Ho5Ni2Sb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-10500 · Space group: I4/mcm (#140)

Materials Project API

Basic Information

Formula

Ho5Ni2Sb

MP-ID

mp-10500

Elements

Sites

Density

9.3407

g/cm³

Volume

378.23

Å³

Cell a

7.5795

Cell b

7.5795

Cell c

8.4880

α Angle

116.50

β Angle

116.50

γ Angle

90.01

Space Group

I4/mcm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

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
13.45	6.5839	8.4	(0,0,1)
27.09	3.2919	10.3	(0,0,2)
27.15	3.2848	2.0	(2,0,0)
27.15	3.2842	2.0	(2,0,-2)
27.16	3.2829	25.0	(2,-1,0)
27.16	3.2827	25.0	(2,-1,-1)
27.17	3.2827	25.0	(2,1,-1)
27.17	3.2822	12.5	(2,1,-2)
27.17	3.2822	12.5	(1,2,-2)
31.90	2.8054	26.7	(1,1,1)
31.90	2.8051	53.5	(1,-1,2)
31.91	2.8046	26.7	(1,1,-3)
33.40	2.6830	72.5	(2,1,0)
33.40	2.6830	72.6	(2,-1,1)
33.40	2.6828	36.3	(2,-1,-2)
33.40	2.6828	36.3	(1,-2,2)
33.41	2.6823	72.5	(2,1,-3)
33.44	2.6799	19.6	(2,-2,0)
33.44	2.6796	19.6	(2,2,-2)
36.14	2.4855	58.3	(2,0,1)
36.15	2.4850	58.2	(2,0,-3)
37.52	2.3970	100.0	(3,-1,-1)
37.53	2.3967	100.0	(3,1,-2)
41.13	2.1946	14.7	(0,0,3)

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Energy Properties

Formation Energy/atom

-0.55536

eV/atom

Energy/atom

-5.39007

eV/atom

Energy above Hull

0.0040

eV/atom

Uncorrected Energy

-27.3449

eV/atom

Volume/atom

23.64

Å³

c/a Ratio

1.1199

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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 · 0.625

Element Family

Lanthanide

Solute Fraction

0.375

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9003

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.4847

J/mol·K

Ω Parameter

4.8762

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.973%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3541

smaller = more stable mixing

VEC

10.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8194

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.597

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.625

Related Tasks

Related computation task IDs (5)

aaadnoqr aaadtfpr aaaelnpi aaaetpog aaafsfsq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10500

Reference Citation

The crystal structure and related material properties of Ho5Ni2Sb were obtained from the Materials Project database (MP-ID: mp-10500, 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_Ho5Ni2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57948236
_cell_length_b   7.57948207
_cell_length_c   8.48804433
_cell_angle_alpha   116.50372582
_cell_angle_beta   116.50373238
_cell_angle_gamma   90.00825882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho5Ni2Sb
_chemical_formula_sum   'Ho10 Ni4 Sb2'
_cell_volume   378.23349456
_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  0.20775727  0.02006446  0.72782151  1.0
  Ho  Ho1  1  0.02005435  0.52005335  0.72782571  1.0
  Ho  Ho2  1  0.70776952  0.20776952  0.72781602  1.0
  Ho  Ho3  1  0.97994565  0.47994665  0.27217429  1.0
  Ho  Ho4  1  0.52006446  0.70775727  0.72782251  1.0
  Ho  Ho5  1  0.79224273  0.97993554  0.27217849  1.0
  Ho  Ho6  1  0.47993554  0.29224273  0.27217749  1.0
  Ho  Ho7  1  0.29223048  0.79223048  0.27218398  1.0
  Ho  Ho8  1  0.50000000  0.50000000  -0.00000000  1.0
  Ho  Ho9  1  0.00000000  -0.00000000  -0.00000000  1.0
  Ni  Ni10  1  0.36939181  0.86939181  0.00011986  1.0
  Ni  Ni11  1  0.13067596  0.36932404  -0.00000000  1.0
  Ni  Ni12  1  0.63060819  0.13060819  0.99988014  1.0
  Ni  Ni13  1  0.86932404  0.63067596  0.00000000  1.0
  Sb  Sb14  1  0.24999701  0.25000299  0.50000000  1.0
  Sb  Sb15  1  0.75000299  0.74999701  0.50000000  1.0

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