AcEuAu2

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1006278 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

AcEuAu2

MP-ID

mp-1006278

Elements

Sites

Density

11.5353

g/cm³

Volume

111.26

Å³

Cell a

5.3987

Cell b

5.3987

Cell c

5.3987

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

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 8)

2θ	d (Å)	I	hkl
20.14	4.4080	1.7	(1,1,1)
33.19	2.6993	100.0	(2,1,1)
39.13	2.3020	1.0	(2,2,1)
47.64	1.9087	18.5	(2,2,0)
59.30	1.5585	38.7	(2,-1,-1)
69.67	1.3497	12.1	(4,2,2)
79.38	1.2072	17.1	(4,3,1)
88.78	1.1020	4.5	(4,4,4)

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Energy Properties

Formation Energy/atom

-0.77987

eV/atom

Energy/atom

-6.01913

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-52.9376

eV/atom

Volume/atom

27.82

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.4132

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.066630

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Au · 0.500

Element Family

5d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.934%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6959

smaller = more stable mixing

VEC

7.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (5)

aaadmfzb aaaduphw aaaemtah aaaetcaw aaafshaf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1006278

Reference Citation

The crystal structure and related material properties of AcEuAu2 were obtained from the Materials Project database (MP-ID: mp-1006278, 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_AcEuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39865588
_cell_length_b   5.39865588
_cell_length_c   5.39865588
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcEuAu2
_chemical_formula_sum   'Ac1 Eu1 Au2'
_cell_volume   111.26073853
_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
  Ac  Ac0  1  0.25000100  0.25000100  0.25000100  1.0
  Eu  Eu1  1  0.75000000  0.75000000  0.75000000  1.0
  Au  Au2  1  0.50000000  0.50000000  0.50000000  1.0
  Au  Au3  1  -0.00000000  -0.00000000  -0.00000000  1.0

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