BaMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026563 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

BaMg14Cr

MP-ID

mp-1026563

Elements

Sites

Density

2.2356

g/cm³

Volume

393.36

Å³

Cell a

6.6046

Cell b

6.4620

Cell c

10.5676

α Angle

90.00

β Angle

90.00

γ Angle

119.29

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
8.37	10.5676	52.6	(0,0,1)
15.38	5.7604	15.7	(1,0,0)
15.72	5.6360	8.3	(1,-1,0)
16.78	5.2838	14.4	(0,0,2)
17.53	5.0578	24.0	(1,0,1)
17.84	4.9729	13.5	(1,-1,1)
22.84	3.8938	14.1	(1,0,2)
23.07	3.8547	10.3	(1,-1,2)
25.28	3.5225	7.7	(0,0,3)
27.01	3.3013	3.0	(2,-1,0)
27.61	3.2310	4.3	(1,-2,0)
28.32	3.1511	6.7	(2,-1,1)
28.90	3.0898	8.2	(1,-2,1)
29.73	3.0052	7.7	(1,0,3)
29.91	2.9871	7.0	(1,-1,3)
31.05	2.8802	13.1	(2,0,0)
31.75	2.8180	15.3	(2,-2,0)
31.75	2.8180	15.3	(0,2,0)
31.97	2.7997	1.9	(2,-1,2)
31.97	2.7997	1.9	(1,1,2)
32.21	2.7788	6.0	(2,0,1)
32.48	2.7565	5.5	(1,-2,2)
32.89	2.7228	5.6	(2,-2,1)
32.89	2.7228	5.6	(0,2,1)

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Energy Properties

Formation Energy/atom

0.17338

eV/atom

Energy/atom

-1.97653

eV/atom

Energy above Hull

0.1910

eV/atom

Uncorrected Energy

-1.9765

eV/atom

Volume/atom

24.59

Å³

c/a Ratio

1.6000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.6994

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.009400

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

1.7252

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.814%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1366

smaller = more stable mixing

VEC

2.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.248

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.695

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkpf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026563

Reference Citation

The crystal structure and related material properties of BaMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026563, 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_BaMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60463237
_cell_length_b   6.46200288
_cell_length_c   10.56759442
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.28817114
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg14Cr
_chemical_formula_sum   'Ba1 Mg14 Cr1'
_cell_volume   393.36273993
_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  0.15702109  0.32851005  0.12500000  1.0
  Mg  Mg1  1  0.16742697  0.33371299  0.62500000  1.0
  Mg  Mg2  1  0.16151259  0.83075580  0.62500000  1.0
  Mg  Mg3  1  0.65416150  0.31840879  0.12500000  1.0
  Mg  Mg4  1  0.66646035  0.33754281  0.62500000  1.0
  Mg  Mg5  1  0.65416150  0.83575172  0.12500000  1.0
  Mg  Mg6  1  0.66646035  0.82891655  0.62500000  1.0
  Mg  Mg7  1  0.34007629  0.16057324  0.38666404  1.0
  Mg  Mg8  1  0.34007629  0.16057324  0.86333596  1.0
  Mg  Mg9  1  0.34007629  0.67950405  0.38666404  1.0
  Mg  Mg10  1  0.34007629  0.67950405  0.86333596  1.0
  Mg  Mg11  1  0.82520348  0.16260224  0.39246535  1.0
  Mg  Mg12  1  0.82520348  0.16260224  0.85753465  1.0
  Mg  Mg13  1  0.84238856  0.67119478  0.36348183  1.0
  Mg  Mg14  1  0.84238856  0.67119478  0.88651817  1.0
  Cr  Cr15  1  0.17730640  0.83865270  0.12500000  1.0

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