Mg14CuSn

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1027829 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14CuSn

MP-ID

mp-1027829

Elements

Sites

Density

2.4677

g/cm³

Volume

351.61

Å³

Cell a

6.2540

Cell b

6.2931

Cell c

10.3375

α Angle

90.00

β Angle

90.00

γ Angle

120.21

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
8.55	10.3375	64.0	(0,0,1)
16.30	5.4386	3.8	(1,-1,0)
16.40	5.4048	16.0	(1,0,0)
17.16	5.1688	13.9	(0,0,2)
18.43	4.8131	3.1	(1,-1,1)
18.43	4.8131	3.1	(0,1,1)
18.52	4.7897	23.9	(1,0,1)
23.75	3.7466	4.0	(1,-1,2)
23.82	3.7355	12.6	(1,0,2)
25.86	3.4459	4.5	(0,0,3)
28.36	3.1466	4.3	(1,-2,0)
28.55	3.1269	1.2	(2,-1,0)
29.68	3.0102	7.4	(1,-2,1)
29.85	2.9930	2.2	(2,-1,1)
30.72	2.9108	2.2	(1,-1,3)
30.77	2.9056	6.6	(1,0,3)
32.94	2.7193	27.7	(2,-2,0)
33.15	2.7024	13.5	(2,0,0)
33.34	2.6877	5.7	(1,-2,2)
33.49	2.6755	1.6	(2,-1,2)
34.09	2.6298	10.5	(2,-2,1)
34.30	2.6146	5.2	(2,0,1)
34.71	2.5844	40.0	(0,0,4)
37.37	2.4066	100.0	(2,-2,2)

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Energy Properties

Formation Energy/atom

0.01653

eV/atom

Energy/atom

-1.91693

eV/atom

Energy above Hull

0.0664

eV/atom

Uncorrected Energy

-1.9169

eV/atom

Volume/atom

21.98

Å³

c/a Ratio

1.6529

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

0.6125

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.021%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2053

smaller = more stable mixing

VEC

2.688

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.813

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaacgmlx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1027829

Reference Citation

The crystal structure and related material properties of Mg14CuSn were obtained from the Materials Project database (MP-ID: mp-1027829, 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_Mg14CuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25403740
_cell_length_b   6.29311355
_cell_length_c   10.33754295
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.20690836
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CuSn
_chemical_formula_sum   'Mg14 Cu1 Sn1'
_cell_volume   351.61285052
_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  0.16784032  0.33391966  0.62500000  1.0
  Mg  Mg1  1  0.16781617  0.83390759  0.62500000  1.0
  Mg  Mg2  1  0.66811279  0.33461511  0.12500000  1.0
  Mg  Mg3  1  0.66582377  0.33268535  0.62500000  1.0
  Mg  Mg4  1  0.66811279  0.83349668  0.12500000  1.0
  Mg  Mg5  1  0.66582377  0.83313742  0.62500000  1.0
  Mg  Mg6  1  0.33072278  0.16955167  0.37007841  1.0
  Mg  Mg7  1  0.33072278  0.16955167  0.87992159  1.0
  Mg  Mg8  1  0.33072278  0.66117212  0.37007841  1.0
  Mg  Mg9  1  0.33072278  0.66117212  0.87992159  1.0
  Mg  Mg10  1  0.83816802  0.16908451  0.37083208  1.0
  Mg  Mg11  1  0.83816802  0.16908451  0.87916792  1.0
  Mg  Mg12  1  0.83288666  0.66644383  0.37740107  1.0
  Mg  Mg13  1  0.83288666  0.66644383  0.87259893  1.0
  Cu  Cu14  1  0.16691970  0.33345935  0.12500000  1.0
  Sn  Sn15  1  0.16455020  0.83227460  0.12500000  1.0

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