Sr(CuSn)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1068891 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Sr(CuSn)2

MP-ID

mp-1068891

Elements

Sites

Density

6.7210

g/cm³

Volume

111.71

Å³

Cell a

6.0492

Cell b

6.0492

Cell c

4.8225

α Angle

73.12

β Angle

73.12

γ Angle

41.76

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
16.50	5.3721	28.1	(1,1,0)
19.37	4.5837	2.1	(0,0,1)
21.21	4.1884	1.9	(1,1,1)
22.21	4.0017	10.3	(1,0,0)
27.85	3.2038	50.1	(1,0,1)
29.28	3.0501	12.5	(1,1,-1)
31.33	2.8552	54.7	(1,0,-1)
32.50	2.7550	100.0	(2,1,0)
33.00	2.7145	66.0	(2,2,1)
33.71	2.6586	2.2	(2,1,1)
37.58	2.3935	23.4	(1,1,2)
39.31	2.2918	11.7	(0,0,2)
41.90	2.1560	48.8	(1,-1,0)
42.11	2.1457	26.1	(2,1,-1)
43.16	2.0961	34.3	(1,0,2)
43.20	2.0942	7.3	(2,2,2)
44.06	2.0555	21.6	(2,2,-1)
45.00	2.0145	27.1	(2,1,2)
45.32	2.0008	4.3	(2,0,0)
45.81	1.9809	11.0	(3,2,1)
47.26	1.9233	2.3	(3,2,0)
47.74	1.9051	2.6	(1,1,-2)
47.97	1.8964	24.8	(1,0,-2)
51.00	1.7907	2.1	(3,3,0)

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Energy Properties

Formation Energy/atom

-0.34507

eV/atom

Energy/atom

-3.92707

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.6323

eV/atom

Volume/atom

22.34

Å³

c/a Ratio

0.7972

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

Cu · 0.400

Element Family

3d-TM

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

1.6363

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.345%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3929

smaller = more stable mixing

VEC

6.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.120

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.606

Family

Cu-rich Multi-Component

Matrix Element

Cu · 0.400

Related Tasks

Related computation task IDs (5)

aaacivlt aaaemhjk aaaeqsbl aaafaliv aaafwwsy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1068891

Reference Citation

The crystal structure and related material properties of Sr(CuSn)2 were obtained from the Materials Project database (MP-ID: mp-1068891, 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_Sr(CuSn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04920852
_cell_length_b   6.04920852
_cell_length_c   4.82244996
_cell_angle_alpha   73.11975413
_cell_angle_beta   73.11975413
_cell_angle_gamma   41.75888683
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(CuSn)2
_chemical_formula_sum   'Sr1 Cu2 Sn2'
_cell_volume   111.70718872
_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  0.00000000  0.00000000  -0.00000000  1.0
  Cu  Cu1  1  0.74077414  0.74077414  0.86121426  1.0
  Cu  Cu2  1  0.25922586  0.25922586  0.13878574  1.0
  Sn  Sn3  1  0.35477533  0.35477533  0.57382507  1.0
  Sn  Sn4  1  0.64522467  0.64522467  0.42617493  1.0

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