Mg14CrCo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028407 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14CrCo

MP-ID

mp-1028407

Elements

Sites

Density

2.1729

g/cm³

Volume

344.81

Å³

Cell a

6.3029

Cell b

6.3029

Cell c

10.0222

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
16.24	5.4585	20.2	(1,0,-1,0)
17.70	5.0111	4.3	(0,0,0,2)
24.11	3.6914	9.2	(1,0,-1,2)
28.32	3.1515	4.2	(2,-1,-1,0)
32.82	2.7292	25.7	(2,0,-2,0)
32.82	2.7292	12.8	(0,2,-2,0)
33.59	2.6678	4.9	(2,-1,-1,2)
35.84	2.5056	37.7	(0,0,0,4)
37.52	2.3968	100.0	(2,0,-2,2)
37.52	2.3968	50.0	(0,2,-2,2)
39.58	2.2771	4.0	(1,0,-1,4)
43.88	2.0631	1.2	(3,-1,-2,0)
46.29	1.9612	2.0	(2,-1,-1,4)
47.67	1.9078	5.7	(3,-1,-2,2)
49.38	1.8457	22.9	(2,0,-2,4)
58.58	1.5757	8.3	(4,-2,-2,0)
58.58	1.5757	16.7	(2,2,-4,0)
64.28	1.4492	1.0	(4,-1,-3,2)
65.52	1.4247	25.9	(2,0,-2,6)
68.80	1.3646	2.6	(4,0,-4,0)
68.80	1.3646	1.3	(0,4,-4,0)
70.61	1.3339	27.0	(4,-2,-2,4)
71.68	1.3167	13.0	(4,0,-4,2)
71.68	1.3167	6.5	(0,4,-4,2)

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Energy Properties

Formation Energy/atom

0.17349

eV/atom

Energy/atom

-2.30232

eV/atom

Energy above Hull

0.1741

eV/atom

Uncorrected Energy

-2.3023

eV/atom

Volume/atom

21.55

Å³

c/a Ratio

1.5901

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.8961

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011300

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

0.4591

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.119%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1570

smaller = more stable mixing

VEC

2.688

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.849

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.746

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnid

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028407

Reference Citation

The crystal structure and related material properties of Mg14CrCo were obtained from the Materials Project database (MP-ID: mp-1028407, 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_Mg14CrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30291253
_cell_length_b   6.30291204
_cell_length_c   10.02218131
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000262
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CrCo
_chemical_formula_sum   'Mg14 Cr1 Co1'
_cell_volume   344.80646650
_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  0.16556735  0.83278317  0.12500000  1.0
  Mg  Mg1  1  0.16915144  0.83457522  0.62500000  1.0
  Mg  Mg2  1  0.66721683  0.33443265  0.12500000  1.0
  Mg  Mg3  1  0.66542478  0.33084856  0.62500000  1.0
  Mg  Mg4  1  0.66721683  0.83278317  0.12500000  1.0
  Mg  Mg5  1  0.66542478  0.83457522  0.62500000  1.0
  Mg  Mg6  1  0.32543813  0.17456187  0.36748445  1.0
  Mg  Mg7  1  0.32543813  0.17456187  0.88251555  1.0
  Mg  Mg8  1  0.32543813  0.65087727  0.36748445  1.0
  Mg  Mg9  1  0.32543813  0.65087727  0.88251555  1.0
  Mg  Mg10  1  0.84912273  0.17456187  0.36748445  1.0
  Mg  Mg11  1  0.84912273  0.17456187  0.88251555  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37745109  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87254891  1.0
  Cr  Cr14  1  0.16666700  0.33333300  0.62500000  1.0
  Co  Co15  1  0.16666700  0.33333300  0.12500000  1.0

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