Ho3Tm9Co5Pb

High-Entropy Materials HEA

MP-ID: mp-3296816 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Ho3Tm9Co5Pb

MP-ID

mp-3296816

Elements

Sites

Density

9.9739

g/cm³

Volume

419.06

Å³

Cell a

8.1691

Cell b

8.1691

Cell c

8.1694

α Angle

110.42

β Angle

111.08

γ Angle

106.94

Space Group

Point Group

Crystal System

Monoclinic

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
13.16	6.7297	2.0	(1,0,-1)
23.25	3.8263	2.6	(0,1,1)
23.25	3.8262	2.7	(2,-1,-1)
23.35	3.8103	1.6	(1,0,1)
23.35	3.8101	1.6	(2,-1,0)
26.49	3.3649	1.8	(2,0,-2)
26.61	3.3503	12.4	(2,0,0)
27.17	3.2822	2.0	(0,0,2)
27.17	3.2820	1.9	(2,-2,0)
29.17	3.0620	5.8	(2,1,-2)
29.17	3.0620	5.8	(1,2,-1)
29.19	3.0592	33.2	(2,1,-1)
30.19	2.9599	50.8	(2,-1,-2)
30.35	2.9454	5.0	(1,-1,-2)
30.35	2.9453	5.0	(2,-2,-1)
30.43	2.9377	3.1	(2,-1,1)
30.55	2.9259	27.3	(1,-1,2)
30.55	2.9258	27.4	(2,-2,1)
32.92	2.7205	99.5	(1,1,1)
32.93	2.7204	100.0	(3,-1,-1)
35.16	2.5527	47.4	(2,1,0)
35.16	2.5527	46.9	(3,0,-1)
35.64	2.5193	44.4	(2,0,-3)
35.64	2.5192	22.6	(3,-1,-2)

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Energy Properties

Formation Energy/atom

-0.25903

eV/atom

Energy/atom

-30.10291

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.1029

eV/atom

Volume/atom

23.28

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.9355

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002230

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1616

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6575

J/mol·K

Ω Parameter

11.6440

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.900%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3485

smaller = more stable mixing

VEC

11.056

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.429

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8379

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfoyq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296816

Reference Citation

The crystal structure and related material properties of Ho3Tm9Co5Pb were obtained from the Materials Project database (MP-ID: mp-3296816, 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_Ho3Tm9Co5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16909928
_cell_length_b   8.16909892
_cell_length_c   8.16942128
_cell_angle_alpha   110.42433551
_cell_angle_beta   111.08037598
_cell_angle_gamma   106.93727892
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Tm9Co5Pb
_chemical_formula_sum   'Ho3 Tm9 Co5 Pb1'
_cell_volume   419.06192759
_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
  Ho  Ho0  1  0.28727155  0.18447440  0.47174595  1.0
  Ho  Ho1  1  0.71347766  0.81625699  0.52973566  1.0
  Ho  Ho2  1  0.28689732  0.81534697  0.10224329  1.0
  Tm  Tm3  1  0.71354469  0.18441378  0.89796047  1.0
  Tm  Tm4  1  0.61879300  0.31197178  0.30578191  1.0
  Tm  Tm5  1  0.38156356  0.68820370  0.69369836  1.0
  Tm  Tm6  1  0.00549466  0.31213380  0.69369836  1.0
  Tm  Tm7  1  0.99380912  0.68698891  0.30578191  1.0
  Tm  Tm8  1  0.21150515  0.40830209  0.19605112  1.0
  Tm  Tm9  1  0.78729407  0.58985537  0.80314645  1.0
  Tm  Tm10  1  0.21329207  0.01585238  0.80314645  1.0
  Tm  Tm11  1  0.78774703  0.98454597  0.19605112  1.0
  Co  Co12  1  0.99879306  0.37986206  0.37865512  1.0
  Co  Co13  1  0.00039814  0.61987940  0.62027754  1.0
  Co  Co14  1  0.38940398  0.88991726  0.50170786  1.0
  Co  Co15  1  0.61179060  0.11230388  0.50170786  1.0
  Co  Co16  1  0.99886741  0.99954668  0.99841409  1.0
  Pb  Pb17  1  0.50005491  0.50014357  0.00019849  1.0

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