DyCuSn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1072824 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

DyCuSn

MP-ID

mp-1072824

Elements

Sites

Density

8.7759

g/cm³

Volume

130.47

Å³

Cell a

4.5178

Cell b

4.5178

Cell c

7.3809

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

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 20)

2θ	d (Å)	I	hkl
22.73	3.9125	8.4	(1,0,-1,0)
25.77	3.4569	3.9	(1,0,-1,1)
25.77	3.4569	1.9	(1,-1,0,1)
33.38	2.6846	100.0	(1,0,-1,2)
39.91	2.2589	19.3	(1,1,-2,0)
39.91	2.2589	38.7	(2,-1,-1,0)
43.45	2.0828	1.6	(1,0,-1,3)
49.39	1.8452	10.5	(0,0,0,4)
52.98	1.7284	18.0	(2,0,-2,2)
52.98	1.7284	9.0	(2,-2,0,2)
55.02	1.6689	1.6	(1,0,-1,4)
65.29	1.4291	9.0	(1,1,-2,4)
65.29	1.4291	18.1	(2,-1,-1,4)
68.33	1.3727	8.4	(2,1,-3,2)
68.33	1.3727	16.8	(3,-1,-2,2)
72.47	1.3042	6.7	(3,0,-3,0)
72.47	1.3042	3.3	(3,-3,0,0)
82.13	1.1735	7.7	(1,0,-1,6)
86.09	1.1295	2.2	(2,2,-4,0)
86.09	1.1295	4.4	(4,-2,-2,0)

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Energy Properties

Formation Energy/atom

-0.55528

eV/atom

Energy/atom

-4.79766

eV/atom

Energy above Hull

0.0432

eV/atom

Uncorrected Energy

-4.7977

eV/atom

Volume/atom

21.74

Å³

c/a Ratio

1.6338

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0021

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

3.0340

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.680%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3356

smaller = more stable mixing

VEC

8.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.556

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.401

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.333

Related Tasks

Related computation task IDs (5)

aaacjbcx aaadswdq aaadxevs aaaeuoiw aaafwxgq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1072824

Reference Citation

The crystal structure and related material properties of DyCuSn were obtained from the Materials Project database (MP-ID: mp-1072824, 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_DyCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51780311
_cell_length_b   4.51780311
_cell_length_c   7.38094200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998690
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyCuSn
_chemical_formula_sum   'Dy2 Cu2 Sn2'
_cell_volume   130.46591991
_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
  Dy  Dy0  1  0.00000000  0.00000000  0.50000000  1.0
  Dy  Dy1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.25000000  1.0
  Cu  Cu3  1  0.66666700  0.33333300  0.75000000  1.0
  Sn  Sn4  1  0.33333300  0.66666700  0.75000000  1.0
  Sn  Sn5  1  0.66666700  0.33333300  0.25000000  1.0

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