Sm(CuSn)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079204 · Space group: P4/nmm (#129)

Materials Project API

Basic Information

Formula

Sm(CuSn)2

MP-ID

mp-1079204

Elements

Sites

Density

8.3045

g/cm³

Volume

205.90

Å³

Cell a

4.3956

Cell b

4.3956

Cell c

10.6571

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/nmm

Point Group

4/mmm

Crystal System

Tetragonal

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
25.07	3.5524	5.4	(0,0,3)
26.28	3.3908	1.3	(1,0,2)
28.72	3.1081	13.2	(1,1,0)
29.95	2.9838	10.8	(1,1,1)
32.40	2.7629	60.2	(1,0,3)
33.37	2.6848	100.0	(1,1,2)
33.64	2.6643	4.2	(0,0,4)
39.55	2.2784	1.5	(1,0,4)
41.07	2.1978	64.0	(2,0,0)
44.81	2.0228	19.6	(1,1,4)
47.40	1.9178	26.3	(1,0,5)
48.72	1.8690	4.1	(2,0,3)
53.26	1.7200	29.6	(2,1,3)
54.09	1.6954	4.3	(2,0,4)
55.83	1.6468	2.9	(1,0,6)
59.48	1.5541	21.4	(2,2,0)
59.99	1.5421	11.9	(1,1,6)
64.48	1.4450	20.8	(2,1,5)
65.57	1.4238	1.9	(2,2,3)
67.37	1.3900	2.3	(3,1,0)
68.02	1.3783	2.7	(3,1,1)
69.38	1.3545	6.7	(3,0,3)
69.94	1.3450	23.3	(3,1,2)
70.10	1.3424	2.0	(2,2,4)

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Energy Properties

Formation Energy/atom

-0.38950

eV/atom

Energy/atom

-4.57673

eV/atom

Energy above Hull

0.0026

eV/atom

Uncorrected Energy

-20.6123

eV/atom

Volume/atom

20.59

Å³

c/a Ratio

2.4245

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

1.7374

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.068%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3052

smaller = more stable mixing

VEC

7.200

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

0.605

Family

Cu-rich Multi-Component

Matrix Element

Cu · 0.400

Related Tasks

Related computation task IDs (5)

aaadmwsi aaadsvht aaaemupb aaaeucpv aaafsdtx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079204

Reference Citation

The crystal structure and related material properties of Sm(CuSn)2 were obtained from the Materials Project database (MP-ID: mp-1079204, 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_Sm(CuSn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39555498
_cell_length_b   4.39555498
_cell_length_c   10.65704944
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm(CuSn)2
_chemical_formula_sum   'Sm2 Cu4 Sn4'
_cell_volume   205.90382470
_cell_formula_units_Z   2
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
  Sm  Sm0  1  -0.00000000  0.50000000  0.23836132  1.0
  Sm  Sm1  1  0.50000000  -0.00000000  0.76163868  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu4  1  -0.00000000  0.50000000  0.63702695  1.0
  Cu  Cu5  1  0.50000000  0.00000000  0.36297305  1.0
  Sn  Sn6  1  -0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn7  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn8  1  0.00000000  0.50000000  0.87216543  1.0
  Sn  Sn9  1  0.50000000  0.00000000  0.12783457  1.0

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