CeMg14Fe

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028432 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CeMg14Fe

MP-ID

mp-1028432

Elements

Sites

Density

2.4192

g/cm³

Volume

368.07

Å³

Cell a

6.4284

Cell b

6.4284

Cell c

10.2849

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
8.60	10.2849	7.6	(0,0,0,1)
15.92	5.5672	25.7	(1,0,-1,0)
15.92	5.5672	12.8	(1,-1,0,0)
17.24	5.1424	11.0	(0,0,0,2)
18.12	4.8959	13.0	(1,0,-1,1)
23.55	3.7775	27.7	(1,0,-1,2)
25.99	3.4283	2.8	(0,0,0,3)
27.76	3.2142	9.8	(2,-1,-1,0)
29.11	3.0679	6.6	(2,-1,-1,1)
30.63	2.9192	7.6	(1,0,-1,3)
32.16	2.7836	28.9	(2,0,-2,0)
32.86	2.7256	12.4	(2,-1,-1,2)
33.35	2.6869	4.3	(2,0,-2,1)
34.89	2.5712	23.5	(0,0,0,4)
36.71	2.4480	100.0	(2,0,-2,2)
38.57	2.3343	8.2	(1,0,-1,4)
41.80	2.1610	1.4	(2,0,-2,3)
42.98	2.1042	5.2	(3,-1,-2,0)
43.92	2.0615	3.4	(3,-1,-2,1)
45.16	2.0078	5.4	(2,-1,-1,4)
46.64	1.9475	3.5	(2,1,-3,2)
46.64	1.9475	7.0	(3,-1,-2,2)
48.18	1.8887	17.9	(2,0,-2,4)
49.09	1.8557	2.0	(3,0,-3,0)

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Energy Properties

Formation Energy/atom

0.15748

eV/atom

Energy/atom

-2.16962

eV/atom

Energy above Hull

0.1656

eV/atom

Uncorrected Energy

-2.1696

eV/atom

Volume/atom

23.00

Å³

c/a Ratio

1.5999

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.9509

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.013450

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

0.712

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaaeatai

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028432

Reference Citation

The crystal structure and related material properties of CeMg14Fe were obtained from the Materials Project database (MP-ID: mp-1028432, 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   6.42838773
_cell_length_b   6.42838773
_cell_length_c   10.28484600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999721
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg14Fe
_chemical_formula_sum   'Ce1 Mg14 Fe1'
_cell_volume   368.07181595
_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  0.66666700  0.33333300  0.50000000  1.0
  Mg  Mg1  1  0.65846200  0.82923100  0.00000000  1.0
  Mg  Mg2  1  0.68342300  0.84171100  0.50000000  1.0
  Mg  Mg3  1  0.17076900  0.34153800  0.00000000  1.0
  Mg  Mg4  1  0.15828900  0.31657700  0.50000000  1.0
  Mg  Mg5  1  0.17076900  0.82923100  0.00000000  1.0
  Mg  Mg6  1  0.15828900  0.84171100  0.50000000  1.0
  Mg  Mg7  1  0.82938400  0.17061600  0.22881000  1.0
  Mg  Mg8  1  0.82938400  0.17061600  0.77119000  1.0
  Mg  Mg9  1  0.82938400  0.65876800  0.22881000  1.0
  Mg  Mg10  1  0.82938400  0.65876800  0.77119000  1.0
  Mg  Mg11  1  0.34123200  0.17061600  0.22881000  1.0
  Mg  Mg12  1  0.34123200  0.17061600  0.77119000  1.0
  Mg  Mg13  1  0.33333300  0.66666700  0.26427800  1.0
  Mg  Mg14  1  0.33333300  0.66666700  0.73572200  1.0
  Fe  Fe15  1  0.66666700  0.33333300  0.00000000  1.0

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