CsCeMg14

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026747 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CsCeMg14

MP-ID

mp-1026747

Elements

Sites

Density

2.5839

g/cm³

Volume

394.12

Å³

Cell a

6.6145

Cell b

6.6145

Cell c

10.4018

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
15.47	5.7283	80.4	(1,0,-1,0)
17.05	5.2009	24.3	(0,0,0,2)
23.10	3.8506	78.7	(1,0,-1,2)
26.96	3.3073	8.2	(2,-1,-1,0)
26.96	3.3073	16.5	(1,1,-2,0)
31.23	2.8642	31.8	(2,0,-2,0)
31.23	2.8642	15.9	(0,2,-2,0)
32.07	2.7908	10.2	(2,-1,-1,2)
32.07	2.7908	20.3	(1,1,-2,2)
34.49	2.6004	35.4	(0,0,0,4)
35.79	2.5089	100.0	(2,0,-2,2)
35.79	2.5089	50.0	(0,2,-2,2)
38.00	2.3679	17.6	(1,0,-1,4)
41.72	2.1651	12.1	(3,-1,-2,0)
41.72	2.1651	6.1	(1,2,-3,0)
44.31	2.0442	13.0	(2,-1,-1,4)
45.37	1.9988	6.5	(3,-1,-2,2)
45.37	1.9988	12.9	(2,1,-3,2)
47.21	1.9253	19.7	(2,0,-2,4)
47.21	1.9253	9.9	(0,2,-2,4)
47.62	1.9095	3.4	(3,0,-3,0)
47.62	1.9094	1.7	(0,3,-3,0)
50.95	1.7925	5.9	(3,0,-3,2)
50.95	1.7925	3.0	(0,3,-3,2)

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Energy Properties

Formation Energy/atom

0.17550

eV/atom

Energy/atom

-6.96945

eV/atom

Energy above Hull

0.2043

eV/atom

Uncorrected Energy

-1.6298

eV/atom

Volume/atom

24.63

Å³

c/a Ratio

1.5726

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.1138

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002830

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

0.9833

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.633%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1311

smaller = more stable mixing

VEC

2.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.686

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkwh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026747

Reference Citation

The crystal structure and related material properties of CsCeMg14 were obtained from the Materials Project database (MP-ID: mp-1026747, 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_CsCeMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61451225
_cell_length_b   6.61451109
_cell_length_c   10.40175948
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000573
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsCeMg14
_chemical_formula_sum   'Cs1 Ce1 Mg14'
_cell_volume   394.12409658
_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
  Cs  Cs0  1  0.16666700  0.33333300  0.62500000  1.0
  Ce  Ce1  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg2  1  0.17091511  0.83545706  0.12500000  1.0
  Mg  Mg3  1  0.17217954  0.83608927  0.62500000  1.0
  Mg  Mg4  1  0.66454294  0.32908489  0.12500000  1.0
  Mg  Mg5  1  0.66391073  0.32782046  0.62500000  1.0
  Mg  Mg6  1  0.66454294  0.83545706  0.12500000  1.0
  Mg  Mg7  1  0.66391073  0.83608927  0.62500000  1.0
  Mg  Mg8  1  0.34299811  0.15700189  0.36557294  1.0
  Mg  Mg9  1  0.34299811  0.15700189  0.88442706  1.0
  Mg  Mg10  1  0.34299811  0.68599722  0.36557294  1.0
  Mg  Mg11  1  0.34299811  0.68599722  0.88442706  1.0
  Mg  Mg12  1  0.81400278  0.15700189  0.36557294  1.0
  Mg  Mg13  1  0.81400278  0.15700189  0.88442706  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.37228630  1.0
  Mg  Mg15  1  0.83333300  0.66666700  0.87771370  1.0

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