LaMg6Cd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1017478 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

LaMg6Cd

MP-ID

mp-1017478

Elements

Sites

Density

3.2422

g/cm³

Volume

406.80

Å³

Cell a

5.1671

Cell b

6.7445

Cell c

11.6731

α Angle

90.00

β Angle

90.00

γ Angle

90.00

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
15.17	5.8398	90.9	(0,1,1)
15.18	5.8366	12.6	(0,0,2)
22.98	3.8698	27.7	(1,1,1)
22.99	3.8688	39.3	(1,0,2)
26.43	3.3722	17.3	(0,2,0)
30.62	2.9199	24.1	(0,2,2)
30.64	2.9183	12.7	(0,0,4)
31.70	2.8229	42.8	(1,1,3)
34.72	2.5836	34.8	(2,0,0)
35.31	2.5421	100.0	(1,2,2)
35.32	2.5410	48.8	(1,0,4)
38.09	2.3627	19.1	(2,1,1)
38.09	2.3625	2.7	(2,0,2)
40.88	2.2076	8.3	(0,3,1)
40.90	2.2067	4.2	(0,2,4)
40.91	2.2062	9.1	(0,1,5)
44.16	2.0509	8.6	(2,2,0)
44.64	2.0301	3.9	(1,3,1)
44.65	2.0294	10.8	(1,2,4)
44.66	2.0290	3.2	(1,1,5)
46.69	1.9455	3.7	(0,0,6)
46.96	1.9349	14.4	(2,2,2)
46.97	1.9344	7.6	(2,0,4)
50.07	1.8216	12.2	(1,3,3)

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Energy Properties

Formation Energy/atom

0.00503

eV/atom

Energy/atom

-1.95482

eV/atom

Energy above Hull

0.1106

eV/atom

Uncorrected Energy

-1.9548

eV/atom

Volume/atom

25.43

Å³

c/a Ratio

2.2591

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0030

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.750

Element Family

Alkali-AlkEarth

Solute Fraction

0.250

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7356

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.1160

J/mol·K

Ω Parameter

0.3857

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.569%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1520

smaller = more stable mixing

VEC

3.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.518

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6696

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.715

Family

Mg-based Alloy

Matrix Element

Mg · 0.750

Related Tasks

Related computation task IDs (1)

aaacgcrz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1017478

Reference Citation

The crystal structure and related material properties of LaMg6Cd were obtained from the Materials Project database (MP-ID: mp-1017478, 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_LaMg6Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16713800
_cell_length_b   6.74445800
_cell_length_c   11.67312500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg6Cd
_chemical_formula_sum   'La2 Mg12 Cd2'
_cell_volume   406.80309756
_cell_formula_units_Z   2
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  0.00000000  0.50000000  0.33097000  1.0
  La  La1  1  0.00000000  0.00000000  0.83097000  1.0
  Mg  Mg2  1  0.00000000  0.25491400  0.08056200  1.0
  Mg  Mg3  1  0.00000000  0.74508600  0.08056200  1.0
  Mg  Mg4  1  0.00000000  0.50000000  0.83726100  1.0
  Mg  Mg5  1  0.50000000  0.26227400  0.92180900  1.0
  Mg  Mg6  1  0.50000000  0.73772600  0.92180900  1.0
  Mg  Mg7  1  0.50000000  0.50000000  0.66710700  1.0
  Mg  Mg8  1  0.00000000  0.75491400  0.58056200  1.0
  Mg  Mg9  1  0.00000000  0.24508600  0.58056200  1.0
  Mg  Mg10  1  0.00000000  0.00000000  0.33726100  1.0
  Mg  Mg11  1  0.50000000  0.76227400  0.42180900  1.0
  Mg  Mg12  1  0.50000000  0.23772600  0.42180900  1.0
  Mg  Mg13  1  0.50000000  0.00000000  0.16710700  1.0
  Cd  Cd14  1  0.50000000  0.50000000  0.15992100  1.0
  Cd  Cd15  1  0.50000000  0.00000000  0.65992100  1.0

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