LaMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026786 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

LaMg14Cr

MP-ID

mp-1026786

Elements

Sites

Density

2.3237

g/cm³

Volume

379.59

Å³

Cell a

6.5603

Cell b

6.3774

Cell c

10.3817

α Angle

90.00

β Angle

90.00

γ Angle

119.08

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
8.52	10.3817	61.6	(0,0,1)
15.46	5.7333	17.9	(1,0,0)
15.90	5.5734	10.1	(1,-1,0)
17.08	5.1908	14.9	(0,0,2)
17.67	5.0188	26.3	(1,0,1)
18.06	4.9105	15.5	(1,-1,1)
23.11	3.8480	14.5	(1,0,2)
23.42	3.7985	10.9	(1,-1,2)
25.74	3.4606	6.2	(0,0,3)
27.20	3.2785	3.4	(2,-1,0)
27.98	3.1887	4.5	(1,-2,0)
28.55	3.1263	7.3	(2,-1,1)
29.30	3.0482	8.5	(1,-2,1)
30.16	2.9627	7.9	(1,0,3)
30.40	2.9399	7.4	(1,-1,3)
31.20	2.8666	12.8	(2,0,0)
32.12	2.7867	32.0	(2,-2,0)
32.30	2.7719	4.6	(2,-1,2)
32.40	2.7632	6.1	(2,0,1)
32.97	2.7170	5.9	(1,-2,2)
33.29	2.6914	11.5	(2,-2,1)
34.56	2.5954	39.4	(0,0,4)
35.78	2.5094	59.0	(2,0,2)
36.60	2.4553	100.0	(2,-2,2)

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Energy Properties

Formation Energy/atom

0.11131

eV/atom

Energy/atom

-2.22716

eV/atom

Energy above Hull

0.1388

eV/atom

Uncorrected Energy

-2.2272

eV/atom

Volume/atom

23.72

Å³

c/a Ratio

1.5825

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.9251

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.010340

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

0.6891

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.400%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1017

smaller = more stable mixing

VEC

2.313

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.694

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.770

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkxu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026786

Reference Citation

The crystal structure and related material properties of LaMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026786, 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_LaMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56033118
_cell_length_b   6.37739045
_cell_length_c   10.38167541
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.08175638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg14Cr
_chemical_formula_sum   'La1 Mg14 Cr1'
_cell_volume   379.58705335
_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  0.15392442  0.32696171  0.12500000  1.0
  Mg  Mg1  1  0.16752990  0.33376445  0.62500000  1.0
  Mg  Mg2  1  0.16338677  0.83169288  0.62500000  1.0
  Mg  Mg3  1  0.64985124  0.31502863  0.12500000  1.0
  Mg  Mg4  1  0.66611520  0.33601773  0.62500000  1.0
  Mg  Mg5  1  0.64985124  0.83482161  0.12500000  1.0
  Mg  Mg6  1  0.66611520  0.83009648  0.62500000  1.0
  Mg  Mg7  1  0.33910856  0.16327250  0.38053866  1.0
  Mg  Mg8  1  0.33910856  0.16327250  0.86946134  1.0
  Mg  Mg9  1  0.33910856  0.67583706  0.38053866  1.0
  Mg  Mg10  1  0.33910856  0.67583706  0.86946134  1.0
  Mg  Mg11  1  0.82949219  0.16474660  0.38666141  1.0
  Mg  Mg12  1  0.82949219  0.16474660  0.86333859  1.0
  Mg  Mg13  1  0.84558551  0.67279325  0.36096151  1.0
  Mg  Mg14  1  0.84558551  0.67279325  0.88903849  1.0
  Cr  Cr15  1  0.17663640  0.83831770  0.12500000  1.0

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