BaMg14Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028406 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

BaMg14Co

MP-ID

mp-1028406

Elements

Sites

Density

2.3471

g/cm³

Volume

379.58

Å³

Cell a

6.4812

Cell b

6.4812

Cell c

10.4345

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
8.47	10.4345	3.3	(0,0,0,1)
15.79	5.6129	38.4	(1,0,-1,0)
16.99	5.2173	12.0	(0,0,0,2)
17.94	4.9431	9.1	(1,0,-1,1)
23.28	3.8214	27.0	(1,0,-1,2)
25.61	3.4782	4.1	(0,0,0,3)
27.52	3.2406	9.7	(2,-1,-1,0)
28.85	3.0948	5.8	(2,-1,-1,1)
30.23	2.9565	7.9	(1,0,-1,3)
31.89	2.8064	29.3	(2,0,-2,0)
32.53	2.7528	11.7	(2,-1,-1,2)
33.05	2.7101	2.9	(2,0,-2,1)
33.05	2.7101	1.4	(0,2,-2,1)
34.38	2.6086	21.9	(0,0,0,4)
36.35	2.4715	100.0	(2,0,-2,2)
38.04	2.3656	7.7	(1,0,-1,4)
41.34	2.1841	1.7	(2,0,-2,3)
42.62	2.1215	4.8	(3,-1,-2,0)
43.53	2.0789	1.4	(3,-1,-2,1)
43.53	2.0789	1.4	(2,-3,1,1)
44.59	2.0320	6.2	(2,-1,-1,4)
46.19	1.9652	10.9	(3,-1,-2,2)
47.59	1.9107	18.4	(2,0,-2,4)
48.67	1.8710	1.3	(3,0,-3,0)

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Energy Properties

Formation Energy/atom

0.19449

eV/atom

Energy/atom

-1.79795

eV/atom

Energy above Hull

0.2127

eV/atom

Uncorrected Energy

-1.7980

eV/atom

Volume/atom

23.72

Å³

c/a Ratio

1.6100

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2859

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000750

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

0.5778

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.078%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1768

smaller = more stable mixing

VEC

2.438

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.539

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.681

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnic

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028406

Reference Citation

The crystal structure and related material properties of BaMg14Co were obtained from the Materials Project database (MP-ID: mp-1028406, 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_BaMg14Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48116477
_cell_length_b   6.48116422
_cell_length_c   10.43449066
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg14Co
_chemical_formula_sum   'Ba1 Mg14 Co1'
_cell_volume   379.58405686
_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
  Ba  Ba0  1  0.16666700  0.33333300  0.62500000  1.0
  Mg  Mg1  1  0.15107849  0.82553874  0.12500000  1.0
  Mg  Mg2  1  0.17980644  0.83990272  0.62500000  1.0
  Mg  Mg3  1  0.67446126  0.34892151  0.12500000  1.0
  Mg  Mg4  1  0.66009728  0.32019356  0.62500000  1.0
  Mg  Mg5  1  0.67446126  0.82553874  0.12500000  1.0
  Mg  Mg6  1  0.66009728  0.83990272  0.62500000  1.0
  Mg  Mg7  1  0.32756501  0.17243499  0.34191591  1.0
  Mg  Mg8  1  0.32756501  0.17243499  0.90808409  1.0
  Mg  Mg9  1  0.32756501  0.65513103  0.34191591  1.0
  Mg  Mg10  1  0.32756501  0.65513103  0.90808409  1.0
  Mg  Mg11  1  0.84486897  0.17243499  0.34191591  1.0
  Mg  Mg12  1  0.84486897  0.17243499  0.90808409  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.38773780  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.86226220  1.0
  Co  Co15  1  0.16666700  0.33333300  0.12500000  1.0

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