CaMg14Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028179 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

CaMg14Co

MP-ID

mp-1028179

Elements

Sites

Density

2.0230

g/cm³

Volume

360.57

Å³

Cell a

6.4022

Cell b

6.4022

Cell c

10.1580

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	10.1580	6.6	(0,0,0,1)
15.99	5.5444	13.9	(1,0,-1,0)
17.46	5.0790	3.8	(0,0,0,2)
18.23	4.8667	3.7	(1,0,-1,1)
23.76	3.7452	7.3	(1,0,-1,2)
27.87	3.2011	1.0	(2,-1,-1,0)
27.87	3.2011	2.0	(1,1,-2,0)
30.95	2.8897	1.4	(1,0,-1,3)
32.29	2.7722	38.8	(2,0,-2,0)
33.08	2.7081	3.4	(2,-1,-1,2)
35.34	2.5395	34.8	(0,0,0,4)
36.94	2.4334	100.0	(2,0,-2,2)
36.94	2.4334	50.0	(0,2,-2,2)
38.71	2.3261	2.1	(2,-1,-1,3)
39.01	2.3088	2.4	(1,0,-1,4)
42.13	2.1450	2.8	(2,0,-2,3)
44.13	2.0524	1.1	(3,-1,-2,1)
45.60	1.9895	1.8	(2,-1,-1,4)
46.90	1.9372	3.9	(3,-1,-2,2)
47.67	1.9076	1.6	(1,0,-1,5)
48.62	1.8726	22.0	(2,0,-2,4)
56.13	1.6387	1.5	(2,0,-2,5)
57.59	1.6005	8.7	(4,-2,-2,0)
57.59	1.6005	17.4	(2,2,-4,0)

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Energy Properties

Formation Energy/atom

0.11130

eV/atom

Energy/atom

-4.80387

eV/atom

Energy above Hull

0.1333

eV/atom

Uncorrected Energy

-1.8773

eV/atom

Volume/atom

22.54

Å³

c/a Ratio

1.5867

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0245

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000070

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

0.6066

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.951%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1614

smaller = more stable mixing

VEC

2.438

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.274

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.774

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmzj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028179

Reference Citation

The crystal structure and related material properties of CaMg14Co were obtained from the Materials Project database (MP-ID: mp-1028179, 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_CaMg14Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40216585
_cell_length_b   6.40216533
_cell_length_c   10.15801342
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000275
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg14Co
_chemical_formula_sum   'Ca1 Mg14 Co1'
_cell_volume   360.57300350
_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
  Ca  Ca0  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg1  1  0.17649763  0.83824831  0.12500000  1.0
  Mg  Mg2  1  0.15960720  0.82980310  0.62500000  1.0
  Mg  Mg3  1  0.66175169  0.32350237  0.12500000  1.0
  Mg  Mg4  1  0.67019690  0.34039280  0.62500000  1.0
  Mg  Mg5  1  0.66175169  0.83824831  0.12500000  1.0
  Mg  Mg6  1  0.67019690  0.82980310  0.62500000  1.0
  Mg  Mg7  1  0.32814713  0.17185287  0.39699692  1.0
  Mg  Mg8  1  0.32814713  0.17185287  0.85300308  1.0
  Mg  Mg9  1  0.32814713  0.65629527  0.39699692  1.0
  Mg  Mg10  1  0.32814713  0.65629527  0.85300308  1.0
  Mg  Mg11  1  0.84370473  0.17185287  0.39699692  1.0
  Mg  Mg12  1  0.84370473  0.17185287  0.85300308  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36533089  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88466911  1.0
  Co  Co15  1  0.16666700  0.33333300  0.62500000  1.0

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