Ho10In5BiBr2

High-Entropy Materials HEA

MP-ID: mp-3296728 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Ho10In5BiBr2

MP-ID

mp-3296728

Elements

Sites

Density

8.9199

g/cm³

Volume

482.56

Å³

Cell a

9.1195

Cell b

9.1195

Cell c

6.7141

α Angle

90.00

β Angle

90.00

γ Angle

120.21

Space Group

Amm2

Point Group

mm2

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
11.23	7.8812	1.9	(1,0,-1,0)
22.56	3.9406	1.7	(2,0,-2,0)
23.59	3.7721	2.3	(2,-1,-1,1)
26.55	3.3570	16.0	(0,0,0,2)
28.89	3.0900	4.3	(1,-1,0,2)
28.91	3.0885	2.9	(1,0,-1,2)
29.92	2.9868	8.0	(3,-2,-1,0)
29.96	2.9828	4.6	(3,-1,-2,0)
30.03	2.9762	4.0	(2,1,-3,0)
32.82	2.7290	25.5	(3,-2,-1,1)
32.86	2.7259	37.0	(3,-1,-2,1)
32.92	2.7209	37.3	(2,1,-3,1)
33.14	2.7034	100.0	(2,-1,-1,2)
33.18	2.7004	44.4	(1,1,-2,2)
34.02	2.6353	33.3	(3,-3,0,0)
34.13	2.6271	59.7	(3,0,-3,0)
35.12	2.5555	1.9	(2,0,-2,2)
39.53	2.2799	1.7	(4,-2,-2,0)
43.42	2.0839	7.3	(4,-3,-1,1)
43.50	2.0803	8.1	(4,-1,-3,1)
43.57	2.0771	6.2	(3,1,-4,1)
45.91	1.9765	1.3	(4,-4,0,0)
46.07	1.9703	2.3	(4,0,-4,0)
48.25	1.8860	21.9	(4,-2,-2,2)

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Energy Properties

Formation Energy/atom

-0.83675

eV/atom

Energy/atom

-30.09932

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.0993

eV/atom

Volume/atom

26.81

Å³

c/a Ratio

0.7362

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0023

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

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

1.0871

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0379

J/mol·K

Ω Parameter

12.2971

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.087%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5477

smaller = more stable mixing

VEC

7.778

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.840

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7842

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfovg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296728

Reference Citation

The crystal structure and related material properties of Ho10In5BiBr2 were obtained from the Materials Project database (MP-ID: mp-3296728, 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_Ho10In5BiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11951540
_cell_length_b   9.11951541
_cell_length_c   6.71408826
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.20660187
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho10In5BiBr2
_chemical_formula_sum   'Ho10 In5 Bi1 Br2'
_cell_volume   482.56219055
_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  0.26713004  0.00180845  0.75000000  1.0
  Ho  Ho1  1  0.73792424  0.00839686  0.25000000  1.0
  Ho  Ho2  1  0.00180845  0.26713004  0.75000000  1.0
  Ho  Ho3  1  0.00839686  0.73792424  0.25000000  1.0
  Ho  Ho4  1  0.73385896  0.73385896  0.75000000  1.0
  Ho  Ho5  1  0.26115645  0.26115645  0.25000000  1.0
  Ho  Ho6  1  0.32848006  0.66746851  0.50368912  1.0
  Ho  Ho7  1  0.66746851  0.32848006  0.50368912  1.0
  Ho  Ho8  1  0.66746851  0.32848006  0.99631088  1.0
  Ho  Ho9  1  0.32848006  0.66746851  0.99631088  1.0
  In  In10  1  0.60801169  0.99810897  0.75000000  1.0
  In  In11  1  0.39408608  0.00171361  0.25000000  1.0
  In  In12  1  0.99810897  0.60801169  0.75000000  1.0
  In  In13  1  0.00171361  0.39408608  0.25000000  1.0
  In  In14  1  0.39069744  0.39069744  0.75000000  1.0
  Bi  Bi15  1  0.61005298  0.61005298  0.25000000  1.0
  Br  Br16  1  0.99757805  0.99757805  0.49938049  1.0
  Br  Br17  1  0.99757805  0.99757805  0.00061951  1.0

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