BaMg14Sn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026412 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

BaMg14Sn

MP-ID

mp-1026412

Elements

Sites

Density

2.4541

g/cm³

Volume

403.48

Å³

Cell a

6.5800

Cell b

6.5800

Cell c

10.7608

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
15.55	5.6984	48.3	(1,0,-1,0)
16.48	5.3804	15.4	(0,0,0,2)
22.73	3.9121	46.2	(1,0,-1,2)
27.10	3.2900	4.8	(2,-1,-1,0)
27.10	3.2900	9.6	(1,1,-2,0)
31.40	2.8492	20.2	(2,0,-2,0)
31.40	2.8492	10.1	(0,2,-2,0)
31.88	2.8068	18.7	(2,-1,-1,2)
33.31	2.6902	25.5	(0,0,0,4)
35.66	2.5180	100.0	(2,0,-2,2)
36.95	2.4327	11.9	(1,0,-1,4)
41.95	2.1538	3.4	(3,-1,-2,0)
41.95	2.1538	6.7	(2,1,-3,0)
43.45	2.0826	8.3	(2,-1,-1,4)
45.36	1.9996	12.8	(3,-1,-2,2)
46.42	1.9561	13.5	(2,0,-2,4)
46.42	1.9561	6.7	(0,2,-2,4)
47.89	1.8995	3.1	(3,0,-3,0)
50.92	1.7935	1.0	(0,0,0,6)
50.99	1.7911	5.2	(3,0,-3,2)
53.57	1.7107	4.7	(1,0,-1,6)
54.58	1.6813	9.4	(3,-1,-2,4)
55.89	1.6450	17.1	(4,-2,-2,0)
58.39	1.5805	2.2	(4,-1,-3,0)

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Energy Properties

Formation Energy/atom

0.07474

eV/atom

Energy/atom

-1.72246

eV/atom

Energy above Hull

0.1626

eV/atom

Uncorrected Energy

-1.7225

eV/atom

Volume/atom

25.22

Å³

c/a Ratio

1.6354

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0083

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

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

0.9926

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.370%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1929

smaller = more stable mixing

VEC

2.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.714

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkjk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026412

Reference Citation

The crystal structure and related material properties of BaMg14Sn were obtained from the Materials Project database (MP-ID: mp-1026412, 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_BaMg14Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57999714
_cell_length_b   6.57999657
_cell_length_c   10.76078634
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000287
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg14Sn
_chemical_formula_sum   'Ba1 Mg14 Sn1'
_cell_volume   403.48370441
_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  0.16197610  0.83098755  0.12500000  1.0
  Mg  Mg2  1  0.17867236  0.83933568  0.62500000  1.0
  Mg  Mg3  1  0.66901245  0.33802390  0.12500000  1.0
  Mg  Mg4  1  0.66066432  0.32132764  0.62500000  1.0
  Mg  Mg5  1  0.66901245  0.83098755  0.12500000  1.0
  Mg  Mg6  1  0.66066432  0.83933568  0.62500000  1.0
  Mg  Mg7  1  0.33870637  0.16129363  0.36313093  1.0
  Mg  Mg8  1  0.33870637  0.16129363  0.88686907  1.0
  Mg  Mg9  1  0.33870637  0.67741374  0.36313093  1.0
  Mg  Mg10  1  0.33870637  0.67741374  0.88686907  1.0
  Mg  Mg11  1  0.82258626  0.16129363  0.36313093  1.0
  Mg  Mg12  1  0.82258626  0.16129363  0.88686907  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.38239759  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.86760241  1.0
  Sn  Sn15  1  0.16666700  0.33333300  0.12500000  1.0

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