Ho5(InBi)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294607 · Space group: Cmce (#64)

Materials Project API

Basic Information

Formula

Ho5(InBi)2

MP-ID

mp-3294607

Elements

Sites

Density

9.4099

g/cm³

Volume

519.61

Å³

Cell a

8.8148

Cell b

8.8148

Cell c

8.1599

α Angle

90.00

β Angle

90.00

γ Angle

124.96

Space Group

Cmce

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
16.39	5.4089	4.1	(1,0,-1,1)
21.78	4.0800	9.6	(0,0,0,2)
21.82	4.0728	8.3	(1,1,-2,0)
23.00	3.8660	9.8	(2,-1,-1,1)
24.43	3.6441	25.7	(1,1,-2,1)
24.61	3.6170	7.6	(1,-1,0,2)
24.65	3.6120	7.6	(2,0,-2,0)
25.07	3.5525	13.0	(1,0,-1,2)
27.00	3.3029	9.2	(0,2,-2,1)
27.00	3.3029	9.2	(2,0,-2,1)
29.90	2.9886	100.0	(2,-1,-1,2)
31.03	2.8824	80.7	(1,1,-2,2)
31.70	2.8225	58.5	(2,-2,0,2)
31.73	2.8201	60.5	(3,-1,-2,0)
32.58	2.7487	76.2	(3,-2,-1,1)
33.12	2.7045	10.0	(2,0,-2,2)
33.62	2.6654	48.8	(1,-3,2,1)
33.62	2.6654	48.8	(3,-1,-2,1)
34.42	2.6058	19.9	(3,-3,0,0)
35.26	2.5455	78.3	(1,0,-1,3)
35.31	2.5421	79.5	(2,1,-3,1)
37.90	2.3741	32.7	(3,-2,-1,2)
38.82	2.3199	5.1	(3,-1,-2,2)
38.95	2.3121	12.0	(2,-1,-1,3)

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Energy Properties

Formation Energy/atom

-0.78918

eV/atom

Energy/atom

-37.07456

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.0746

eV/atom

Volume/atom

28.87

Å³

c/a Ratio

0.9257

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9611

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003770

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9950

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2727

J/mol·K

Ω Parameter

3.6325

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.633%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3424

smaller = more stable mixing

VEC

7.889

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.687

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9057

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.543

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.556

Related Tasks

Related computation task IDs (1)

aaahflrr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294607

Reference Citation

The crystal structure and related material properties of Ho5(InBi)2 were obtained from the Materials Project database (MP-ID: mp-3294607, 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_Ho5(InBi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81479047
_cell_length_b   8.81479141
_cell_length_c   8.15989652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.96159509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho5(InBi)2
_chemical_formula_sum   'Ho10 In4 Bi4'
_cell_volume   519.60927170
_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
  Ho  Ho0  1  0.03691194  0.30016152  0.33339607  1.0
  Ho  Ho1  1  0.96308806  0.69983848  0.66660393  1.0
  Ho  Ho2  1  0.46308806  0.19983848  0.83339607  1.0
  Ho  Ho3  1  0.80016152  0.53691194  0.16660393  1.0
  Ho  Ho4  1  0.53691194  0.80016152  0.16660393  1.0
  Ho  Ho5  1  0.19983848  0.46308806  0.83339607  1.0
  Ho  Ho6  1  0.69983848  0.96308806  0.66660393  1.0
  Ho  Ho7  1  0.30016152  0.03691194  0.33339607  1.0
  Ho  Ho8  1  0.00000000  0.00000000  0.00000000  1.0
  Ho  Ho9  1  0.50000000  0.50000000  0.50000000  1.0
  In  In10  1  0.37024141  0.37024141  0.12921046  1.0
  In  In11  1  0.62975859  0.62975859  0.87078954  1.0
  In  In12  1  0.12975859  0.12975859  0.62921046  1.0
  In  In13  1  0.87024141  0.87024141  0.37078954  1.0
  Bi  Bi14  1  0.79436614  0.20563386  0.00000000  1.0
  Bi  Bi15  1  0.20563386  0.79436614  0.00000000  1.0
  Bi  Bi16  1  0.70563386  0.29436614  0.50000000  1.0
  Bi  Bi17  1  0.29436614  0.70563386  0.50000000  1.0

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