CeMg6Cd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1017489 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

CeMg6Cd

MP-ID

mp-1017489

Elements

Sites

Density

3.3915

g/cm³

Volume

390.09

Å³

Cell a

5.1207

Cell b

6.5786

Cell c

11.5796

α Angle

90.00

β Angle

90.00

γ Angle

90.00

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
15.30	5.7898	15.0	(0,0,2)
15.49	5.7200	97.1	(0,1,1)
23.19	3.8358	40.7	(1,0,2)
23.32	3.8152	27.5	(1,1,1)
27.11	3.2893	17.6	(0,2,0)
30.89	2.8949	11.6	(0,0,4)
31.28	2.8600	26.3	(0,2,2)
32.07	2.7911	45.6	(1,1,3)
35.05	2.5604	36.6	(2,0,0)
35.63	2.5201	53.6	(1,0,4)
35.97	2.4969	100.0	(1,2,2)
38.44	2.3416	3.2	(2,0,2)
38.52	2.3369	20.7	(2,1,1)
41.33	2.1845	9.0	(0,1,5)
41.56	2.1731	3.7	(0,2,4)
41.93	2.1546	8.4	(0,3,1)
44.86	2.0204	9.0	(2,2,0)
45.12	2.0093	4.5	(1,1,5)
45.33	2.0005	12.0	(1,2,4)
45.68	1.9859	4.1	(1,3,1)
47.09	1.9299	3.9	(0,0,6)
47.40	1.9179	6.9	(2,0,4)
47.67	1.9076	15.9	(2,2,2)
51.12	1.7868	12.5	(1,3,3)

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Energy Properties

Formation Energy/atom

0.05792

eV/atom

Energy/atom

-2.02706

eV/atom

Energy above Hull

0.1098

eV/atom

Uncorrected Energy

-2.0271

eV/atom

Volume/atom

24.38

Å³

c/a Ratio

2.2613

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.5333

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.006490

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.750

Element Family

Alkali-AlkEarth

Solute Fraction

0.250

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7356

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.1160

J/mol·K

Ω Parameter

0.3785

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.666%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1483

smaller = more stable mixing

VEC

3.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.544

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6696

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.715

Family

Mg-based Alloy

Matrix Element

Mg · 0.750

Related Tasks

Related computation task IDs (1)

aaacgcsz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1017489

Reference Citation

The crystal structure and related material properties of CeMg6Cd were obtained from the Materials Project database (MP-ID: mp-1017489, 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_CeMg6Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12074000
_cell_length_b   6.57859300
_cell_length_c   11.57959900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg6Cd
_chemical_formula_sum   'Ce2 Mg12 Cd2'
_cell_volume   390.08501222
_cell_formula_units_Z   2
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  0.00000000  0.50000000  0.32822100  1.0
  Ce  Ce1  1  0.00000000  0.00000000  0.82822100  1.0
  Mg  Mg2  1  0.00000000  0.74508200  0.07885900  1.0
  Mg  Mg3  1  0.00000000  0.25491800  0.07885900  1.0
  Mg  Mg4  1  0.00000000  0.00000000  0.33855900  1.0
  Mg  Mg5  1  0.50000000  0.24171600  0.42234700  1.0
  Mg  Mg6  1  0.50000000  0.75828400  0.42234700  1.0
  Mg  Mg7  1  0.50000000  0.00000000  0.16970000  1.0
  Mg  Mg8  1  0.00000000  0.24508200  0.57885900  1.0
  Mg  Mg9  1  0.00000000  0.75491800  0.57885900  1.0
  Mg  Mg10  1  0.00000000  0.50000000  0.83855900  1.0
  Mg  Mg11  1  0.50000000  0.74171600  0.92234700  1.0
  Mg  Mg12  1  0.50000000  0.25828400  0.92234700  1.0
  Mg  Mg13  1  0.50000000  0.50000000  0.66970000  1.0
  Cd  Cd14  1  0.50000000  0.50000000  0.16110900  1.0
  Cd  Cd15  1  0.50000000  0.00000000  0.66110900  1.0

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