CeMg14Fe

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028002 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

CeMg14Fe

MP-ID

mp-1028002

Elements

Sites

Density

2.4968

g/cm³

Volume

356.63

Å³

Cell a

6.5142

Cell b

5.9165

Cell c

10.3859

α Angle

90.00

β Angle

90.00

γ Angle

117.01

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
8.51	10.3859	100.0	(0,0,1)
15.27	5.8038	28.0	(1,0,0)
16.82	5.2713	10.7	(1,-1,0)
17.07	5.1930	22.3	(0,0,2)
17.50	5.0664	37.9	(1,0,1)
18.88	4.7005	13.2	(1,-1,1)
22.98	3.8700	17.4	(1,0,2)
24.06	3.6994	11.3	(1,-1,2)
25.73	3.4620	5.5	(0,0,3)
27.55	3.2382	3.4	(2,-1,0)
28.88	3.0914	11.1	(2,-1,1)
30.06	2.9732	9.8	(1,0,3)
30.21	2.9583	5.1	(1,-2,0)
30.81	2.9019	7.6	(2,0,0)
30.90	2.8937	7.2	(1,-1,3)
30.90	2.8937	7.2	(0,1,3)
31.44	2.8451	9.9	(1,-2,1)
32.02	2.7949	7.2	(2,0,1)
32.59	2.7478	8.7	(2,-1,2)
34.02	2.6356	44.8	(2,-2,0)
34.54	2.5965	46.5	(0,0,4)
34.91	2.5704	7.6	(1,-2,2)
35.13	2.5547	13.6	(2,-2,1)
35.44	2.5332	83.0	(2,0,2)

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Energy Properties

Formation Energy/atom

0.13994

eV/atom

Energy/atom

-2.18716

eV/atom

Energy above Hull

0.1481

eV/atom

Uncorrected Energy

-2.1872

eV/atom

Volume/atom

22.29

Å³

c/a Ratio

1.5943

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.7363

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002060

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

1.3995

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.608%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1369

smaller = more stable mixing

VEC

2.438

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.719

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)

aaacgmso

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028002

Reference Citation

The crystal structure and related material properties of CeMg14Fe were obtained from the Materials Project database (MP-ID: mp-1028002, 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_CeMg14Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51424199
_cell_length_b   5.91653243
_cell_length_c   10.38589210
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.00851705
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg14Fe
_chemical_formula_sum   'Ce1 Mg14 Fe1'
_cell_volume   356.63414998
_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
  Ce  Ce0  1  0.12507846  0.81253873  0.12500000  1.0
  Mg  Mg1  1  0.15123181  0.32561540  0.62500000  1.0
  Mg  Mg2  1  0.16569018  0.83284459  0.62500000  1.0
  Mg  Mg3  1  0.61756231  0.31723411  0.12500000  1.0
  Mg  Mg4  1  0.65493460  0.32430692  0.62500000  1.0
  Mg  Mg5  1  0.61756231  0.80032719  0.12500000  1.0
  Mg  Mg6  1  0.65493460  0.83062667  0.62500000  1.0
  Mg  Mg7  1  0.34848911  0.17675615  0.37343285  1.0
  Mg  Mg8  1  0.34848911  0.17675615  0.87656715  1.0
  Mg  Mg9  1  0.34848911  0.67173396  0.37343285  1.0
  Mg  Mg10  1  0.34848911  0.67173396  0.87656715  1.0
  Mg  Mg11  1  0.88097331  0.19048716  0.33566757  1.0
  Mg  Mg12  1  0.88097331  0.19048716  0.91433243  1.0
  Mg  Mg13  1  0.83919544  0.66959822  0.39222117  1.0
  Mg  Mg14  1  0.83919544  0.66959822  0.85777883  1.0
  Fe  Fe15  1  0.17871181  0.33935541  0.12500000  1.0

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