Mg14FeC

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028387 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14FeC

MP-ID

mp-1028387

Elements

Sites

Density

2.0424

g/cm³

Volume

331.82

Å³

Cell a

6.2623

Cell b

6.2623

Cell c

8.7436

α Angle

90.00

β Angle

90.00

γ Angle

104.60

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
10.12	8.7436	31.0	(0,0,1)
14.62	6.0602	11.2	(1,0,0)
17.81	4.9808	9.7	(1,0,1)
17.90	4.9548	2.3	(1,-1,0)
20.31	4.3718	5.2	(0,0,2)
20.60	4.3108	8.0	(1,-1,1)
23.23	3.8297	3.5	(1,1,0)
25.12	3.5455	3.7	(1,0,2)
29.45	3.0332	2.3	(2,-1,0)
29.48	3.0301	3.3	(2,0,0)
30.68	2.9145	4.1	(0,0,3)
31.24	2.8630	2.6	(2,0,1)
34.14	2.6266	15.5	(1,0,3)
35.74	2.5122	2.8	(1,-1,3)
36.04	2.4921	40.2	(2,-1,2)
36.07	2.4904	100.0	(2,0,2)
36.26	2.4774	18.5	(2,-2,0)
36.34	2.4724	19.2	(2,1,0)
37.74	2.3836	13.1	(2,-2,1)
37.81	2.3791	14.0	(2,1,1)
38.83	2.3193	2.5	(1,1,3)
41.30	2.1859	13.6	(0,0,4)
41.91	2.1554	3.6	(2,-2,2)
43.04	2.1016	5.3	(2,-1,3)

Get direct link

Energy Properties

Formation Energy/atom

0.25113

eV/atom

Energy/atom

-2.28185

eV/atom

Energy above Hull

0.2511

eV/atom

Uncorrected Energy

-2.2819

eV/atom

Volume/atom

20.74

Å³

c/a Ratio

1.3962

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.0524

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.006190

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

0.5742

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.883%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3176

smaller = more stable mixing

VEC

2.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.781

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.655

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaadyxwg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028387

Reference Citation

The crystal structure and related material properties of Mg14FeC were obtained from the Materials Project database (MP-ID: mp-1028387, 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_Mg14FeC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26229893
_cell_length_b   6.26229893
_cell_length_c   8.74360200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.59708899
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14FeC
_chemical_formula_sum   'Mg14 Fe1 C1'
_cell_volume   331.82459586
_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  0.86317700  0.13682300  0.00000000  1.0
  Mg  Mg1  1  0.32089600  0.67910400  0.00000000  1.0
  Mg  Mg2  1  0.34710300  0.05256200  0.50000000  1.0
  Mg  Mg3  1  0.39034200  0.20301000  0.00000000  1.0
  Mg  Mg4  1  0.94743800  0.65289700  0.50000000  1.0
  Mg  Mg5  1  0.79699000  0.60965800  0.00000000  1.0
  Mg  Mg6  1  0.20201300  0.41362300  0.32228700  1.0
  Mg  Mg7  1  0.20201300  0.41362300  0.67771300  1.0
  Mg  Mg8  1  0.58637700  0.79798700  0.32228700  1.0
  Mg  Mg9  1  0.58637700  0.79798700  0.67771300  1.0
  Mg  Mg10  1  0.69336600  0.30663400  0.28696700  1.0
  Mg  Mg11  1  0.69336600  0.30663400  0.71303300  1.0
  Mg  Mg12  1  0.07883400  0.92116600  0.23458100  1.0
  Mg  Mg13  1  0.07883400  0.92116600  0.76541900  1.0
  Fe  Fe14  1  0.89741600  0.10258400  0.50000000  1.0
  C  C15  1  0.31546600  0.68453400  0.50000000  1.0

Get direct link