Dy2LuSc2Pb3

High-Entropy Materials HEA

MP-ID: mp-3296639 · Space group: Ama2 (#40)

Materials Project API

Basic Information

Formula

Dy2LuSc2Pb3

MP-ID

mp-3296639

Elements

Sites

Density

9.4723

g/cm³

Volume

424.76

Å³

Cell a

8.8015

Cell b

8.7851

Cell c

6.3393

α Angle

90.00

β Angle

90.00

γ Angle

119.94

Space Group

Ama2

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
20.18	4.4007	43.0	(2,-1,0)
20.22	4.3925	20.8	(1,-2,0)
23.33	3.8135	1.7	(2,0,0)
23.37	3.8064	3.7	(2,-2,0)
24.63	3.6150	9.7	(2,-1,1)
24.66	3.6105	4.8	(1,-2,1)
28.15	3.1697	100.0	(0,0,2)
30.54	2.9270	1.7	(1,0,2)
30.55	2.9262	4.2	(1,-1,2)
31.03	2.8820	10.5	(3,-1,0)
31.06	2.8797	11.0	(3,-2,0)
31.10	2.8758	10.5	(2,-3,0)
34.18	2.6236	87.2	(3,-1,1)
34.20	2.6218	91.6	(3,-2,1)
34.24	2.6190	86.4	(2,-3,1)
34.88	2.5720	56.0	(2,-1,2)
34.91	2.5703	27.4	(1,-2,2)
35.30	2.5423	14.9	(3,0,0)
35.37	2.5376	31.2	(3,-3,0)
36.87	2.4376	3.9	(2,0,2)
36.90	2.4357	8.1	(2,-2,2)
41.02	2.2004	1.2	(4,-2,0)
42.39	2.1323	4.0	(3,-1,2)
42.41	2.1314	4.2	(3,-2,2)

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Energy Properties

Formation Energy/atom

-0.66247

eV/atom

Energy/atom

-37.37445

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.3745

eV/atom

Volume/atom

26.55

Å³

c/a Ratio

0.7203

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9574

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004610

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pb · 0.375

Element Family

PostTransition-Noble

Solute Fraction

0.625

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3209

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.9819

J/mol·K

Ω Parameter

1.7076

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.278%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5079

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.614

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9528

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahforv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296639

Reference Citation

The crystal structure and related material properties of Dy2LuSc2Pb3 were obtained from the Materials Project database (MP-ID: mp-3296639, 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_Dy2LuSc2Pb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80146804
_cell_length_b   8.78505582
_cell_length_c   6.33930255
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.93833962
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2LuSc2Pb3
_chemical_formula_sum   'Dy4 Lu2 Sc4 Pb6'
_cell_volume   424.75769764
_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  0.24043531  0.00008778  0.25000000  1.0
  Dy  Dy1  1  0.24043531  0.24034853  0.75000000  1.0
  Dy  Dy2  1  0.99933111  0.76203103  0.75000000  1.0
  Dy  Dy3  1  0.99933111  0.23730007  0.25000000  1.0
  Lu  Lu4  1  0.76162487  0.76222504  0.25000000  1.0
  Lu  Lu5  1  0.76162487  0.99939983  0.75000000  1.0
  Sc  Sc6  1  0.33222455  0.66611278  0.00000000  1.0
  Sc  Sc7  1  0.66679211  0.33339606  0.50000000  1.0
  Sc  Sc8  1  0.66679211  0.33339606  0.00000000  1.0
  Sc  Sc9  1  0.33222455  0.66611278  0.50000000  1.0
  Pb  Pb10  1  0.60231339  0.99757385  0.25000000  1.0
  Pb  Pb11  1  0.60231339  0.60474054  0.75000000  1.0
  Pb  Pb12  1  0.99764894  0.39504655  0.75000000  1.0
  Pb  Pb13  1  0.99764894  0.60260239  0.25000000  1.0
  Pb  Pb14  1  0.39962873  0.40010950  0.25000000  1.0
  Pb  Pb15  1  0.39962873  0.99951823  0.75000000  1.0

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