Ho10NiAg3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292797 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Ho10NiAg3

MP-ID

mp-3292797

Elements

Sites

Density

9.2928

g/cm³

Volume

726.06

Å³

Cell a

9.3908

Cell b

9.3908

Cell c

9.5069

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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
21.66	4.1039	3.1	(1,0,-1,2)
26.69	3.3405	1.5	(2,-1,-1,2)
28.89	3.0900	20.1	(2,0,-2,2)
29.05	3.0739	27.2	(3,-1,-2,0)
29.05	3.0739	5.4	(2,1,-3,0)
30.27	2.9527	49.2	(1,0,-1,3)
30.57	2.9248	5.3	(3,-1,-2,1)
33.04	2.7109	7.7	(3,-3,0,0)
33.04	2.7109	15.4	(3,0,-3,0)
34.40	2.6070	100.0	(3,0,-3,1)
34.76	2.5812	69.5	(3,-2,-1,2)
34.76	2.5812	69.5	(3,-1,-2,2)
35.93	2.4996	52.9	(2,0,-2,3)
37.85	2.3767	15.2	(0,0,0,4)
38.22	2.3549	2.0	(3,0,-3,2)
38.34	2.3477	17.5	(4,-2,-2,0)
39.50	2.2813	1.2	(1,0,-1,4)
40.90	2.2064	6.1	(3,-1,-2,3)
42.64	2.1205	1.2	(2,-1,-1,4)
44.14	2.0519	7.7	(2,0,-2,4)
44.46	2.0378	1.9	(4,-1,-3,2)
44.56	2.0332	2.0	(4,0,-4,0)
48.71	1.8693	6.5	(4,0,-4,2)
48.81	1.8658	1.8	(5,-2,-3,0)

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Energy Properties

Formation Energy/atom

-0.25496

eV/atom

Energy/atom

-29.17373

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.1737

eV/atom

Volume/atom

25.93

Å³

c/a Ratio

1.0124

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0009

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 · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7589

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3098

J/mol·K

Ω Parameter

11.9744

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.266%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3140

smaller = more stable mixing

VEC

10.929

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.857

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.669

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.714

Related Tasks

Related computation task IDs (1)

aaahfjab

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292797

Reference Citation

The crystal structure and related material properties of Ho10NiAg3 were obtained from the Materials Project database (MP-ID: mp-3292797, 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_Ho10NiAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.39077923
_cell_length_b   9.39077953
_cell_length_c   9.50686826
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000243
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho10NiAg3
_chemical_formula_sum   'Ho20 Ni2 Ag6'
_cell_volume   726.05809524
_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  0.00000000  0.00000000  0.50000000  1.0
  Ho  Ho1  1  0.00000000  0.00000000  0.00000000  1.0
  Ho  Ho2  1  0.54370886  0.45629114  0.25000000  1.0
  Ho  Ho3  1  0.54370886  0.08741872  0.25000000  1.0
  Ho  Ho4  1  0.91258128  0.45629114  0.25000000  1.0
  Ho  Ho5  1  0.45629114  0.54370886  0.75000000  1.0
  Ho  Ho6  1  0.45629114  0.91258128  0.75000000  1.0
  Ho  Ho7  1  0.08741872  0.54370886  0.75000000  1.0
  Ho  Ho8  1  0.21020911  0.78979089  0.43856323  1.0
  Ho  Ho9  1  0.21020911  0.42042023  0.43856323  1.0
  Ho  Ho10  1  0.57957977  0.78979089  0.43856323  1.0
  Ho  Ho11  1  0.78979089  0.21020911  0.56143677  1.0
  Ho  Ho12  1  0.78979089  0.57957977  0.56143677  1.0
  Ho  Ho13  1  0.42042023  0.21020911  0.56143677  1.0
  Ho  Ho14  1  0.78979089  0.21020911  0.93856323  1.0
  Ho  Ho15  1  0.78979089  0.57957977  0.93856323  1.0
  Ho  Ho16  1  0.42042023  0.21020911  0.93856323  1.0
  Ho  Ho17  1  0.21020911  0.78979089  0.06143677  1.0
  Ho  Ho18  1  0.21020911  0.42042023  0.06143677  1.0
  Ho  Ho19  1  0.57957977  0.78979089  0.06143677  1.0
  Ni  Ni20  1  0.33333300  0.66666700  0.25000000  1.0
  Ni  Ni21  1  0.66666700  0.33333300  0.75000000  1.0
  Ag  Ag22  1  0.88420642  0.11579358  0.25000000  1.0
  Ag  Ag23  1  0.88420642  0.76841183  0.25000000  1.0
  Ag  Ag24  1  0.23158817  0.11579358  0.25000000  1.0
  Ag  Ag25  1  0.11579358  0.88420642  0.75000000  1.0
  Ag  Ag26  1  0.11579358  0.23158817  0.75000000  1.0
  Ag  Ag27  1  0.76841183  0.88420642  0.75000000  1.0

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