CeMg14Ti

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026754 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CeMg14Ti

MP-ID

mp-1026754

Elements

Sites

Density

2.2279

g/cm³

Volume

393.72

Å³

Cell a

6.6108

Cell b

6.6107

Cell c

10.4030

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
8.50	10.4030	13.1	(0,0,0,1)
15.48	5.7251	32.4	(1,0,-1,0)
17.05	5.2015	8.8	(0,0,0,2)
17.68	5.0157	12.5	(1,0,-1,1)
17.68	5.0157	6.3	(0,1,-1,1)
23.10	3.8499	24.5	(1,0,-1,2)
25.69	3.4677	2.3	(0,0,0,3)
26.97	3.3054	2.9	(2,-1,-1,0)
26.97	3.3054	5.7	(1,1,-2,0)
28.33	3.1502	2.6	(2,-1,-1,1)
28.33	3.1502	5.3	(1,1,-2,1)
30.13	2.9660	7.6	(1,0,-1,3)
31.25	2.8625	18.8	(2,0,-2,0)
31.25	2.8625	9.4	(0,2,-2,0)
32.08	2.7898	3.6	(2,-1,-1,2)
32.08	2.7898	7.2	(1,1,-2,2)
32.44	2.7600	3.4	(2,0,-2,1)
32.44	2.7600	1.7	(0,2,-2,1)
34.49	2.6008	23.7	(0,0,0,4)
35.81	2.5079	100.0	(2,0,-2,2)
37.59	2.3926	1.3	(1,1,-2,3)
38.00	2.3679	6.9	(1,0,-1,4)
40.88	2.2076	2.1	(2,0,-2,3)
41.74	2.1639	3.3	(3,-1,-2,0)

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Energy Properties

Formation Energy/atom

0.13463

eV/atom

Energy/atom

-2.15656

eV/atom

Energy above Hull

0.1358

eV/atom

Uncorrected Energy

-2.1566

eV/atom

Volume/atom

24.61

Å³

c/a Ratio

1.5737

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.6625

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.001680

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

8.1431

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.357%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0745

smaller = more stable mixing

VEC

2.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.471

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.772

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkwo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026754

Reference Citation

The crystal structure and related material properties of CeMg14Ti were obtained from the Materials Project database (MP-ID: mp-1026754, 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_CeMg14Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61074583
_cell_length_b   6.61074453
_cell_length_c   10.40302885
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000645
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg14Ti
_chemical_formula_sum   'Ce1 Mg14 Ti1'
_cell_volume   393.72341241
_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  0.62500000  1.0
  Mg  Mg1  1  0.16349114  0.83174507  0.12500000  1.0
  Mg  Mg2  1  0.18164204  0.84082052  0.62500000  1.0
  Mg  Mg3  1  0.66825493  0.33650886  0.12500000  1.0
  Mg  Mg4  1  0.65917948  0.31835796  0.62500000  1.0
  Mg  Mg5  1  0.66825493  0.83174507  0.12500000  1.0
  Mg  Mg6  1  0.65917948  0.84082052  0.62500000  1.0
  Mg  Mg7  1  0.33202327  0.16797673  0.36368403  1.0
  Mg  Mg8  1  0.33202327  0.16797673  0.88631597  1.0
  Mg  Mg9  1  0.33202327  0.66404753  0.36368403  1.0
  Mg  Mg10  1  0.33202327  0.66404753  0.88631597  1.0
  Mg  Mg11  1  0.83595247  0.16797673  0.36368403  1.0
  Mg  Mg12  1  0.83595247  0.16797673  0.88631597  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.38533728  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.86466272  1.0
  Ti  Ti15  1  0.16666700  0.33333300  0.12500000  1.0

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