BaMg14Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028411 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

BaMg14Co

MP-ID

mp-1028411

Elements

Sites

Density

2.3419

g/cm³

Volume

380.43

Å³

Cell a

6.6028

Cell b

6.1947

Cell c

10.5316

α Angle

90.00

β Angle

90.00

γ Angle

117.98

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
8.40	10.5316	100.0	(0,0,1)
15.19	5.8313	26.9	(1,0,0)
16.20	5.4708	10.7	(1,-1,0)
16.84	5.2658	25.1	(0,0,2)
17.38	5.1015	37.5	(1,0,1)
18.27	4.8549	11.6	(1,-1,1)
22.75	3.9081	18.2	(1,0,2)
23.45	3.7939	11.7	(1,-1,2)
25.37	3.5105	8.2	(0,0,3)
27.08	3.2928	5.2	(2,-1,0)
28.40	3.1428	16.6	(2,-1,1)
28.82	3.0974	6.1	(1,-2,0)
29.70	3.0076	10.9	(1,0,3)
30.07	2.9715	12.4	(1,-2,1)
30.25	2.9546	18.7	(1,-1,3)
30.66	2.9156	7.4	(2,0,0)
31.85	2.8099	6.2	(2,0,1)
32.06	2.7919	6.2	(2,-1,2)
32.06	2.7919	6.2	(1,1,2)
32.74	2.7354	25.7	(2,-2,0)
32.74	2.7354	25.7	(0,2,0)
33.57	2.6698	9.2	(1,-2,2)
33.86	2.6476	14.9	(2,-2,1)
34.05	2.6329	51.7	(0,0,4)

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Energy Properties

Formation Energy/atom

0.15677

eV/atom

Energy/atom

-1.83567

eV/atom

Energy above Hull

0.1749

eV/atom

Uncorrected Energy

-1.8357

eV/atom

Volume/atom

23.78

Å³

c/a Ratio

1.5950

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.5512

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001450

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

0.706

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnih

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028411

Reference Citation

The crystal structure and related material properties of BaMg14Co were obtained from the Materials Project database (MP-ID: mp-1028411, 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   6.60280328
_cell_length_b   6.19470313
_cell_length_c   10.53158126
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.97566657
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg14Co
_chemical_formula_sum   'Ba1 Mg14 Co1'
_cell_volume   380.43055218
_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  0.11581658  0.80790779  0.12500000  1.0
  Mg  Mg1  1  0.15158511  0.32579206  0.62500000  1.0
  Mg  Mg2  1  0.17181037  0.83590469  0.62500000  1.0
  Mg  Mg3  1  0.60703171  0.31465880  0.12500000  1.0
  Mg  Mg4  1  0.65940212  0.32474604  0.62500000  1.0
  Mg  Mg5  1  0.60703171  0.79237191  0.12500000  1.0
  Mg  Mg6  1  0.65940212  0.83465507  0.62500000  1.0
  Mg  Mg7  1  0.34900923  0.18182196  0.38102940  1.0
  Mg  Mg8  1  0.34900923  0.18182196  0.86897060  1.0
  Mg  Mg9  1  0.34900923  0.66718827  0.38102940  1.0
  Mg  Mg10  1  0.34900923  0.66718827  0.86897060  1.0
  Mg  Mg11  1  0.87764998  0.18882549  0.33295238  1.0
  Mg  Mg12  1  0.87764998  0.18882549  0.91704762  1.0
  Mg  Mg13  1  0.83232057  0.66616079  0.40011143  1.0
  Mg  Mg14  1  0.83232057  0.66616079  0.84988857  1.0
  Co  Co15  1  0.21194227  0.35597063  0.12500000  1.0

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