Mg14CdCu

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1026876 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14CdCu

MP-ID

mp-1026876

Elements

Sites

Density

2.4627

g/cm³

Volume

348.09

Å³

Cell a

6.3143

Cell b

6.3320

Cell c

10.0624

α Angle

90.00

β Angle

90.00

γ Angle

120.09

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
8.79	10.0624	65.1	(0,0,1)
16.18	5.4785	3.0	(1,-1,0)
16.22	5.4632	16.4	(1,0,0)
17.63	5.0312	12.9	(0,0,2)
18.44	4.8116	5.1	(1,-1,1)
18.48	4.8012	23.9	(1,0,1)
24.01	3.7057	3.5	(1,-1,2)
24.05	3.7009	11.5	(1,0,2)
26.58	3.3541	2.8	(0,0,3)
28.19	3.1660	4.2	(1,-2,0)
29.58	3.0200	6.7	(1,-2,1)
31.27	2.8606	1.9	(1,-1,3)
31.29	2.8584	5.6	(1,0,3)
32.69	2.7393	28.2	(2,-2,0)
32.79	2.7316	13.9	(2,0,0)
33.44	2.6796	5.2	(1,-2,2)
33.51	2.6742	1.3	(2,-1,2)
33.92	2.6431	9.5	(2,-2,1)
34.01	2.6362	4.7	(2,0,1)
35.69	2.5156	36.7	(0,0,4)
37.38	2.4058	100.0	(2,-2,2)
37.46	2.4006	49.7	(2,0,2)
39.13	2.3023	4.4	(1,-2,3)
39.44	2.2850	3.5	(1,0,4)

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Energy Properties

Formation Energy/atom

0.03193

eV/atom

Energy/atom

-1.71093

eV/atom

Energy above Hull

0.0631

eV/atom

Uncorrected Energy

-1.7109

eV/atom

Volume/atom

21.76

Å³

c/a Ratio

1.5936

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

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

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

0.5746

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.021%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1646

smaller = more stable mixing

VEC

3.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.234

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaacglbg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026876

Reference Citation

The crystal structure and related material properties of Mg14CdCu were obtained from the Materials Project database (MP-ID: mp-1026876, 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_Mg14CdCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31425202
_cell_length_b   6.33200746
_cell_length_c   10.06235057
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.09306793
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CdCu
_chemical_formula_sum   'Mg14 Cd1 Cu1'
_cell_volume   348.08503571
_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
  Mg  Mg0  1  0.16782683  0.33391292  0.62500000  1.0
  Mg  Mg1  1  0.16974129  0.83487015  0.62500000  1.0
  Mg  Mg2  1  0.67328941  0.33758044  0.12500000  1.0
  Mg  Mg3  1  0.66565467  0.33134729  0.62500000  1.0
  Mg  Mg4  1  0.67328941  0.83570796  0.12500000  1.0
  Mg  Mg5  1  0.66565467  0.83430639  0.62500000  1.0
  Mg  Mg6  1  0.32787151  0.16955864  0.36214196  1.0
  Mg  Mg7  1  0.32787151  0.16955864  0.88785804  1.0
  Mg  Mg8  1  0.32787151  0.65831387  0.36214196  1.0
  Mg  Mg9  1  0.32787151  0.65831387  0.88785804  1.0
  Mg  Mg10  1  0.84038779  0.17019439  0.36788379  1.0
  Mg  Mg11  1  0.84038779  0.17019439  0.88211621  1.0
  Mg  Mg12  1  0.83313714  0.66656907  0.37535014  1.0
  Mg  Mg13  1  0.83313714  0.66656907  0.87464986  1.0
  Cd  Cd14  1  0.16093270  0.83046585  0.12500000  1.0
  Cu  Cu15  1  0.16507512  0.33253706  0.12500000  1.0

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