DySnRh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079974 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

DySnRh

MP-ID

mp-1079974

Elements

Sites

Density

10.2134

g/cm³

Volume

187.35

Å³

Cell a

7.5687

Cell b

7.5687

Cell c

3.7765

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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 24)

2θ	d (Å)	I	hkl
23.51	3.7843	1.1	(2,-1,-1,0)
27.21	3.2773	6.1	(2,0,-2,0)
33.52	2.6732	100.0	(2,-1,-1,1)
36.26	2.4774	45.3	(3,-1,-2,0)
36.29	2.4752	80.5	(2,0,-2,1)
41.32	2.1849	26.0	(3,0,-3,0)
41.32	2.1849	13.0	(3,-3,0,0)
43.70	2.0715	18.9	(3,-1,-2,1)
48.09	1.8922	2.4	(4,-2,-2,0)
48.19	1.8883	21.8	(0,0,0,2)
50.18	1.8179	13.9	(4,-1,-3,0)
54.22	1.6917	4.8	(4,-2,-2,1)
56.13	1.6387	1.7	(4,0,-4,0)
56.15	1.6380	15.3	(4,-1,-3,1)
56.22	1.6361	1.6	(2,0,-2,2)
61.68	1.5037	1.0	(3,2,-5,0)
61.68	1.5037	2.0	(5,-2,-3,0)
61.71	1.5033	2.2	(4,0,-4,1)
61.77	1.5018	19.7	(3,-1,-2,2)
65.23	1.4304	2.3	(5,-1,-4,0)
65.23	1.4304	1.2	(5,-4,-1,0)
65.31	1.4287	20.1	(3,0,-3,2)
66.98	1.3971	10.5	(3,2,-5,1)
66.98	1.3971	21.0	(5,-2,-3,1)

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Energy Properties

Formation Energy/atom

-0.89286

eV/atom

Energy/atom

-6.22361

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.9267

eV/atom

Volume/atom

20.82

Å³

c/a Ratio

0.4990

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

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

4.6136

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.969%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4439

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.918

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.333

Related Tasks

Related computation task IDs (5)

aaadncmg aaadsyxn aaaemaji aaaeucfl aaafxdla

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079974

Reference Citation

The crystal structure and related material properties of DySnRh were obtained from the Materials Project database (MP-ID: mp-1079974, 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_DySnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56868219
_cell_length_b   7.56868219
_cell_length_c   3.77650365
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999620
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DySnRh
_chemical_formula_sum   'Dy3 Sn3 Rh3'
_cell_volume   187.35319153
_cell_formula_units_Z   3
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  0.40604034  0.40604034  0.50000000  1.0
  Dy  Dy1  1  0.59395966  0.00000000  0.50000000  1.0
  Dy  Dy2  1  0.00000000  0.59395966  0.50000000  1.0
  Sn  Sn3  1  0.73712073  0.73712073  0.00000000  1.0
  Sn  Sn4  1  0.26287927  0.00000000  -0.00000000  1.0
  Sn  Sn5  1  0.00000000  0.26287927  -0.00000000  1.0
  Rh  Rh6  1  0.66666700  0.33333300  0.00000000  1.0
  Rh  Rh7  1  0.33333300  0.66666700  0.00000000  1.0
  Rh  Rh8  1  -0.00000000  -0.00000000  0.50000000  1.0

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