Mg14MnCo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028148 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14MnCo

MP-ID

mp-1028148

Elements

Sites

Density

2.2776

g/cm³

Volume

331.10

Å³

Cell a

6.2303

Cell b

6.2303

Cell c

9.8497

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
16.43	5.3956	14.2	(1,0,-1,0)
18.01	4.9248	3.0	(0,0,0,2)
24.47	3.6374	6.5	(1,0,-1,2)
28.66	3.1151	2.0	(1,1,-2,0)
33.21	2.6978	25.9	(2,0,-2,0)
34.05	2.6327	3.4	(2,-1,-1,2)
36.49	2.4624	24.8	(0,0,0,4)
38.03	2.3660	100.0	(2,0,-2,2)
40.26	2.2402	2.8	(1,0,-1,4)
47.04	1.9318	1.4	(2,-1,-1,4)
48.30	1.8842	4.0	(3,-1,-2,2)
50.16	1.8187	15.2	(2,0,-2,4)
54.30	1.6894	1.0	(3,0,-3,2)
59.33	1.5576	5.5	(4,-2,-2,0)
59.33	1.5576	11.1	(2,2,-4,0)
66.70	1.4024	17.0	(2,0,-2,6)
69.71	1.3489	2.6	(4,0,-4,0)
71.70	1.3163	6.0	(4,-2,-2,4)
71.70	1.3163	11.9	(2,2,-4,4)
72.68	1.3010	13.0	(4,0,-4,2)
77.53	1.2312	2.3	(0,0,0,8)
81.33	1.1830	2.2	(4,0,-4,4)
81.33	1.1830	1.1	(0,4,-4,4)
86.99	1.1201	2.7	(2,0,-2,8)

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Energy Properties

Formation Energy/atom

0.14530

eV/atom

Energy/atom

-2.29982

eV/atom

Energy above Hull

0.1470

eV/atom

Uncorrected Energy

-2.2998

eV/atom

Volume/atom

20.69

Å³

c/a Ratio

1.5809

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.0876

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.015370

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

0.9778

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.223%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1461

smaller = more stable mixing

VEC

2.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.992

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.765

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmye

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028148

Reference Citation

The crystal structure and related material properties of Mg14MnCo were obtained from the Materials Project database (MP-ID: mp-1028148, 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_Mg14MnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23025365
_cell_length_b   6.23025316
_cell_length_c   9.84968406
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14MnCo
_chemical_formula_sum   'Mg14 Mn1 Co1'
_cell_volume   331.10393579
_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  0.17041981  0.83520941  0.12500000  1.0
  Mg  Mg1  1  0.16476575  0.83238237  0.62500000  1.0
  Mg  Mg2  1  0.66479059  0.32958019  0.12500000  1.0
  Mg  Mg3  1  0.66761763  0.33523425  0.62500000  1.0
  Mg  Mg4  1  0.66479059  0.83520941  0.12500000  1.0
  Mg  Mg5  1  0.66761763  0.83238237  0.62500000  1.0
  Mg  Mg6  1  0.32547671  0.17452329  0.38214379  1.0
  Mg  Mg7  1  0.32547671  0.17452329  0.86785621  1.0
  Mg  Mg8  1  0.32547671  0.65095441  0.38214379  1.0
  Mg  Mg9  1  0.32547671  0.65095441  0.86785621  1.0
  Mg  Mg10  1  0.84904559  0.17452329  0.38214379  1.0
  Mg  Mg11  1  0.84904559  0.17452329  0.86785621  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37276945  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87723055  1.0
  Mn  Mn14  1  0.16666700  0.33333300  0.12500000  1.0
  Co  Co15  1  0.16666700  0.33333300  0.62500000  1.0

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