CeMg14Mn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028131 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CeMg14Mn

MP-ID

mp-1028131

Elements

Sites

Density

2.3342

g/cm³

Volume

380.83

Å³

Cell a

6.5295

Cell b

6.5295

Cell c

10.3142

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
8.57	10.3142	15.6	(0,0,0,1)
15.67	5.6547	53.1	(1,0,-1,0)
17.19	5.1571	14.4	(0,0,0,2)
17.89	4.9584	15.1	(1,0,-1,1)
17.89	4.9584	7.5	(0,1,-1,1)
23.35	3.8104	40.4	(1,0,-1,2)
25.92	3.4381	2.9	(0,0,0,3)
27.32	3.2648	4.7	(2,-1,-1,0)
27.32	3.2648	9.4	(1,1,-2,0)
28.68	3.1126	9.4	(2,-1,-1,1)
30.43	2.9377	9.0	(1,0,-1,3)
31.65	2.8274	42.8	(2,0,-2,0)
32.46	2.7585	5.9	(2,-1,-1,2)
32.46	2.7585	11.9	(1,1,-2,2)
32.85	2.7268	6.2	(2,0,-2,1)
34.79	2.5786	35.9	(0,0,0,4)
36.23	2.4792	100.0	(2,0,-2,2)
36.23	2.4792	50.0	(0,2,-2,2)
38.01	2.3674	1.6	(1,1,-2,3)
38.37	2.3461	11.4	(1,0,-1,4)
41.34	2.1838	2.4	(2,0,-2,3)
42.29	2.1373	8.2	(3,-1,-2,0)
43.23	2.0928	1.8	(3,-1,-2,1)
43.23	2.0928	3.6	(2,1,-3,1)

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Energy Properties

Formation Energy/atom

0.13310

eV/atom

Energy/atom

-2.23725

eV/atom

Energy above Hull

0.1343

eV/atom

Uncorrected Energy

-2.2373

eV/atom

Volume/atom

23.80

Å³

c/a Ratio

1.5796

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.6422

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.009560

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

3.7230

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.482%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0765

smaller = more stable mixing

VEC

2.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.003

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.818

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmxn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028131

Reference Citation

The crystal structure and related material properties of CeMg14Mn were obtained from the Materials Project database (MP-ID: mp-1028131, 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…

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Raw CIF Data

# generated using pymatgen
data_CeMg14Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52951809
_cell_length_b   6.52951753
_cell_length_c   10.31422487
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg14Mn
_chemical_formula_sum   'Ce1 Mg14 Mn1'
_cell_volume   380.82849548
_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  0.16666700  0.33333300  0.62500000  1.0
  Mg  Mg1  1  0.16469310  0.83234605  0.12500000  1.0
  Mg  Mg2  1  0.18041006  0.84020453  0.62500000  1.0
  Mg  Mg3  1  0.66765395  0.33530690  0.12500000  1.0
  Mg  Mg4  1  0.65979547  0.31958994  0.62500000  1.0
  Mg  Mg5  1  0.66765395  0.83234605  0.12500000  1.0
  Mg  Mg6  1  0.65979547  0.84020453  0.62500000  1.0
  Mg  Mg7  1  0.33185544  0.16814456  0.36422826  1.0
  Mg  Mg8  1  0.33185544  0.16814456  0.88577174  1.0
  Mg  Mg9  1  0.33185544  0.66371187  0.36422826  1.0
  Mg  Mg10  1  0.33185544  0.66371187  0.88577174  1.0
  Mg  Mg11  1  0.83628813  0.16814456  0.36422826  1.0
  Mg  Mg12  1  0.83628813  0.16814456  0.88577174  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.38307485  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.86692515  1.0
  Mn  Mn15  1  0.16666700  0.33333300  0.12500000  1.0

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