Ho10GaB16Au3

High-Entropy Materials HEA

MP-ID: mp-3294328 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Ho10GaB16Au3

MP-ID

mp-3294328

Elements

Sites

Density

9.5723

g/cm³

Volume

430.72

Å³

Cell a

7.1640

Cell b

7.1640

Cell c

8.3925

α Angle

90.00

β Angle

90.00

γ Angle

89.79

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
10.54	8.3925	64.5	(0,0,1)
12.36	7.1639	4.5	(1,0,0)
16.27	5.4487	5.3	(1,0,1)
17.54	5.0566	5.9	(1,-1,0)
20.45	4.3426	1.1	(1,1,1)
20.51	4.3312	2.1	(1,-1,1)
24.59	3.6208	2.2	(1,0,2)
24.86	3.5820	16.4	(2,0,0)
27.07	3.2944	24.4	(2,0,1)
27.58	3.2339	4.2	(1,1,2)
27.62	3.2292	1.8	(1,-1,2)
27.81	3.2084	7.9	(2,1,0)
27.89	3.1992	9.3	(2,-1,0)
29.81	2.9969	40.9	(2,1,1)
29.89	2.9894	36.2	(2,-1,1)
31.99	2.7975	56.4	(0,0,3)
32.88	2.7244	78.5	(2,0,2)
35.21	2.5488	100.0	(2,1,2)
35.28	2.5442	94.2	(2,-1,2)
35.38	2.5374	7.8	(2,2,0)
35.51	2.5283	14.0	(2,-2,0)
36.71	2.4479	1.4	(1,-1,3)
37.14	2.4208	2.7	(2,-2,1)
39.22	2.2968	1.0	(3,0,1)

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Energy Properties

Formation Energy/atom

-0.75150

eV/atom

Energy/atom

-21.06992

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.0699

eV/atom

Volume/atom

14.36

Å³

c/a Ratio

1.1715

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

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

B · 0.533

Element Family

Metalloid-Nonmetal

Solute Fraction

0.467

Interstitial Fraction

0.533

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0451

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6889

J/mol·K

Ω Parameter

4.2159

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.193%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4400

smaller = more stable mixing

VEC

6.467

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.070

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7539

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflgy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294328

Reference Citation

The crystal structure and related material properties of Ho10GaB16Au3 were obtained from the Materials Project database (MP-ID: mp-3294328, 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_Ho10GaB16Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16394540
_cell_length_b   7.16394540
_cell_length_c   8.39246418
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.79477434
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho10GaB16Au3
_chemical_formula_sum   'Ho10 Ga1 B16 Au3'
_cell_volume   430.71623750
_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  0.68141821  0.17951201  0.21304924  1.0
  Ho  Ho1  1  0.32048799  0.81858179  0.78695076  1.0
  Ho  Ho2  1  0.32048799  0.81858179  0.21304924  1.0
  Ho  Ho3  1  0.81865710  0.68134290  0.21378083  1.0
  Ho  Ho4  1  0.81865710  0.68134290  0.78621917  1.0
  Ho  Ho5  1  0.68141821  0.17951201  0.78695076  1.0
  Ho  Ho6  1  0.18110972  0.31889028  0.78703075  1.0
  Ho  Ho7  1  0.18110972  0.31889028  0.21296925  1.0
  Ho  Ho8  1  0.00339839  0.00239113  0.50000000  1.0
  Ho  Ho9  1  0.49760887  0.49660161  0.50000000  1.0
  Ga  Ga10  1  0.61880670  0.88119330  0.50000000  1.0
  B  B11  1  0.17222946  0.03966225  0.00000000  1.0
  B  B12  1  0.82884451  0.95964765  0.00000000  1.0
  B  B13  1  0.95952230  0.17191622  0.00000000  1.0
  B  B14  1  0.32808378  0.54047770  0.00000000  1.0
  B  B15  1  0.04101547  0.82760503  0.00000000  1.0
  B  B16  1  0.67239497  0.45898453  0.00000000  1.0
  B  B17  1  0.54035235  0.67115549  0.00000000  1.0
  B  B18  1  0.46033775  0.32777054  0.00000000  1.0
  B  B19  1  0.09036893  0.59029824  0.00000000  1.0
  B  B20  1  0.90970176  0.40963107  0.00000000  1.0
  B  B21  1  0.41005694  0.08994306  0.00000000  1.0
  B  B22  1  0.59100781  0.90899219  0.00000000  1.0
  B  B23  1  0.00051568  0.99996189  0.15685600  1.0
  B  B24  1  0.00051568  0.99996189  0.84314400  1.0
  B  B25  1  0.50003811  0.49948432  0.84314400  1.0
  B  B26  1  0.50003811  0.49948432  0.15685600  1.0
  Au  Au27  1  0.12864256  0.63080057  0.50000000  1.0
  Au  Au28  1  0.86919943  0.37135744  0.50000000  1.0
  Au  Au29  1  0.37397339  0.12602661  0.50000000  1.0

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