BaMg14Ga

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026508 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

BaMg14Ga

MP-ID

mp-1026508

Elements

Sites

Density

2.2946

g/cm³

Volume

396.07

Å³

Cell a

6.5689

Cell b

6.5689

Cell c

10.5988

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
8.34	10.5988	4.0	(0,0,0,1)
15.58	5.6889	34.6	(1,0,-1,0)
16.73	5.2994	10.8	(0,0,0,2)
17.69	5.0125	7.1	(1,0,-1,1)
22.94	3.8776	31.9	(1,0,-1,2)
25.21	3.5329	1.7	(0,0,0,3)
27.15	3.2845	10.1	(2,-1,-1,0)
28.45	3.1373	3.2	(2,-1,-1,1)
29.77	3.0013	3.4	(1,0,-1,3)
31.45	2.8444	19.1	(2,0,-2,0)
31.45	2.8444	9.6	(0,2,-2,0)
32.06	2.7918	12.9	(2,-1,-1,2)
32.59	2.7472	2.3	(2,0,-2,1)
33.83	2.6497	24.7	(0,0,0,4)
35.83	2.5062	100.0	(2,0,-2,2)
37.44	2.4019	8.0	(1,0,-1,4)
42.02	2.1502	6.9	(3,-1,-2,0)
42.92	2.1073	1.5	(3,-1,-2,1)
43.90	2.0623	5.7	(2,-1,-1,4)
45.53	1.9924	6.0	(3,-1,-2,2)
45.53	1.9924	3.0	(1,2,-3,2)
46.86	1.9388	18.3	(2,0,-2,4)
47.98	1.8963	2.1	(3,0,-3,0)
49.63	1.8368	1.6	(3,-1,-2,3)

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Energy Properties

Formation Energy/atom

0.08636

eV/atom

Energy/atom

-1.64950

eV/atom

Energy above Hull

0.1386

eV/atom

Uncorrected Energy

-1.6495

eV/atom

Volume/atom

24.75

Å³

c/a Ratio

1.6135

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

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

1.3049

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.258%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1632

smaller = more stable mixing

VEC

2.063

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.625

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.730

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgknc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026508

Reference Citation

The crystal structure and related material properties of BaMg14Ga were obtained from the Materials Project database (MP-ID: mp-1026508, 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_BaMg14Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56893475
_cell_length_b   6.56893419
_cell_length_c   10.59877971
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000287
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg14Ga
_chemical_formula_sum   'Ba1 Mg14 Ga1'
_cell_volume   396.07400857
_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  0.12500000  1.0
  Mg  Mg1  1  0.17860547  0.83930223  0.12500000  1.0
  Mg  Mg2  1  0.16190018  0.83094959  0.62500000  1.0
  Mg  Mg3  1  0.66069777  0.32139453  0.12500000  1.0
  Mg  Mg4  1  0.66905041  0.33809982  0.62500000  1.0
  Mg  Mg5  1  0.66069777  0.83930223  0.12500000  1.0
  Mg  Mg6  1  0.66905041  0.83094959  0.62500000  1.0
  Mg  Mg7  1  0.33683254  0.16316746  0.39063153  1.0
  Mg  Mg8  1  0.33683254  0.16316746  0.85936847  1.0
  Mg  Mg9  1  0.33683254  0.67366608  0.39063153  1.0
  Mg  Mg10  1  0.33683254  0.67366608  0.85936847  1.0
  Mg  Mg11  1  0.82633392  0.16316746  0.39063153  1.0
  Mg  Mg12  1  0.82633392  0.16316746  0.85936847  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36939448  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88060552  1.0
  Ga  Ga15  1  0.16666700  0.33333300  0.62500000  1.0

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