2)
38.01	2.3675	100.0	(2,-2,0,2)
38.01	2.3675	100.0	(0,2,-2,2)

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Energy Properties

Formation Energy/atom

0.09300

eV/atom

Energy/atom

-2.01360

eV/atom

Energy above Hull

0.1679

eV/atom

Uncorrected Energy

-2.0136

eV/atom

Volume/atom

20.80

Å³

c/a Ratio

1.5925

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0167

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

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

0.751

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnfq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028342

Reference Citation

The crystal structure and related material properties of Mg14AlCo were obtained from the Materials Project database (MP-ID: mp-1028342, 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_Mg14AlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22803129
_cell_length_b   6.21988648
_cell_length_c   9.91786516
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.95675394
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14AlCo
_chemical_formula_sum   'Mg14 Al1 Co1'
_cell_volume   332.86732490
_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  0.17137552  0.33568726  0.62500000  1.0
  Mg  Mg1  1  0.16754756  0.83377328  0.62500000  1.0
  Mg  Mg2  1  0.67941068  0.33766928  0.12500000  1.0
  Mg  Mg3  1  0.66385735  0.33451897  0.62500000  1.0
  Mg  Mg4  1  0.67941068  0.84174040  0.12500000  1.0
  Mg  Mg5  1  0.66385735  0.82933738  0.62500000  1.0
  Mg  Mg6  1  0.32511256  0.15592707  0.35514674  1.0
  Mg  Mg7  1  0.32511256  0.15592707  0.89485326  1.0
  Mg  Mg8  1  0.32511256  0.66918648  0.35514674  1.0
  Mg  Mg9  1  0.32511256  0.66918648  0.89485326  1.0
  Mg  Mg10  1  0.83525266  0.16762683  0.37662820  1.0
  Mg  Mg11  1  0.83525266  0.16762683  0.87337180  1.0
  Mg  Mg12  1  0.84361717  0.67180908  0.36483019  1.0
  Mg  Mg13  1  0.84361717  0.67180908  0.88516981  1.0
  Al  Al14  1  0.15520356  0.32760128  0.12500000  1.0
  Co  Co15  1  0.16114743  0.83057321  0.12500000  1.0

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