Dy4Lu8Co5Sb

High-Entropy Materials HEA

MP-ID: mp-3296798 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Dy4Lu8Co5Sb

MP-ID

mp-3296798

Elements

Sites

Density

9.9123

g/cm³

Volume

413.14

Å³

Cell a

8.1313

Cell b

8.1313

Cell c

8.1313

α Angle

106.88

β Angle

109.93

γ Angle

111.64

Space Group

Immm

Point Group

mmm

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
13.56	6.5297	4.1	(0,1,-1)
26.52	3.3612	1.3	(2,-2,0)
26.52	3.3612	1.3	(0,0,2)
26.83	3.3233	10.7	(2,0,-2)
27.32	3.2648	4.1	(0,2,-2)
29.26	3.0518	6.0	(2,-2,-1)
29.26	3.0518	6.0	(1,-1,-2)
29.34	3.0446	13.4	(2,-1,-2)
30.16	2.9628	26.7	(2,-2,1)
30.34	2.9458	6.9	(1,-2,2)
30.78	2.9052	1.3	(2,1,-2)
30.78	2.9052	1.3	(1,2,-1)
30.89	2.8952	26.6	(1,2,-2)
33.09	2.7073	100.0	(3,-1,-1)
35.19	2.5501	1.6	(3,-2,-1)
35.37	2.5376	47.6	(3,-1,-2)
35.67	2.5169	21.1	(3,-2,0)
35.67	2.5169	21.1	(0,1,-3)
36.13	2.4858	25.2	(3,-1,0)
36.14	2.4851	2.4	(3,0,-2)
36.14	2.4851	2.4	(0,3,-1)
36.43	2.4665	21.9	(3,0,-1)
37.12	2.4219	14.4	(2,-2,-2)
38.57	2.3340	6.9	(2,-2,2)

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Energy Properties

Formation Energy/atom

-0.31383

eV/atom

Energy/atom

-29.44959

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.4496

eV/atom

Volume/atom

22.95

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.1635

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002820

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Lu · 0.444

Element Family

Lanthanide

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2110

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0686

J/mol·K

Ω Parameter

20.1776

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.059%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3115

smaller = more stable mixing

VEC

5.889

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.883

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8736

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfoxy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296798

Reference Citation

The crystal structure and related material properties of Dy4Lu8Co5Sb were obtained from the Materials Project database (MP-ID: mp-3296798, 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_Dy4Lu8Co5Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13131737
_cell_length_b   8.13131681
_cell_length_c   8.13131678
_cell_angle_alpha   106.87623525
_cell_angle_beta   109.93131684
_cell_angle_gamma   111.64171329
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy4Lu8Co5Sb
_chemical_formula_sum   'Dy4 Lu8 Co5 Sb1'
_cell_volume   413.13719108
_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  0.19934478  0.21528428  0.41462805  1.0
  Dy  Dy1  1  0.80065522  0.78471572  0.58537195  1.0
  Dy  Dy2  1  0.19934478  0.78471572  0.98405950  1.0
  Dy  Dy3  1  0.80065522  0.21528428  0.01594050  1.0
  Lu  Lu4  1  0.46517439  0.28534650  0.17982789  1.0
  Lu  Lu5  1  0.10551860  0.28534650  0.82017211  1.0
  Lu  Lu6  1  0.89448140  0.71465350  0.17982789  1.0
  Lu  Lu7  1  0.53482561  0.71465350  0.82017211  1.0
  Lu  Lu8  1  0.30706494  0.62052162  0.31345668  1.0
  Lu  Lu9  1  0.30706494  0.99360826  0.68654332  1.0
  Lu  Lu10  1  0.69293506  0.37947838  0.68654332  1.0
  Lu  Lu11  1  0.69293506  0.00639174  0.31345668  1.0
  Co  Co12  1  0.50000000  0.61141139  0.11141139  1.0
  Co  Co13  1  0.50000000  0.38858861  0.88858861  1.0
  Co  Co14  1  0.37915395  1.00000000  0.37915395  1.0
  Co  Co15  1  0.62084605  0.00000000  0.62084605  1.0
  Co  Co16  1  0.00000000  0.00000000  0.00000000  1.0
  Sb  Sb17  1  0.00000000  0.50000000  0.50000000  1.0

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