LaMg14Nb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026748 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

LaMg14Nb

MP-ID

mp-1026748

Elements

Sites

Density

2.5262

g/cm³

Volume

376.05

Å³

Cell a

6.5406

Cell b

6.5406

Cell c

10.1503

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
8.71	10.1503	1.2	(0,0,0,1)
15.64	5.6643	32.4	(1,0,-1,0)
15.64	5.6643	16.2	(0,1,-1,0)
17.47	5.0752	12.8	(0,0,0,2)
17.93	4.9463	2.9	(1,0,-1,1)
23.54	3.7799	37.2	(1,0,-1,2)
27.27	3.2703	4.3	(2,-1,-1,0)
27.27	3.2703	8.6	(1,1,-2,0)
30.78	2.9047	1.6	(1,0,-1,3)
31.59	2.8322	30.5	(2,0,-2,0)
32.57	2.7490	16.2	(2,-1,-1,2)
32.83	2.7280	1.1	(2,0,-2,1)
35.37	2.5376	22.7	(0,0,0,4)
36.33	2.4731	100.0	(2,0,-2,2)
38.89	2.3158	9.9	(1,0,-1,4)
42.21	2.1409	5.2	(3,-1,-2,0)
42.21	2.1409	2.6	(1,2,-3,0)
45.23	2.0048	2.2	(2,-1,-1,4)
45.23	2.0048	4.5	(1,1,-2,4)
46.01	1.9726	12.6	(3,-1,-2,2)
48.15	1.8899	18.3	(2,0,-2,4)
48.20	1.8881	1.8	(3,0,-3,0)
51.65	1.7696	4.4	(3,0,-3,2)
56.21	1.6363	6.6	(3,-1,-2,4)

Get direct link

Energy Properties

Formation Energy/atom

0.14320

eV/atom

Energy/atom

-2.22329

eV/atom

Energy above Hull

0.1707

eV/atom

Uncorrected Energy

-2.2233

eV/atom

Volume/atom

23.50

Å³

c/a Ratio

1.5519

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.9852

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002620

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

0.9820

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.785%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0894

smaller = more stable mixing

VEC

2.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.136

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.749

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkwi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026748

Reference Citation

The crystal structure and related material properties of LaMg14Nb were obtained from the Materials Project database (MP-ID: mp-1026748, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_LaMg14Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54059530
_cell_length_b   6.54059474
_cell_length_c   10.15031860
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000283
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg14Nb
_chemical_formula_sum   'La1 Mg14 Nb1'
_cell_volume   376.04932396
_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  0.17596431  0.83798166  0.12500000  1.0
  Mg  Mg2  1  0.16574312  0.83287106  0.62500000  1.0
  Mg  Mg3  1  0.66201834  0.32403569  0.12500000  1.0
  Mg  Mg4  1  0.66712894  0.33425688  0.62500000  1.0
  Mg  Mg5  1  0.66201834  0.83798166  0.12500000  1.0
  Mg  Mg6  1  0.66712894  0.83287106  0.62500000  1.0
  Mg  Mg7  1  0.33268397  0.16731603  0.38799881  1.0
  Mg  Mg8  1  0.33268397  0.16731603  0.86200119  1.0
  Mg  Mg9  1  0.33268397  0.66536894  0.38799881  1.0
  Mg  Mg10  1  0.33268397  0.66536894  0.86200119  1.0
  Mg  Mg11  1  0.83463106  0.16731603  0.38799881  1.0
  Mg  Mg12  1  0.83463106  0.16731603  0.86200119  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37011664  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87988336  1.0
  Nb  Nb15  1  0.16666700  0.33333300  0.62500000  1.0

Get direct link