SrAc(CuSn2)2

High-Entropy Materials HEA

MP-ID: mp-3251785 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

SrAc(CuSn2)2

MP-ID

mp-3251785

Elements

Sites

Density

7.4096

g/cm³

Volume

205.41

Å³

Cell a

9.8732

Cell b

9.8732

Cell c

4.6039

α Angle

90.00

β Angle

90.00

γ Angle

152.76

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
9.22	9.5956	29.9	(1,-1,0)
18.49	4.7978	1.9	(2,-2,0)
19.28	4.6039	5.7	(0,0,1)
19.65	4.5188	6.4	(1,0,0)
21.41	4.1509	2.5	(1,-1,1)
23.66	3.7611	8.2	(2,-1,0)
23.66	3.7611	8.2	(1,-2,0)
26.84	3.3219	5.2	(2,-2,1)
27.66	3.2250	17.6	(1,0,1)
27.89	3.1985	16.9	(3,-3,0)
30.19	2.9600	24.1	(3,-2,0)
30.19	2.9600	24.1	(2,-3,0)
30.70	2.9127	100.0	(2,-1,1)
30.70	2.9127	100.0	(1,-2,1)
34.13	2.6268	49.3	(3,-3,1)
36.07	2.4898	11.7	(3,-2,1)
37.49	2.3989	2.3	(4,-4,0)
38.11	2.3616	1.5	(4,-3,0)
38.11	2.3616	1.5	(3,-4,0)
38.73	2.3248	51.8	(1,1,0)
39.13	2.3020	50.3	(0,0,2)
39.90	2.2594	2.1	(2,0,0)
40.29	2.2385	2.0	(1,-1,2)
42.49	2.1274	24.2	(4,-4,1)

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Energy Properties

Formation Energy/atom

-0.52205

eV/atom

Energy/atom

-26.07973

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.0797

eV/atom

Volume/atom

25.68

Å³

c/a Ratio

0.4663

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

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2130

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0849

J/mol·K

Ω Parameter

2.2406

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.125%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3987

smaller = more stable mixing

VEC

5.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8750

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahdair

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3251785

Reference Citation

The crystal structure and related material properties of SrAc(CuSn2)2 were obtained from the Materials Project database (MP-ID: mp-3251785, 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_SrAc(CuSn2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.87318766
_cell_length_b   9.87318670
_cell_length_c   4.60394175
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   152.76212442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAc(CuSn2)2
_chemical_formula_sum   'Sr1 Ac1 Cu2 Sn4'
_cell_volume   205.40545843
_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
  Sr  Sr0  1  0.10658501  0.89341499  0.25000000  1.0
  Ac  Ac1  1  0.89272488  0.10727512  0.75000000  1.0
  Cu  Cu2  1  0.67829505  0.32170495  0.75000000  1.0
  Cu  Cu3  1  0.32286090  0.67713910  0.25000000  1.0
  Sn  Sn4  1  0.24961095  0.75038905  0.75000000  1.0
  Sn  Sn5  1  0.74894709  0.25105291  0.25000000  1.0
  Sn  Sn6  1  0.54433003  0.45566997  0.75000000  1.0
  Sn  Sn7  1  0.45664709  0.54335291  0.25000000  1.0

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