CeMg14Cd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026738 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CeMg14Cd

MP-ID

mp-1026738

Elements

Sites

Density

2.7115

g/cm³

Volume

363.03

Å³

Cell a

6.4171

Cell b

6.4171

Cell c

10.1798

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
15.95	5.5573	81.7	(1,0,-1,0)
17.42	5.0899	23.0	(0,0,0,2)
18.19	4.8778	1.3	(1,0,-1,1)
23.70	3.7535	66.4	(1,0,-1,2)
27.81	3.2085	22.4	(2,-1,-1,0)
30.88	2.8961	1.6	(1,0,-1,3)
32.22	2.7787	46.5	(2,0,-2,0)
33.00	2.7143	28.8	(2,-1,-1,2)
35.27	2.5450	35.9	(0,0,0,4)
36.85	2.4389	100.0	(2,0,-2,2)
36.85	2.4389	50.0	(0,2,-2,2)
38.92	2.3139	18.1	(1,0,-1,4)
43.06	2.1005	13.9	(3,-1,-2,0)
45.49	1.9939	11.5	(2,-1,-1,4)
46.79	1.9416	14.1	(3,-1,-2,2)
46.79	1.9416	7.0	(1,2,-3,2)
48.51	1.8768	28.8	(2,0,-2,4)
49.19	1.8524	3.0	(3,0,-3,0)
49.19	1.8524	1.5	(0,3,-3,0)
52.57	1.7407	5.0	(3,0,-3,2)
52.57	1.7407	2.5	(0,3,-3,2)
54.05	1.6966	1.3	(0,0,0,6)
56.73	1.6227	5.9	(1,0,-1,6)
56.83	1.6200	12.1	(3,-1,-2,4)

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Energy Properties

Formation Energy/atom

0.06145

eV/atom

Energy/atom

-1.79627

eV/atom

Energy above Hull

0.0874

eV/atom

Uncorrected Energy

-1.7963

eV/atom

Volume/atom

22.69

Å³

c/a Ratio

1.5864

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2078

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000570

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

0.4433

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.079%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1055

smaller = more stable mixing

VEC

2.688

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.922

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.764

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkvy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026738

Reference Citation

The crystal structure and related material properties of CeMg14Cd were obtained from the Materials Project database (MP-ID: mp-1026738, 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_CeMg14Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41704983
_cell_length_b   6.41704930
_cell_length_c   10.17984403
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000276
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg14Cd
_chemical_formula_sum   'Ce1 Mg14 Cd1'
_cell_volume   363.03001321
_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  0.18352628  0.84176264  0.12500000  1.0
  Mg  Mg2  1  0.15950080  0.82974990  0.62500000  1.0
  Mg  Mg3  1  0.65823736  0.31647372  0.12500000  1.0
  Mg  Mg4  1  0.67025010  0.34049920  0.62500000  1.0
  Mg  Mg5  1  0.65823736  0.84176264  0.12500000  1.0
  Mg  Mg6  1  0.67025010  0.82974990  0.62500000  1.0
  Mg  Mg7  1  0.33396840  0.16603160  0.38446081  1.0
  Mg  Mg8  1  0.33396840  0.16603160  0.86553919  1.0
  Mg  Mg9  1  0.33396840  0.66793779  0.38446081  1.0
  Mg  Mg10  1  0.33396840  0.66793779  0.86553919  1.0
  Mg  Mg11  1  0.83206221  0.16603160  0.38446081  1.0
  Mg  Mg12  1  0.83206221  0.16603160  0.86553919  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36207772  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88792228  1.0
  Cd  Cd15  1  0.16666700  0.33333300  0.62500000  1.0

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