CeMg14W

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026785 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CeMg14W

MP-ID

mp-1026785

Elements

Sites

Density

3.1263

g/cm³

Volume

352.80

Å³

Cell a

6.3331

Cell b

6.3331

Cell c

10.1572

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
8.71	10.1572	5.2	(0,0,0,1)
16.16	5.4846	100.0	(1,0,-1,0)
17.46	5.0786	28.4	(0,0,0,2)
18.38	4.8260	4.4	(1,0,-1,1)
23.88	3.7264	76.5	(1,0,-1,2)
28.18	3.1665	26.3	(2,-1,-1,0)
31.04	2.8810	1.0	(1,0,-1,3)
32.65	2.7423	28.2	(2,0,-2,0)
32.65	2.7423	14.1	(0,2,-2,0)
33.35	2.6870	33.8	(2,-1,-1,2)
35.35	2.5393	29.2	(0,0,0,4)
37.26	2.4130	83.6	(2,0,-2,2)
37.26	2.4130	41.8	(0,2,-2,2)
38.94	2.3127	1.7	(2,-1,-1,3)
39.09	2.3043	22.5	(1,0,-1,4)
42.42	2.1310	1.3	(2,0,-2,3)
43.66	2.0730	15.3	(3,-1,-2,0)
44.61	2.0311	1.2	(3,-1,-2,1)
45.80	1.9810	4.9	(2,-1,-1,4)
45.80	1.9810	9.7	(1,1,-2,4)
47.37	1.9193	27.5	(3,-1,-2,2)
47.74	1.9050	1.1	(1,0,-1,5)
48.88	1.8632	27.4	(2,0,-2,4)
49.88	1.8282	5.6	(3,0,-3,0)

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Energy Properties

Formation Energy/atom

0.20650

eV/atom

Energy/atom

-8.57967

eV/atom

Energy above Hull

0.2353

eV/atom

Uncorrected Energy

-2.3527

eV/atom

Volume/atom

22.05

Å³

c/a Ratio

1.6038

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.1460

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000410

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

0.9183

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.091%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2613

smaller = more stable mixing

VEC

2.313

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.638

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.706

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkxt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026785

Reference Citation

The crystal structure and related material properties of CeMg14W were obtained from the Materials Project database (MP-ID: mp-1026785, 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_CeMg14W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33307283
_cell_length_b   6.33307233
_cell_length_c   10.15716045
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg14W
_chemical_formula_sum   'Ce1 Mg14 W1'
_cell_volume   352.80267062
_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  0.18198462  0.84099181  0.12500000  1.0
  Mg  Mg2  1  0.15961399  0.82980649  0.62500000  1.0
  Mg  Mg3  1  0.65900819  0.31801538  0.12500000  1.0
  Mg  Mg4  1  0.67019351  0.34038601  0.62500000  1.0
  Mg  Mg5  1  0.65900819  0.84099181  0.12500000  1.0
  Mg  Mg6  1  0.67019351  0.82980649  0.62500000  1.0
  Mg  Mg7  1  0.32964697  0.17035303  0.39476056  1.0
  Mg  Mg8  1  0.32964697  0.17035303  0.85523944  1.0
  Mg  Mg9  1  0.32964697  0.65929494  0.39476056  1.0
  Mg  Mg10  1  0.32964697  0.65929494  0.85523944  1.0
  Mg  Mg11  1  0.84070506  0.17035303  0.39476056  1.0
  Mg  Mg12  1  0.84070506  0.17035303  0.85523944  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36014690  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88985310  1.0
  W  W15  1  0.16666700  0.33333300  0.62500000  1.0

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