Dy10PtRhPb6

High-Entropy Materials HEA

MP-ID: mp-3296383 · Space group: P-31m (#162)

Materials Project API

Basic Information

Formula

Dy10PtRhPb6

MP-ID

mp-3296383

Elements

Sites

Density

10.6737

g/cm³

Volume

492.58

Å³

Cell a

9.1418

Cell b

9.1418

Cell c

6.8058

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-31m

Point Group

-3m

Crystal System

Trigonal

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
11.18	7.9170	1.4	(1,0,-1,0)
19.42	4.5709	1.1	(2,-1,-1,0)
22.46	3.9585	4.8	(2,0,-2,0)
23.44	3.7945	5.4	(2,-1,-1,1)
26.19	3.4029	14.9	(0,0,0,2)
29.86	2.9924	9.1	(3,-1,-2,0)
32.69	2.7393	98.3	(3,-1,-2,1)
32.81	2.7296	100.0	(2,-1,-1,2)
33.97	2.6390	46.9	(3,0,-3,0)
34.77	2.5805	4.3	(2,0,-2,2)
39.43	2.2855	3.2	(4,-2,-2,0)
40.13	2.2471	2.3	(2,1,-3,2)
40.13	2.2471	4.5	(3,-1,-2,2)
41.11	2.1958	1.5	(4,-1,-3,0)
41.69	2.1666	7.8	(4,-2,-2,1)
43.30	2.0897	20.5	(4,-1,-3,1)
44.59	2.0321	1.1	(2,-1,-1,3)
45.85	1.9793	2.1	(4,0,-4,0)
45.85	1.9793	1.0	(4,-4,0,0)
47.95	1.8973	6.5	(2,2,-4,2)
47.95	1.8973	12.9	(4,-2,-2,2)
49.40	1.8450	1.3	(4,-1,-3,2)
50.48	1.8078	29.1	(3,-1,-2,3)
52.12	1.7549	5.8	(5,-2,-3,1)

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Energy Properties

Formation Energy/atom

-0.82263

eV/atom

Energy/atom

-41.55334

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.5533

eV/atom

Volume/atom

27.37

Å³

c/a Ratio

0.7445

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0429

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000090

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0139

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4296

J/mol·K

Ω Parameter

7.6012

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.104%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5455

smaller = more stable mixing

VEC

7.944

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.521

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7314

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfohz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296383

Reference Citation

The crystal structure and related material properties of Dy10PtRhPb6 were obtained from the Materials Project database (MP-ID: mp-3296383, 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_Dy10PtRhPb6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14178125
_cell_length_b   9.14178128
_cell_length_c   6.80581811
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy10PtRhPb6
_chemical_formula_sum   'Dy10 Pt1 Rh1 Pb6'
_cell_volume   492.57530795
_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  0.24045582  0.00000000  0.24313136  1.0
  Dy  Dy1  1  0.75954418  1.00000000  0.75686864  1.0
  Dy  Dy2  1  0.00000000  0.24045582  0.24313136  1.0
  Dy  Dy3  1  1.00000000  0.75954418  0.75686864  1.0
  Dy  Dy4  1  0.75954418  0.75954418  0.24313136  1.0
  Dy  Dy5  1  0.24045582  0.24045582  0.75686864  1.0
  Dy  Dy6  1  0.33333300  0.66666700  0.00000000  1.0
  Dy  Dy7  1  0.66666700  0.33333300  0.00000000  1.0
  Dy  Dy8  1  0.66666700  0.33333300  0.50000000  1.0
  Dy  Dy9  1  0.33333300  0.66666700  0.50000000  1.0
  Pt  Pt10  1  0.00000000  0.00000000  0.50000000  1.0
  Rh  Rh11  1  0.00000000  0.00000000  0.00000000  1.0
  Pb  Pb12  1  0.59781381  1.00000000  0.25063501  1.0
  Pb  Pb13  1  0.40218619  0.00000000  0.74936499  1.0
  Pb  Pb14  1  1.00000000  0.59781381  0.25063501  1.0
  Pb  Pb15  1  0.00000000  0.40218619  0.74936499  1.0
  Pb  Pb16  1  0.40218619  0.40218619  0.25063501  1.0
  Pb  Pb17  1  0.59781381  0.59781381  0.74936499  1.0

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