LaMg14Cu

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1027902 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

LaMg14Cu

MP-ID

mp-1027902

Elements

Sites

Density

2.4112

g/cm³

Volume

373.76

Å³

Cell a

6.6492

Cell b

6.2447

Cell c

10.1954

α Angle

90.00

β Angle

90.00

γ Angle

118.01

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
8.67	10.1954	83.4	(0,0,1)
15.09	5.8705	23.7	(1,0,0)
16.08	5.5134	8.8	(1,-1,0)
17.40	5.0977	19.6	(0,0,2)
17.43	5.0874	32.9	(1,0,1)
18.29	4.8497	10.9	(1,-1,1)
23.11	3.8491	16.6	(1,0,2)
23.77	3.7430	4.3	(1,-1,2)
23.77	3.7430	4.3	(0,1,2)
26.22	3.3985	6.4	(0,0,3)
26.89	3.3162	4.6	(2,-1,0)
28.30	3.1536	12.4	(2,-1,1)
28.59	3.1224	5.7	(1,-2,0)
29.93	2.9855	11.0	(1,-2,1)
30.39	2.9412	9.4	(1,0,3)
30.45	2.9352	8.9	(2,0,0)
30.91	2.8930	10.1	(1,-1,3)
31.72	2.8207	5.5	(2,0,1)
32.20	2.7798	10.5	(2,-1,2)
32.48	2.7567	19.8	(2,-2,0)
32.48	2.7567	19.8	(0,2,0)
33.66	2.6626	7.8	(1,-2,2)
33.68	2.6611	13.5	(2,-2,1)
35.21	2.5489	41.2	(0,0,4)

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Energy Properties

Formation Energy/atom

0.05132

eV/atom

Energy/atom

-1.94004

eV/atom

Energy above Hull

0.0973

eV/atom

Uncorrected Energy

-1.9400

eV/atom

Volume/atom

23.36

Å³

c/a Ratio

1.5333

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

0.6178

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.400%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1548

smaller = more stable mixing

VEC

2.625

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.031

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.798

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmos

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1027902

Reference Citation

The crystal structure and related material properties of LaMg14Cu were obtained from the Materials Project database (MP-ID: mp-1027902, 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_LaMg14Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64917043
_cell_length_b   6.24471137
_cell_length_c   10.19543777
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.00741556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg14Cu
_chemical_formula_sum   'La1 Mg14 Cu1'
_cell_volume   373.75821623
_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  0.11963800  0.80981850  0.12500000  1.0
  Mg  Mg1  1  0.16238003  0.33118952  0.62500000  1.0
  Mg  Mg2  1  0.16879186  0.83439543  0.62500000  1.0
  Mg  Mg3  1  0.61934368  0.31840878  0.12500000  1.0
  Mg  Mg4  1  0.66526292  0.32608307  0.62500000  1.0
  Mg  Mg5  1  0.61934368  0.80093390  0.12500000  1.0
  Mg  Mg6  1  0.66526292  0.83917885  0.62500000  1.0
  Mg  Mg7  1  0.34413072  0.17549138  0.37878696  1.0
  Mg  Mg8  1  0.34413072  0.17549138  0.87121304  1.0
  Mg  Mg9  1  0.34413072  0.66864034  0.37878696  1.0
  Mg  Mg10  1  0.34413072  0.66864034  0.87121304  1.0
  Mg  Mg11  1  0.86757581  0.18378840  0.34469986  1.0
  Mg  Mg12  1  0.86757581  0.18378840  0.90530014  1.0
  Mg  Mg13  1  0.82682423  0.66341262  0.38983663  1.0
  Mg  Mg14  1  0.82682423  0.66341262  0.86016337  1.0
  Cu  Cu15  1  0.21465396  0.35732648  0.12500000  1.0

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