Mg14CoC

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028405 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14CoC

MP-ID

mp-1028405

Elements

Sites

Density

2.0590

g/cm³

Volume

331.64

Å³

Cell a

6.2640

Cell b

6.2640

Cell c

8.7299

α Angle

90.00

β Angle

90.00

γ Angle

104.50

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
10.13	8.7299	36.4	(0,0,1)
14.61	6.0646	13.7	(1,0,0)
17.81	4.9807	11.8	(1,0,1)
17.91	4.9527	2.8	(1,-1,0)
20.35	4.3649	6.4	(0,0,2)
20.62	4.3078	8.6	(1,-1,1)
23.19	3.8351	3.9	(1,1,0)
25.14	3.5427	4.1	(1,0,2)
29.45	3.0328	2.5	(2,-1,0)
29.46	3.0323	3.3	(2,0,0)
30.73	2.9100	4.3	(0,0,3)
31.23	2.8644	2.8	(2,0,1)
34.18	2.6236	16.6	(1,0,3)
35.79	2.5089	2.8	(1,-1,3)
36.06	2.4906	41.7	(2,-1,2)
36.07	2.4904	100.0	(2,0,2)
36.28	2.4764	18.4	(2,-2,0)
36.29	2.4756	20.2	(2,1,0)
37.76	2.3824	13.8	(2,-2,1)
37.77	2.3817	15.0	(2,1,1)
38.85	2.3182	2.6	(1,1,3)
41.37	2.1825	13.1	(0,0,4)
41.95	2.1539	3.8	(2,-2,2)
43.08	2.0997	5.9	(2,-1,3)

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Energy Properties

Formation Energy/atom

0.20222

eV/atom

Energy/atom

-4.89476

eV/atom

Energy above Hull

0.2022

eV/atom

Uncorrected Energy

-2.2263

eV/atom

Volume/atom

20.73

Å³

c/a Ratio

1.3937

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.6186

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001870

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

0.063

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

0.2958

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.941%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3219

smaller = more stable mixing

VEC

2.563

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-15.070

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.728

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaadywaw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028405

Reference Citation

The crystal structure and related material properties of Mg14CoC were obtained from the Materials Project database (MP-ID: mp-1028405, 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_Mg14CoC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26402465
_cell_length_b   6.26402465
_cell_length_c   8.72984600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.49539895
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CoC
_chemical_formula_sum   'Mg14 Co1 C1'
_cell_volume   331.63786334
_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  0.86349000  0.13651000  0.00000000  1.0
  Mg  Mg1  1  0.32187600  0.67812400  0.00000000  1.0
  Mg  Mg2  1  0.34396300  0.05300100  0.50000000  1.0
  Mg  Mg3  1  0.39102400  0.20261600  0.00000000  1.0
  Mg  Mg4  1  0.94699900  0.65603700  0.50000000  1.0
  Mg  Mg5  1  0.79738400  0.60897600  0.00000000  1.0
  Mg  Mg6  1  0.20078900  0.41384900  0.32548900  1.0
  Mg  Mg7  1  0.20078900  0.41384900  0.67451100  1.0
  Mg  Mg8  1  0.58615100  0.79921100  0.32548900  1.0
  Mg  Mg9  1  0.58615100  0.79921100  0.67451100  1.0
  Mg  Mg10  1  0.69609000  0.30391000  0.28991400  1.0
  Mg  Mg11  1  0.69609000  0.30391000  0.71008600  1.0
  Mg  Mg12  1  0.07869800  0.92130200  0.23588900  1.0
  Mg  Mg13  1  0.07869800  0.92130200  0.76411100  1.0
  Co  Co14  1  0.90118800  0.09881200  0.50000000  1.0
  C  C15  1  0.31062800  0.68937200  0.50000000  1.0

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