Tb4Dy8Co5Pb

High-Entropy Materials HEA

MP-ID: mp-3295898 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Tb4Dy8Co5Pb

MP-ID

mp-3295898

Elements

Sites

Density

9.2150

g/cm³

Volume

439.25

Å³

Cell a

8.2976

Cell b

8.2976

Cell c

8.2976

α Angle

107.22

β Angle

110.25

γ Angle

110.96

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
12.96	6.8321	2.0	(1,-1,0)
18.70	4.7442	1.3	(1,-1,1)
18.87	4.7019	1.3	(1,1,-1)
22.86	3.8909	5.9	(2,-1,0)
22.96	3.8733	1.6	(2,0,-1)
22.96	3.8733	1.6	(0,2,-1)
26.09	3.4161	1.6	(2,-2,0)
26.21	3.4002	5.1	(2,0,-2)
26.21	3.4002	5.1	(0,2,0)
26.69	3.3396	3.4	(2,0,0)
28.78	3.1016	10.6	(2,-2,-1)
28.81	3.0986	18.2	(2,-1,-2)
28.81	3.0986	18.2	(1,-2,-1)
29.67	3.0112	26.6	(2,-2,1)
29.67	3.0112	26.6	(1,-1,2)
29.80	2.9978	9.4	(2,-1,1)
29.91	2.9869	4.0	(2,1,-2)
30.02	2.9764	57.0	(2,1,-1)
32.39	2.7637	100.0	(3,-1,-1)
32.39	2.7637	100.0	(1,-3,1)
34.57	2.5943	2.3	(3,-2,-1)
34.65	2.5891	49.1	(3,-1,-2)
34.65	2.5891	49.1	(1,-3,0)
35.05	2.5604	69.9	(3,-2,0)

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Energy Properties

Formation Energy/atom

-0.22692

eV/atom

Energy/atom

-28.18339

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.1834

eV/atom

Volume/atom

24.40

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.0041

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002290

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 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

11.5101

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.900%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3808

smaller = more stable mixing

VEC

9.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.429

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8736

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnpi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295898

Reference Citation

The crystal structure and related material properties of Tb4Dy8Co5Pb were obtained from the Materials Project database (MP-ID: mp-3295898, 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_Tb4Dy8Co5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29756401
_cell_length_b   8.29756250
_cell_length_c   8.29756343
_cell_angle_alpha   107.21844074
_cell_angle_beta   110.25488072
_cell_angle_gamma   110.96439221
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4Dy8Co5Pb
_chemical_formula_sum   'Tb4 Dy8 Co5 Pb1'
_cell_volume   439.24927294
_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
  Tb  Tb0  1  0.47348490  0.28956348  0.18392142  1.0
  Tb  Tb1  1  0.10564207  0.28956348  0.81607858  1.0
  Tb  Tb2  1  0.89435793  0.71043652  0.18392142  1.0
  Tb  Tb3  1  0.52651510  0.71043652  0.81607858  1.0
  Dy  Dy4  1  0.30646930  0.61906230  0.31259299  1.0
  Dy  Dy5  1  0.30646930  0.99387731  0.68740701  1.0
  Dy  Dy6  1  0.69353070  0.38093770  0.68740701  1.0
  Dy  Dy7  1  0.69353070  0.00612269  0.31259299  1.0
  Dy  Dy8  1  0.19611820  0.20981344  0.40593264  1.0
  Dy  Dy9  1  0.80388180  0.79018656  0.59406736  1.0
  Dy  Dy10  1  0.19611820  0.79018656  0.98630376  1.0
  Dy  Dy11  1  0.80388180  0.20981344  0.01369624  1.0
  Co  Co12  1  0.50000000  0.61036028  0.11036028  1.0
  Co  Co13  1  0.50000000  0.38963972  0.88963972  1.0
  Co  Co14  1  0.38128876  1.00000000  0.38128876  1.0
  Co  Co15  1  0.61871124  0.00000000  0.61871124  1.0
  Co  Co16  1  0.00000000  0.00000000  0.00000000  1.0
  Pb  Pb17  1  0.00000000  0.50000000  0.50000000  1.0

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