CeMg14Mo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026764 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CeMg14Mo

MP-ID

mp-1026764

Elements

Sites

Density

2.5426

g/cm³

Volume

376.39

Å³

Cell a

6.5040

Cell b

6.5040

Cell c

10.2743

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
8.61	10.2743	1.1	(0,0,0,1)
15.73	5.6326	52.1	(1,0,-1,0)
17.26	5.1372	14.3	(0,0,0,2)
17.96	4.9391	2.4	(1,0,-1,1)
23.44	3.7956	38.0	(1,0,-1,2)
27.43	3.2520	4.5	(2,-1,-1,0)
27.43	3.2520	9.0	(1,1,-2,0)
28.80	3.1004	1.9	(2,-1,-1,1)
30.55	2.9263	2.7	(1,0,-1,3)
31.77	2.8163	30.6	(2,0,-2,0)
32.59	2.7477	17.1	(2,-1,-1,2)
32.98	2.7161	1.1	(2,0,-2,1)
34.93	2.5686	22.9	(0,0,0,4)
36.38	2.4695	100.0	(2,0,-2,2)
38.52	2.3371	11.1	(1,0,-1,4)
42.46	2.1289	2.5	(3,-1,-2,0)
42.46	2.1289	5.0	(2,1,-3,0)
44.97	2.0157	7.1	(2,-1,-1,4)
46.16	1.9667	9.4	(3,-1,-2,2)
46.16	1.9667	4.7	(1,2,-3,2)
47.93	1.8978	18.9	(2,0,-2,4)
48.49	1.8775	1.9	(3,0,-3,0)
51.85	1.7635	4.5	(3,0,-3,2)
52.69	1.7371	1.1	(2,-1,-1,5)

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Energy Properties

Formation Energy/atom

0.20052

eV/atom

Energy/atom

-2.27505

eV/atom

Energy above Hull

0.2017

eV/atom

Uncorrected Energy

-2.2751

eV/atom

Volume/atom

23.52

Å³

c/a Ratio

1.5797

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.7754

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.010030

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

0.9152

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.091%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2138

smaller = more stable mixing

VEC

2.313

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.443

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.728

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkwy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026764

Reference Citation

The crystal structure and related material properties of CeMg14Mo were obtained from the Materials Project database (MP-ID: mp-1026764, 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_CeMg14Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50397325
_cell_length_b   6.50397270
_cell_length_c   10.27432507
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg14Mo
_chemical_formula_sum   'Ce1 Mg14 Mo1'
_cell_volume   376.39286148
_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  0.12500000  1.0
  Mg  Mg1  1  0.18325978  0.84162939  0.12500000  1.0
  Mg  Mg2  1  0.15928169  0.82964034  0.62500000  1.0
  Mg  Mg3  1  0.65837061  0.31674022  0.12500000  1.0
  Mg  Mg4  1  0.67035966  0.34071831  0.62500000  1.0
  Mg  Mg5  1  0.65837061  0.84162939  0.12500000  1.0
  Mg  Mg6  1  0.67035966  0.82964034  0.62500000  1.0
  Mg  Mg7  1  0.32964181  0.17035819  0.39366969  1.0
  Mg  Mg8  1  0.32964181  0.17035819  0.85633031  1.0
  Mg  Mg9  1  0.32964181  0.65928462  0.39366969  1.0
  Mg  Mg10  1  0.32964181  0.65928462  0.85633031  1.0
  Mg  Mg11  1  0.84071538  0.17035819  0.39366969  1.0
  Mg  Mg12  1  0.84071538  0.17035819  0.85633031  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.35958508  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.89041492  1.0
  Mo  Mo15  1  0.16666700  0.33333300  0.62500000  1.0

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