CeMg6Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1022114 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

CeMg6Co

MP-ID

mp-1022114

Elements

Sites

Density

3.2053

g/cm³

Volume

178.67

Å³

Cell a

6.7051

Cell b

6.7051

Cell c

4.8395

α Angle

90.00

β Angle

90.00

γ Angle

124.80

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

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
14.91	5.9420	59.9	(1,-1,0,0)
16.10	5.5061	100.0	(1,0,-1,0)
18.33	4.8395	9.2	(0,0,0,1)
23.71	3.7524	8.6	(1,-1,0,1)
24.49	3.6350	18.5	(1,0,-1,1)
26.69	3.3402	34.8	(2,-1,-1,0)
28.74	3.1066	12.1	(1,1,-2,0)
30.08	2.9710	5.6	(2,-2,0,0)
32.52	2.7530	59.2	(2,0,-2,0)
32.57	2.7490	15.4	(2,-1,-1,1)
34.30	2.6143	4.0	(1,1,-2,1)
35.45	2.5319	56.5	(2,-2,0,1)
37.16	2.4198	34.2	(0,0,0,2)
37.59	2.3929	50.7	(2,0,-2,1)
40.24	2.2411	10.2	(1,-1,0,2)
40.64	2.2199	10.1	(3,-2,-1,0)
40.73	2.2153	19.5	(1,0,-1,2)
42.08	2.1472	7.3	(3,-1,-2,0)
44.40	2.0403	7.4	(2,1,-3,0)
44.92	2.0178	14.9	(3,-2,-1,1)
45.81	1.9807	1.2	(3,-3,0,0)
46.26	1.9627	3.1	(3,-1,-2,1)
46.26	1.9627	3.1	(1,-3,2,1)
46.33	1.9596	15.3	(2,-1,-1,2)

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Energy Properties

Formation Energy/atom

0.15894

eV/atom

Energy/atom

-2.69771

eV/atom

Energy above Hull

0.2040

eV/atom

Uncorrected Energy

-2.6977

eV/atom

Volume/atom

22.33

Å³

c/a Ratio

0.7218

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0482

μB

Mag. Ordering

AFM

Mag. Sites

Magnetization/Volume

0.000270

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.750

Element Family

Alkali-AlkEarth

Solute Fraction

0.250

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7356

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.1160

J/mol·K

Ω Parameter

0.3432

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.547%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2070

smaller = more stable mixing

VEC

3.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-18.653

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6696

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.693

Family

Mg-based Alloy

Matrix Element

Mg · 0.750

Related Tasks

Related computation task IDs (1)

aaacgeac

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1022114

Reference Citation

The crystal structure and related material properties of CeMg6Co were obtained from the Materials Project database (MP-ID: mp-1022114, 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_CeMg6Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70508420
_cell_length_b   6.70508366
_cell_length_c   4.83951968
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.79696532
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMg6Co
_chemical_formula_sum   'Ce1 Mg6 Co1'
_cell_volume   178.66881717
_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  0.28888633  0.21111367  0.75000000  1.0
  Mg  Mg1  1  0.17745940  0.83572282  0.25000000  1.0
  Mg  Mg2  1  0.66427718  0.32254060  0.25000000  1.0
  Mg  Mg3  1  0.68238370  0.81761630  0.25000000  1.0
  Mg  Mg4  1  0.31854511  0.69400477  0.75000000  1.0
  Mg  Mg5  1  0.80599523  0.18145489  0.75000000  1.0
  Mg  Mg6  1  0.84186733  0.65813267  0.75000000  1.0
  Co  Co7  1  0.22058572  0.27941428  0.25000000  1.0

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