Dy2B(PtRh2)2

High-Entropy Materials HEA

MP-ID: mp-3248817 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

Dy2B(PtRh2)2

MP-ID

mp-3248817

Elements

Sites

Density

13.6200

g/cm³

Volume

138.70

Å³

Cell a

5.8182

Cell b

5.8182

Cell c

5.7898

α Angle

60.16

β Angle

60.16

γ Angle

59.78

Space Group

Imm2

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
18.72	4.7414	13.1	(1,1,1)
21.69	4.0974	3.0	(1,0,1)
30.74	2.9090	2.0	(1,2,1)
30.74	2.9090	2.0	(2,1,1)
36.12	2.4869	2.7	(2,2,1)
36.32	2.4737	5.5	(2,0,1)
37.91	2.3733	50.1	(0,2,0)
37.91	2.3733	50.1	(2,0,0)
37.95	2.3707	100.0	(2,2,2)
43.83	2.0654	34.3	(2,2,0)
44.21	2.0487	66.5	(2,0,2)
48.21	1.8877	1.4	(1,3,1)
48.21	1.8877	1.4	(3,1,1)
48.44	1.8793	1.5	(2,2,3)
58.39	1.5805	1.0	(3,3,3)
64.01	1.4545	21.9	(2,4,2)
64.01	1.4545	21.9	(4,2,2)
64.25	1.4498	10.8	(2,-2,0)
64.36	1.4475	10.7	(2,2,4)
76.60	1.2438	6.4	(2,4,0)
76.60	1.2438	6.4	(4,2,0)
76.63	1.2434	12.8	(4,4,2)
77.11	1.2369	12.4	(0,4,2)
77.11	1.2369	12.4	(2,-2,-2)

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Energy Properties

Formation Energy/atom

-0.93324

eV/atom

Energy/atom

-31.02549

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.0255

eV/atom

Volume/atom

15.41

Å³

c/a Ratio

0.9951

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

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

Rh · 0.444

Element Family

4d-TM

Solute Fraction

0.556

Interstitial Fraction

0.111

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2730

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.5840

J/mol·K

Ω Parameter

1.4891

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.071%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4328

smaller = more stable mixing

VEC

8.778

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.799

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9183

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcvyn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3248817

Reference Citation

The crystal structure and related material properties of Dy2B(PtRh2)2 were obtained from the Materials Project database (MP-ID: mp-3248817, 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_Dy2B(PtRh2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81817777
_cell_length_b   5.81817878
_cell_length_c   5.78982780
_cell_angle_alpha   60.16106133
_cell_angle_beta   60.16105563
_cell_angle_gamma   59.78496319
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2B(PtRh2)2
_chemical_formula_sum   'Dy2 B1 Pt2 Rh4'
_cell_volume   138.69586180
_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
  Dy  Dy0  1  0.25017471  0.25017471  0.25076444  1.0
  Dy  Dy1  1  0.74982529  0.74982529  0.75111287  1.0
  B  B2  1  0.50000000  0.50000000  0.49232491  1.0
  Pt  Pt3  1  0.75774764  0.24225136  0.75842713  1.0
  Pt  Pt4  1  0.24225136  0.75774764  0.75842713  1.0
  Rh  Rh5  1  0.75835059  0.24164841  0.24301923  1.0
  Rh  Rh6  1  0.24164841  0.75835059  0.24301923  1.0
  Rh  Rh7  1  0.75527788  0.75527788  0.24617316  1.0
  Rh  Rh8  1  0.24472112  0.24472112  0.75672892  1.0

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