TbHo11Co5Bi

High-Entropy Materials HEA

MP-ID: mp-3294763 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

TbHo11Co5Bi

MP-ID

mp-3294763

Elements

Sites

Density

9.4556

g/cm³

Volume

434.96

Å³

Cell a

8.2725

Cell b

8.2725

Cell c

8.2700

α Angle

111.05

β Angle

110.42

γ Angle

106.98

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

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
13.00	6.8125	1.1	(0,1,-1)
13.00	6.8125	1.1	(1,0,0)
18.80	4.7190	2.3	(1,-1,1)
18.95	4.6819	2.2	(1,-1,-1)
22.95	3.8747	3.5	(1,-2,1)
22.95	3.8746	3.5	(2,-1,0)
22.96	3.8734	3.3	(0,1,-2)
22.96	3.8734	3.3	(1,0,1)
23.05	3.8592	2.2	(1,-2,0)
23.05	3.8592	2.2	(2,-1,-1)
23.05	3.8579	2.2	(1,0,-2)
23.05	3.8579	2.2	(0,1,1)
26.16	3.4063	1.8	(0,2,-2)
26.16	3.4062	1.8	(2,0,0)
26.27	3.3922	10.6	(2,0,-2)
26.27	3.3922	10.6	(0,2,0)
26.82	3.3244	3.2	(2,-2,0)
26.83	3.3229	3.4	(0,0,2)
28.81	3.0992	10.4	(1,2,-2)
28.81	3.0992	10.4	(2,1,-1)
28.83	3.0965	36.4	(2,1,-2)
28.83	3.0965	36.4	(1,2,-1)
29.81	2.9967	52.1	(1,-2,2)
29.81	2.9967	52.1	(2,-1,1)

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Energy Properties

Formation Energy/atom

-0.25910

eV/atom

Energy/atom

-29.01436

eV/atom

Energy above Hull

0.0003

eV/atom

Uncorrected Energy

-29.0144

eV/atom

Volume/atom

24.16

Å³

c/a Ratio

0.9997

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.6187

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.003720

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.611

Element Family

Lanthanide

Solute Fraction

0.389

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9779

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1305

J/mol·K

Ω Parameter

9.5397

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.814%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3252

smaller = more stable mixing

VEC

10.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.425

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7054

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflxr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294763

Reference Citation

The crystal structure and related material properties of TbHo11Co5Bi were obtained from the Materials Project database (MP-ID: mp-3294763, 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_TbHo11Co5Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27244607
_cell_length_b   8.27247597
_cell_length_c   8.26995076
_cell_angle_alpha   111.04984762
_cell_angle_beta   110.42465590
_cell_angle_gamma   106.98165824
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbHo11Co5Bi
_chemical_formula_sum   'Tb1 Ho11 Co5 Bi1'
_cell_volume   434.96129930
_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  0.81753070  0.71319109  0.53072134  1.0
  Ho  Ho1  1  0.18214514  0.28668620  0.46882885  1.0
  Ho  Ho2  1  0.18293995  0.71277945  0.89571955  1.0
  Ho  Ho3  1  0.81789341  0.28631044  0.10420140  1.0
  Ho  Ho4  1  0.69027145  0.38181416  0.69191769  1.0
  Ho  Ho5  1  0.30884621  0.61776127  0.30807380  1.0
  Ho  Ho6  1  0.69031913  0.99924240  0.30808223  1.0
  Ho  Ho7  1  0.31010846  0.00165989  0.69192609  1.0
  Ho  Ho8  1  0.59236262  0.79102123  0.80217829  1.0
  Ho  Ho9  1  0.40590280  0.20795826  0.19732523  1.0
  Ho  Ho10  1  0.98935871  0.79141109  0.19733007  1.0
  Ho  Ho11  1  0.01115058  0.20980535  0.80218069  1.0
  Co  Co12  1  0.61823679  0.00134351  0.61958683  1.0
  Co  Co13  1  0.38155324  0.99942745  0.38099299  1.0
  Co  Co14  1  0.11068859  0.60904362  0.50021251  1.0
  Co  Co15  1  0.89119369  0.38954388  0.50020531  1.0
  Co  Co16  1  0.99952767  0.00101843  0.00056434  1.0
  Bi  Bi17  1  0.49996985  0.49998329  0.99995080  1.0

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