CaMg14Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028339 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

CaMg14Co

MP-ID

mp-1028339

Elements

Sites

Density

2.0335

g/cm³

Volume

358.71

Å³

Cell a

6.4449

Cell b

6.2577

Cell c

10.1736

α Angle

90.00

β Angle

90.00

γ Angle

119.04

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
8.69	10.1736	19.6	(0,0,1)
15.73	5.6345	5.6	(1,0,0)
16.20	5.4708	2.9	(1,-1,0)
17.43	5.0868	3.9	(0,0,2)
18.00	4.9290	6.3	(1,0,1)
18.41	4.8183	3.1	(1,-1,1)
23.56	3.7757	2.6	(1,0,2)
28.53	3.1288	1.0	(1,-2,0)
29.88	2.9906	2.0	(1,-2,1)
30.77	2.9055	1.9	(1,0,3)
31.03	2.8824	2.6	(1,-1,3)
31.76	2.8172	10.1	(2,0,0)
32.74	2.7354	30.7	(2,-2,0)
33.63	2.6651	1.5	(1,-2,2)
33.94	2.6416	2.2	(2,-2,1)
35.29	2.5434	39.6	(0,0,4)
36.46	2.4645	59.6	(2,0,2)
37.33	2.4092	100.0	(2,-2,2)
38.55	2.3353	2.5	(2,-1,3)
38.85	2.3182	1.5	(1,0,4)
42.46	2.1291	1.4	(2,-2,3)
43.60	2.0758	1.9	(3,-1,1)
46.39	1.9572	1.2	(3,-1,2)
46.93	1.9360	1.8	(3,-2,2)

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Energy Properties

Formation Energy/atom

0.09425

eV/atom

Energy/atom

-4.82092

eV/atom

Energy above Hull

0.1163

eV/atom

Uncorrected Energy

-1.8943

eV/atom

Volume/atom

22.42

Å³

c/a Ratio

1.5786

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0632

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000180

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

0.785

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnfn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028339

Reference Citation

The crystal structure and related material properties of CaMg14Co were obtained from the Materials Project database (MP-ID: mp-1028339, 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   6.44490725
_cell_length_b   6.25767512
_cell_length_c   10.17358655
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.04356475
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg14Co
_chemical_formula_sum   'Ca1 Mg14 Co1'
_cell_volume   358.70697472
_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  0.14196336  0.32098118  0.12500000  1.0
  Mg  Mg1  1  0.17065984  0.33532942  0.62500000  1.0
  Mg  Mg2  1  0.16222424  0.83111162  0.62500000  1.0
  Mg  Mg3  1  0.63323364  0.30370299  0.12500000  1.0
  Mg  Mg4  1  0.66351568  0.33679000  0.62500000  1.0
  Mg  Mg5  1  0.63323364  0.82952964  0.12500000  1.0
  Mg  Mg6  1  0.66351568  0.82672468  0.62500000  1.0
  Mg  Mg7  1  0.33694676  0.16001211  0.37271753  1.0
  Mg  Mg8  1  0.33694676  0.16001211  0.87728247  1.0
  Mg  Mg9  1  0.33694676  0.67693565  0.37271753  1.0
  Mg  Mg10  1  0.33694676  0.67693565  0.87728247  1.0
  Mg  Mg11  1  0.83329488  0.16664794  0.38896353  1.0
  Mg  Mg12  1  0.83329488  0.16664794  0.86103647  1.0
  Mg  Mg13  1  0.86237505  0.68118803  0.34586817  1.0
  Mg  Mg14  1  0.86237505  0.68118803  0.90413183  1.0
  Co  Co15  1  0.19252702  0.84626301  0.12500000  1.0

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