Mg14FeCo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1027908 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14FeCo

MP-ID

mp-1027908

Elements

Sites

Density

2.3070

g/cm³

Volume

327.53

Å³

Cell a

6.2351

Cell b

6.2351

Cell c

9.7283

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
16.42	5.3998	16.1	(1,0,-1,0)
18.24	4.8641	3.1	(0,0,0,2)
24.63	3.6140	6.5	(1,0,-1,2)
28.63	3.1176	3.3	(2,-1,-1,0)
33.18	2.6999	26.2	(2,0,-2,0)
34.16	2.6247	3.6	(2,-1,-1,2)
36.96	2.4321	24.3	(0,0,0,4)
38.12	2.3606	100.0	(2,0,-2,2)
40.69	2.2175	3.1	(1,0,-1,4)
47.41	1.9176	1.5	(2,-1,-1,4)
48.36	1.8820	3.2	(3,-1,-2,2)
48.36	1.8820	1.6	(1,2,-3,2)
50.51	1.8070	15.1	(2,0,-2,4)
54.35	1.6881	1.2	(3,0,-3,2)
59.28	1.5588	16.7	(4,-2,-2,0)
67.37	1.3900	16.9	(2,0,-2,6)
69.65	1.3499	2.6	(4,0,-4,0)
71.95	1.3124	5.9	(4,-2,-2,4)
71.95	1.3124	11.9	(2,2,-4,4)
72.69	1.3008	8.7	(4,0,-4,2)
72.69	1.3008	4.3	(0,4,-4,2)
78.69	1.2160	2.3	(0,0,0,8)
81.56	1.1803	3.2	(4,0,-4,4)
88.10	1.1088	1.8	(2,0,-2,8)

Get direct link

Energy Properties

Formation Energy/atom

0.16670

eV/atom

Energy/atom

-2.23517

eV/atom

Energy above Hull

0.1736

eV/atom

Uncorrected Energy

-2.2352

eV/atom

Volume/atom

20.47

Å³

c/a Ratio

1.5602

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.6040

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011000

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

0.6996

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.330%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1805

smaller = more stable mixing

VEC

2.813

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.679

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.707

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmoy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1027908

Reference Citation

The crystal structure and related material properties of Mg14FeCo were obtained from the Materials Project database (MP-ID: mp-1027908, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Mg14FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23509809
_cell_length_b   6.23509761
_cell_length_c   9.72825277
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000249
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14FeCo
_chemical_formula_sum   'Mg14 Fe1 Co1'
_cell_volume   327.53070051
_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  0.16842103  0.83421001  0.12500000  1.0
  Mg  Mg1  1  0.16744030  0.83371965  0.62500000  1.0
  Mg  Mg2  1  0.66578999  0.33157897  0.12500000  1.0
  Mg  Mg3  1  0.66628035  0.33255970  0.62500000  1.0
  Mg  Mg4  1  0.66578999  0.83421001  0.12500000  1.0
  Mg  Mg5  1  0.66628035  0.83371965  0.62500000  1.0
  Mg  Mg6  1  0.32345687  0.17654313  0.37696660  1.0
  Mg  Mg7  1  0.32345687  0.17654313  0.87303340  1.0
  Mg  Mg8  1  0.32345687  0.64691474  0.37696660  1.0
  Mg  Mg9  1  0.32345687  0.64691474  0.87303340  1.0
  Mg  Mg10  1  0.85308526  0.17654313  0.37696660  1.0
  Mg  Mg11  1  0.85308526  0.17654313  0.87303340  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37355548  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87644452  1.0
  Fe  Fe14  1  0.16666700  0.33333300  0.12500000  1.0
  Co  Co15  1  0.16666700  0.33333300  0.62500000  1.0

Get direct link