Mg14MnCo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028245 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14MnCo

MP-ID

mp-1028245

Elements

Sites

Density

2.3216

g/cm³

Volume

324.83

Å³

Cell a

6.1999

Cell b

6.1891

Cell c

9.7692

α Angle

90.00

β Angle

90.00

γ Angle

119.94

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
9.05	9.7692	74.8	(0,0,1)
16.50	5.3724	17.4	(1,0,0)
18.16	4.8846	10.8	(0,0,2)
18.85	4.7075	20.8	(1,0,1)
24.63	3.6141	6.2	(1,0,2)
28.85	3.0945	2.9	(1,-2,0)
30.30	2.9501	3.4	(1,-2,1)
32.14	2.7848	3.9	(1,0,3)
33.36	2.6862	25.4	(2,0,0)
33.42	2.6815	53.5	(2,-2,0)
34.30	2.6141	3.1	(1,-2,2)
34.63	2.5901	2.5	(2,0,1)
34.69	2.5859	5.5	(2,-2,1)
36.80	2.4423	69.0	(0,0,4)
38.24	2.3538	100.0	(2,0,2)
38.29	2.3506	99.3	(2,-2,2)
38.29	2.3506	99.3	(0,2,2)
40.20	2.2432	5.3	(1,-2,3)
40.58	2.2233	3.0	(1,0,4)
43.68	2.0722	5.0	(2,0,3)
43.73	2.0700	9.9	(2,-2,3)
45.68	1.9862	4.7	(3,-2,1)
46.48	1.9538	4.6	(0,0,5)
47.42	1.9172	2.3	(1,-2,4)

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Energy Properties

Formation Energy/atom

0.20589

eV/atom

Energy/atom

-2.23924

eV/atom

Energy above Hull

0.2076

eV/atom

Uncorrected Energy

-2.2392

eV/atom

Volume/atom

20.30

Å³

c/a Ratio

1.5757

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.6810

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002100

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

0.724

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnbx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028245

Reference Citation

The crystal structure and related material properties of Mg14MnCo were obtained from the Materials Project database (MP-ID: mp-1028245, 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   6.19987388
_cell_length_b   6.18908144
_cell_length_c   9.76922027
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.94243818
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14MnCo
_chemical_formula_sum   'Mg14 Mn1 Co1'
_cell_volume   324.82630947
_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  0.17126917  0.33563409  0.62500000  1.0
  Mg  Mg1  1  0.17056905  0.83528402  0.62500000  1.0
  Mg  Mg2  1  0.68178204  0.33874837  0.12500000  1.0
  Mg  Mg3  1  0.66346208  0.33204855  0.62500000  1.0
  Mg  Mg4  1  0.68178204  0.84303267  0.12500000  1.0
  Mg  Mg5  1  0.66346208  0.83141253  0.62500000  1.0
  Mg  Mg6  1  0.32047704  0.16016767  0.34873353  1.0
  Mg  Mg7  1  0.32047704  0.16016767  0.90126647  1.0
  Mg  Mg8  1  0.32047704  0.66031037  0.34873353  1.0
  Mg  Mg9  1  0.32047704  0.66031037  0.90126647  1.0
  Mg  Mg10  1  0.84401438  0.17200769  0.36907301  1.0
  Mg  Mg11  1  0.84401438  0.17200769  0.88092699  1.0
  Mg  Mg12  1  0.84461394  0.67230747  0.36605973  1.0
  Mg  Mg13  1  0.84461394  0.67230747  0.88394027  1.0
  Mn  Mn14  1  0.15363808  0.32681854  0.12500000  1.0
  Co  Co15  1  0.15487068  0.82743484  0.12500000  1.0

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