Ac2CuSn

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-865470 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Ac2CuSn

MP-ID

mp-865470

Elements

Sites

Density

8.3715

g/cm³

Volume

126.20

Å³

Cell a

5.6303

Cell b

5.6303

Cell c

5.6303

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

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 13)

2θ	d (Å)	I	hkl
19.31	4.5971	1.5	(1,1,1)
22.33	3.9812	18.4	(1,1,0)
31.79	2.8151	100.0	(2,1,1)
39.19	2.2986	6.0	(2,2,2)
45.57	1.9906	18.8	(2,2,0)
51.32	1.7805	8.6	(3,2,1)
56.63	1.6253	39.8	(3,3,2)
66.42	1.4076	12.4	(4,2,2)
71.03	1.3271	4.2	(4,3,3)
75.52	1.2590	17.3	(4,3,1)
79.92	1.2004	2.5	(4,4,2)
84.26	1.1493	4.4	(4,4,4)
88.56	1.1042	2.0	(5,3,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.37453

eV/atom

Energy/atom

-43.59152

eV/atom

Energy above Hull

0.1424

eV/atom

Uncorrected Energy

-43.5915

eV/atom

Volume/atom

31.55

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0145

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000110

μB/Å³

Elastic Properties

K_VRH

46.296

GPa

G_VRH

13.564

GPa

Young's Modulus E

37.072

GPa

Poisson Ratio ν

0.367

Pugh Ratio K/G

3.413

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.000

Lame λ

37.253

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ac · 0.500

Element Family

Actinide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

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

4.8722

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.290%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4155

smaller = more stable mixing

VEC

4.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.414

Family

Ac-rich Multi-Component

Matrix Element

Ac · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0000

Homogeneous Poisson ν

0.3670

Debye Temperature

205.0

Sound Velocity

1,434.3

m/s

Homogeneity

0.3670

Related Tasks

Related computation task IDs (5)

aaachxnb aaadwdvd aaaehaic aaaepqyz aaafbnvk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-865470

Reference Citation

The crystal structure and related material properties of Ac2CuSn were obtained from the Materials Project database (MP-ID: mp-865470, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Ac2CuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63028200
_cell_length_b   5.63028200
_cell_length_c   5.63028200
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac2CuSn
_chemical_formula_sum   'Ac2 Cu1 Sn1'
_cell_volume   126.20467543
_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  0.50000000  0.50000000  0.50000000  1.0
  Ac  Ac1  1  -0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.25000000  0.25000000  0.25000000  1.0
  Sn  Sn3  1  0.75000000  0.75000000  0.75000000  1.0

Get direct link