Ho6Bi2Rh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-975589 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

Ho6Bi2Rh

MP-ID

mp-975589

Elements

Sites

Density

10.1072

g/cm³

Volume

248.16

Å³

Cell a

8.3371

Cell b

8.3371

Cell c

4.1226

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

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
21.32	4.1685	6.4	(2,-1,-1,0)
21.32	4.1685	6.4	(1,-2,1,0)
21.32	4.1685	6.4	(1,1,-2,0)
21.56	4.1226	18.4	(0,0,0,1)
30.50	2.9312	100.0	(2,-1,-1,1)
30.50	2.9312	100.0	(1,-2,1,1)
30.50	2.9312	100.0	(1,1,-2,1)
32.82	2.7289	28.6	(3,-2,-1,0)
32.82	2.7289	28.6	(3,-1,-2,0)
32.82	2.7289	28.6	(2,-3,1,0)
32.82	2.7289	28.6	(2,1,-3,0)
32.82	2.7289	28.6	(1,-3,2,0)
32.82	2.7289	28.6	(1,2,-3,0)
32.98	2.7159	71.7	(2,-2,0,1)
32.98	2.7159	71.7	(2,0,-2,1)
32.98	2.7159	71.7	(0,2,-2,1)
37.36	2.4067	40.4	(3,-3,0,0)
37.36	2.4067	40.4	(3,0,-3,0)
37.36	2.4067	40.4	(0,3,-3,0)
39.61	2.2756	21.1	(3,-2,-1,1)
39.61	2.2756	21.1	(3,-1,-2,1)
39.61	2.2756	21.1	(2,-3,1,1)
39.61	2.2756	42.1	(2,1,-3,1)
39.61	2.2756	21.1	(1,2,-3,1)

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Energy Properties

Formation Energy/atom

-0.60603

eV/atom

Energy/atom

-5.35385

eV/atom

Energy above Hull

0.0115

eV/atom

Uncorrected Energy

-38.3344

eV/atom

Volume/atom

27.57

Å³

c/a Ratio

0.4945

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.1786

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.012810

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.667

Element Family

Lanthanide

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

5.2626

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.906%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4193

smaller = more stable mixing

VEC

9.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.045

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.624

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.667

Related Tasks

Related computation task IDs (5)

aaadnahy aaadsvhp aaaelqfm aaaetxfu aaafwytd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-975589

Reference Citation

The crystal structure and related material properties of Ho6Bi2Rh were obtained from the Materials Project database (MP-ID: mp-975589, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Ho6Bi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33705953
_cell_length_b   8.33705147
_cell_length_c   4.12258787
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00006333
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho6Bi2Rh
_chemical_formula_sum   'Ho6 Bi2 Rh1'
_cell_volume   248.15650326
_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  0.60510401  0.00000000  0.50000000  1.0
  Ho  Ho1  1  0.00000100  0.60510501  0.50000000  1.0
  Ho  Ho2  1  0.39489399  0.39489399  0.50000000  1.0
  Ho  Ho3  1  0.23713221  -0.00000000  -0.00000000  1.0
  Ho  Ho4  1  -0.00000000  0.23713221  -0.00000000  1.0
  Ho  Ho5  1  0.76286879  0.76286879  0.00000000  1.0
  Bi  Bi6  1  0.33333400  0.66666700  0.00000000  1.0
  Bi  Bi7  1  0.66666800  0.33333600  0.00000000  1.0
  Rh  Rh8  1  0.99999800  0.99999700  0.50000000  1.0

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