CeMg14C

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026798 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CeMg14C

MP-ID

mp-1026798

Elements

Sites

Density

2.3761

g/cm³

Volume

344.11

Å³

Cell a

6.2775

Cell b

6.2775

Cell c

10.0832

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
8.77	10.0832	28.4	(0,0,0,1)
16.30	5.4365	25.4	(1,0,-1,0)
17.59	5.0416	7.0	(0,0,0,2)
18.54	4.7852	43.8	(1,0,-1,1)
24.07	3.6967	13.9	(1,0,-1,2)
26.52	3.3611	7.9	(0,0,0,3)
28.44	3.1387	5.8	(2,-1,-1,0)
29.81	2.9969	19.8	(2,-1,-1,1)
31.29	2.8588	21.9	(1,0,-1,3)
32.95	2.7182	27.5	(2,0,-2,0)
33.64	2.6646	6.6	(2,-1,-1,2)
34.16	2.6245	13.4	(2,0,-2,1)
35.62	2.5208	23.1	(0,0,0,4)
37.59	2.3926	100.0	(2,0,-2,2)
39.27	2.2940	3.9	(2,-1,-1,3)
39.40	2.2869	4.9	(1,0,-1,4)
42.78	2.1135	4.6	(2,0,-2,3)
44.07	2.0548	2.1	(3,-1,-2,0)
45.03	2.0134	9.1	(3,-1,-2,1)
45.03	2.0134	1.8	(1,2,-3,1)
46.19	1.9654	3.4	(2,-1,-1,4)
47.80	1.9028	7.6	(3,-1,-2,2)
48.13	1.8907	2.6	(1,0,-1,5)
49.30	1.8483	16.4	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

0.31154

eV/atom

Energy/atom

-5.88584

eV/atom

Energy above Hull

0.3604

eV/atom

Uncorrected Energy

-2.0170

eV/atom

Volume/atom

21.51

Å³

c/a Ratio

1.6063

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.5124

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001490

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

0.063

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

0.3356

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.663%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3067

smaller = more stable mixing

VEC

2.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-12.783

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.663

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkyg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026798

Reference Citation

The crystal structure and related material properties of CeMg14C were obtained from the Materials Project database (MP-ID: mp-1026798, 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_CeMg14C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27747417
_cell_length_b   6.27747367
_cell_length_c   10.08316155
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000270
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg14C
_chemical_formula_sum   'Ce1 Mg14 C1'
_cell_volume   344.10990945
_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  0.18432708  0.84216304  0.12500000  1.0
  Mg  Mg2  1  0.15271937  0.82635919  0.62500000  1.0
  Mg  Mg3  1  0.65783696  0.31567292  0.12500000  1.0
  Mg  Mg4  1  0.67364081  0.34728063  0.62500000  1.0
  Mg  Mg5  1  0.65783696  0.84216304  0.12500000  1.0
  Mg  Mg6  1  0.67364081  0.82635919  0.62500000  1.0
  Mg  Mg7  1  0.32421048  0.17578952  0.40163789  1.0
  Mg  Mg8  1  0.32421048  0.17578952  0.84836211  1.0
  Mg  Mg9  1  0.32421048  0.64842196  0.40163789  1.0
  Mg  Mg10  1  0.32421048  0.64842196  0.84836211  1.0
  Mg  Mg11  1  0.85157804  0.17578952  0.40163789  1.0
  Mg  Mg12  1  0.85157804  0.17578952  0.84836211  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36008725  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88991275  1.0
  C  C15  1  0.16666700  0.33333300  0.62500000  1.0

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