CeMg14Ga

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026773 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CeMg14Ga

MP-ID

mp-1026773

Elements

Sites

Density

2.5624

g/cm³

Volume

356.49

Å³

Cell a

6.3723

Cell b

6.3723

Cell c

10.1374

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
8.72	10.1374	6.9	(0,0,0,1)
16.06	5.5186	40.6	(1,0,-1,0)
17.50	5.0687	11.4	(0,0,0,2)
18.30	4.8469	9.0	(1,0,-1,1)
23.84	3.7330	32.0	(1,0,-1,2)
26.38	3.3791	1.1	(0,0,0,3)
28.00	3.1861	3.7	(2,-1,-1,0)
28.00	3.1861	7.3	(1,1,-2,0)
29.38	3.0396	4.0	(2,-1,-1,1)
31.03	2.8818	4.2	(1,0,-1,3)
32.45	2.7593	19.5	(2,0,-2,0)
32.45	2.7593	9.7	(0,2,-2,0)
33.21	2.6975	14.1	(2,-1,-1,2)
33.66	2.6624	2.4	(2,0,-2,1)
35.42	2.5344	24.2	(0,0,0,4)
37.10	2.4235	100.0	(2,0,-2,2)
39.11	2.3031	9.1	(1,0,-1,4)
43.38	2.0858	4.4	(3,-1,-2,0)
43.38	2.0858	2.2	(1,2,-3,0)
44.34	2.0430	1.4	(3,-1,-2,1)
45.75	1.9834	1.9	(2,-1,-1,4)
45.75	1.9834	3.8	(1,1,-2,4)
47.12	1.9289	10.8	(3,-1,-2,2)
48.79	1.8665	18.1	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

0.05846

eV/atom

Energy/atom

-1.92852

eV/atom

Energy above Hull

0.1248

eV/atom

Uncorrected Energy

-1.9285

eV/atom

Volume/atom

22.28

Å³

c/a Ratio

1.5909

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.1039

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000290

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

0.5280

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.524%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1323

smaller = more stable mixing

VEC

2.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.518

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.779

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkxh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026773

Reference Citation

The crystal structure and related material properties of CeMg14Ga were obtained from the Materials Project database (MP-ID: mp-1026773, 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_CeMg14Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37228323
_cell_length_b   6.37228270
_cell_length_c   10.13738374
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000269
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg14Ga
_chemical_formula_sum   'Ce1 Mg14 Ga1'
_cell_volume   356.48939263
_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  0.18142288  0.84071094  0.12500000  1.0
  Mg  Mg2  1  0.16013744  0.83006822  0.62500000  1.0
  Mg  Mg3  1  0.65928906  0.31857712  0.12500000  1.0
  Mg  Mg4  1  0.66993178  0.33986256  0.62500000  1.0
  Mg  Mg5  1  0.65928906  0.84071094  0.12500000  1.0
  Mg  Mg6  1  0.66993178  0.83006822  0.62500000  1.0
  Mg  Mg7  1  0.33269673  0.16730327  0.38498902  1.0
  Mg  Mg8  1  0.33269673  0.16730327  0.86501098  1.0
  Mg  Mg9  1  0.33269673  0.66539445  0.38498902  1.0
  Mg  Mg10  1  0.33269673  0.66539445  0.86501098  1.0
  Mg  Mg11  1  0.83460555  0.16730327  0.38498902  1.0
  Mg  Mg12  1  0.83460555  0.16730327  0.86501098  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36189807  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88810193  1.0
  Ga  Ga15  1  0.16666700  0.33333300  0.62500000  1.0

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