LaMg14Ga

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026788 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

LaMg14Ga

MP-ID

mp-1026788

Elements

Sites

Density

2.3704

g/cm³

Volume

384.53

Å³

Cell a

6.5418

Cell b

6.5418

Cell c

10.3753

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
8.52	10.3753	8.7	(0,0,0,1)
15.64	5.6654	57.5	(1,0,-1,0)
17.09	5.1876	16.3	(0,0,0,2)
17.84	4.9724	8.3	(1,0,-1,1)
17.84	4.9724	4.2	(0,1,-1,1)
23.25	3.8260	47.3	(1,0,-1,2)
25.76	3.4584	1.8	(0,0,0,3)
27.26	3.2709	5.3	(2,-1,-1,0)
27.26	3.2709	10.6	(1,1,-2,0)
28.61	3.1196	5.6	(2,-1,-1,1)
30.28	2.9519	5.8	(1,0,-1,3)
31.58	2.8327	29.0	(2,0,-2,0)
31.58	2.8327	14.5	(0,2,-2,0)
32.36	2.7668	20.5	(2,-1,-1,2)
32.77	2.7327	2.3	(2,0,-2,1)
32.77	2.7327	1.2	(0,2,-2,1)
34.58	2.5938	36.0	(0,0,0,4)
36.13	2.4862	100.0	(2,0,-2,2)
36.13	2.4862	50.0	(0,2,-2,2)
38.16	2.3584	12.9	(1,0,-1,4)
42.20	2.1413	10.1	(3,-1,-2,0)
43.14	2.0971	1.9	(2,1,-3,1)
44.58	2.0324	8.5	(2,-1,-1,4)
45.85	1.9793	15.3	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

0.02639

eV/atom

Energy/atom

-1.89803

eV/atom

Energy above Hull

0.1157

eV/atom

Uncorrected Energy

-1.8980

eV/atom

Volume/atom

24.03

Å³

c/a Ratio

1.5860

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

0.5334

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.683%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1344

smaller = more stable mixing

VEC

2.125

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.508

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.785

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkxw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026788

Reference Citation

The crystal structure and related material properties of LaMg14Ga were obtained from the Materials Project database (MP-ID: mp-1026788, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_LaMg14Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54181914
_cell_length_b   6.54181858
_cell_length_c   10.37526190
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000281
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg14Ga
_chemical_formula_sum   'La1 Mg14 Ga1'
_cell_volume   384.52689139
_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
  La  La0  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg1  1  0.18124586  0.84062243  0.12500000  1.0
  Mg  Mg2  1  0.16101504  0.83050702  0.62500000  1.0
  Mg  Mg3  1  0.65937757  0.31875414  0.12500000  1.0
  Mg  Mg4  1  0.66949298  0.33898496  0.62500000  1.0
  Mg  Mg5  1  0.65937757  0.84062243  0.12500000  1.0
  Mg  Mg6  1  0.66949298  0.83050702  0.62500000  1.0
  Mg  Mg7  1  0.33394599  0.16605401  0.38608069  1.0
  Mg  Mg8  1  0.33394599  0.16605401  0.86391931  1.0
  Mg  Mg9  1  0.33394599  0.66789298  0.38608069  1.0
  Mg  Mg10  1  0.33394599  0.66789298  0.86391931  1.0
  Mg  Mg11  1  0.83210702  0.16605401  0.38608069  1.0
  Mg  Mg12  1  0.83210702  0.16605401  0.86391931  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36461694  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88538306  1.0
  Ga  Ga15  1  0.16666700  0.33333300  0.62500000  1.0

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