LaMg14Cr

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026750 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

LaMg14Cr

MP-ID

mp-1026750

Elements

Sites

Density

2.2970

g/cm³

Volume

384.00

Å³

Cell a

6.5557

Cell b

6.5557

Cell c

10.3172

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
8.57	10.3172	15.6	(0,0,0,1)
15.61	5.6774	49.2	(1,0,-1,0)
17.19	5.1586	13.6	(0,0,0,2)
17.83	4.9740	23.1	(1,0,-1,1)
23.30	3.8179	39.4	(1,0,-1,2)
25.91	3.4391	2.9	(0,0,0,3)
27.21	3.2778	13.4	(2,-1,-1,0)
28.57	3.1240	9.2	(2,-1,-1,1)
30.39	2.9415	8.6	(1,0,-1,3)
31.52	2.8387	42.6	(2,0,-2,0)
32.36	2.7666	16.9	(2,-1,-1,2)
32.72	2.7370	6.3	(2,0,-2,1)
34.78	2.5793	35.7	(0,0,0,4)
36.12	2.4870	100.0	(2,0,-2,2)
36.12	2.4870	50.0	(0,2,-2,2)
37.92	2.3727	2.6	(2,-1,-1,3)
38.33	2.3483	10.5	(1,0,-1,4)
41.24	2.1892	2.5	(2,0,-2,3)
42.11	2.1459	2.7	(3,-1,-2,0)
42.11	2.1459	5.4	(2,1,-3,0)
43.06	2.1009	3.6	(3,-1,-2,1)
43.06	2.1009	1.8	(1,2,-3,1)
44.71	2.0270	6.9	(2,-1,-1,4)
45.80	1.9813	8.4	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

0.12761

eV/atom

Energy/atom

-2.21087

eV/atom

Energy above Hull

0.1551

eV/atom

Uncorrected Energy

-2.2109

eV/atom

Volume/atom

24.00

Å³

c/a Ratio

1.5738

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.5496

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011850

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

0.759

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkwk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026750

Reference Citation

The crystal structure and related material properties of LaMg14Cr were obtained from the Materials Project database (MP-ID: mp-1026750, 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   6.55568748
_cell_length_b   6.55568692
_cell_length_c   10.31715550
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000283
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg14Cr
_chemical_formula_sum   'La1 Mg14 Cr1'
_cell_volume   383.99630222
_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  0.17775977  0.83887939  0.12500000  1.0
  Mg  Mg2  1  0.16610904  0.83305402  0.62500000  1.0
  Mg  Mg3  1  0.66112061  0.32224023  0.12500000  1.0
  Mg  Mg4  1  0.66694598  0.33389096  0.62500000  1.0
  Mg  Mg5  1  0.66112061  0.83887939  0.12500000  1.0
  Mg  Mg6  1  0.66694598  0.83305402  0.62500000  1.0
  Mg  Mg7  1  0.33357390  0.16642610  0.38531348  1.0
  Mg  Mg8  1  0.33357390  0.16642610  0.86468652  1.0
  Mg  Mg9  1  0.33357390  0.66714880  0.38531348  1.0
  Mg  Mg10  1  0.33357390  0.66714880  0.86468652  1.0
  Mg  Mg11  1  0.83285120  0.16642610  0.38531348  1.0
  Mg  Mg12  1  0.83285120  0.16642610  0.86468652  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36919780  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88080220  1.0
  Cr  Cr15  1  0.16666700  0.33333300  0.62500000  1.0

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