CeMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026723 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CeMg14Cr

MP-ID

mp-1026723

Elements

Sites

Density

2.3674

g/cm³

Volume

373.42

Å³

Cell a

6.4798

Cell b

6.4798

Cell c

10.2696

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	10.2696	11.7	(0,0,0,1)
15.79	5.6116	34.9	(1,0,-1,0)
17.27	5.1348	9.5	(0,0,0,2)
18.01	4.9244	16.0	(1,0,-1,1)
23.48	3.7882	26.4	(1,0,-1,2)
26.03	3.4232	1.9	(0,0,0,3)
27.53	3.2399	9.2	(2,-1,-1,0)
28.90	3.0898	6.7	(2,-1,-1,1)
30.59	2.9224	6.5	(1,0,-1,3)
31.90	2.8058	19.0	(2,0,-2,0)
31.90	2.8058	9.5	(0,2,-2,0)
32.68	2.7400	11.7	(2,-1,-1,2)
33.10	2.7066	4.3	(2,0,-2,1)
34.95	2.5674	24.2	(0,0,0,4)
36.49	2.4622	100.0	(2,0,-2,2)
38.25	2.3531	1.7	(2,-1,-1,3)
38.56	2.3347	7.5	(1,0,-1,4)
41.62	2.1700	1.8	(2,0,-2,3)
42.63	2.1210	5.2	(3,-1,-2,0)
43.57	2.0772	2.5	(3,-1,-2,1)
43.57	2.0772	1.3	(1,2,-3,1)
45.05	2.0122	4.7	(2,-1,-1,4)
46.31	1.9603	9.1	(3,-1,-2,2)
47.12	1.9288	1.1	(1,0,-1,5)

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Energy Properties

Formation Energy/atom

0.15134

eV/atom

Energy/atom

-2.24970

eV/atom

Energy above Hull

0.1525

eV/atom

Uncorrected Energy

-2.2497

eV/atom

Volume/atom

23.34

Å³

c/a Ratio

1.5849

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.7907

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.015510

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

0.6804

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.356%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0991

smaller = more stable mixing

VEC

2.313

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.723

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.761

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkvj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026723

Reference Citation

The crystal structure and related material properties of CeMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026723, 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_CeMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47975603
_cell_length_b   6.47975549
_cell_length_c   10.26963705
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000279
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg14Cr
_chemical_formula_sum   'Ce1 Mg14 Cr1'
_cell_volume   373.42465426
_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  0.18015335  0.84007617  0.12500000  1.0
  Mg  Mg2  1  0.16450104  0.83225002  0.62500000  1.0
  Mg  Mg3  1  0.65992383  0.31984665  0.12500000  1.0
  Mg  Mg4  1  0.66774998  0.33549896  0.62500000  1.0
  Mg  Mg5  1  0.65992383  0.84007617  0.12500000  1.0
  Mg  Mg6  1  0.66774998  0.83225002  0.62500000  1.0
  Mg  Mg7  1  0.33161693  0.16838307  0.38515090  1.0
  Mg  Mg8  1  0.33161693  0.16838307  0.86484910  1.0
  Mg  Mg9  1  0.33161693  0.66323485  0.38515090  1.0
  Mg  Mg10  1  0.33161693  0.66323485  0.86484910  1.0
  Mg  Mg11  1  0.83676515  0.16838307  0.38515090  1.0
  Mg  Mg12  1  0.83676515  0.16838307  0.86484910  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36502833  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88497167  1.0
  Cr  Cr15  1  0.16666700  0.33333300  0.62500000  1.0

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