Ho4LuRuRh

High-Entropy Materials HEA

MP-ID: mp-3296582 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Ho4LuRuRh

MP-ID

mp-3296582

Elements

Sites

Density

9.8782

g/cm³

Volume

349.20

Å³

Cell a

6.3352

Cell b

7.1302

Cell c

8.4294

α Angle

96.59

β Angle

112.45

γ Angle

89.97

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

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
11.45	7.7306	6.9	(0,0,1)
15.08	5.8755	3.8	(1,0,-1)
15.15	5.8487	5.0	(1,0,0)
20.09	4.4196	14.7	(1,-1,-1)
20.15	4.4068	13.6	(1,1,0)
25.17	3.5376	6.1	(0,2,0)
26.37	3.3793	2.3	(0,2,-1)
26.58	3.3533	7.8	(1,-1,-2)
26.71	3.3378	7.3	(1,1,1)
28.17	3.1675	9.4	(2,0,-1)
28.84	3.0954	42.4	(1,2,-1)
28.87	3.0924	43.0	(1,-2,0)
29.03	3.0757	36.5	(0,2,1)
30.09	2.9698	12.6	(1,-2,-1)
30.14	2.9655	14.5	(1,2,0)
30.43	2.9377	4.1	(2,0,-2)
30.57	2.9244	4.5	(2,0,0)
30.93	2.8914	76.1	(2,-1,-1)
30.94	2.8906	73.7	(2,1,-1)
32.09	2.7897	44.7	(1,2,-2)
32.11	2.7875	75.7	(0,2,-2)
32.13	2.7860	97.8	(1,0,-3)
32.18	2.7817	38.5	(1,-2,1)
32.30	2.7718	100.0	(1,0,2)

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Energy Properties

Formation Energy/atom

-0.54729

eV/atom

Energy/atom

-31.85672

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.8567

eV/atom

Volume/atom

24.94

Å³

c/a Ratio

1.3306

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

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 · 0.571

Element Family

Lanthanide

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1537

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.5922

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.343%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4534

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8322

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfopq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296582

Reference Citation

The crystal structure and related material properties of Ho4LuRuRh were obtained from the Materials Project database (MP-ID: mp-3296582, 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_Ho4LuRuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33515633
_cell_length_b   7.13022940
_cell_length_c   8.42937123
_cell_angle_alpha   96.59314043
_cell_angle_beta   112.44536583
_cell_angle_gamma   89.97372052
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho4LuRuRh
_chemical_formula_sum   'Ho8 Lu2 Ru2 Rh2'
_cell_volume   349.20113779
_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  0.52484144  0.08318223  0.81657268  1.0
  Ho  Ho1  1  0.47515856  0.91681777  0.18342732  1.0
  Ho  Ho2  1  0.71153145  0.41395636  0.18798830  1.0
  Ho  Ho3  1  0.28846855  0.58604364  0.81201170  1.0
  Ho  Ho4  1  0.28397002  0.31229255  0.43355959  1.0
  Ho  Ho5  1  0.71602998  0.68770745  0.56644041  1.0
  Ho  Ho6  1  0.85396921  0.18378256  0.56472933  1.0
  Ho  Ho7  1  0.14603079  0.81621744  0.43527067  1.0
  Lu  Lu8  1  0.07413378  0.24871799  0.99915987  1.0
  Lu  Lu9  1  0.92586622  0.75128201  0.00084013  1.0
  Ru  Ru10  1  0.10749365  0.92742096  0.78578549  1.0
  Ru  Ru11  1  0.89250635  0.07257904  0.21421451  1.0
  Rh  Rh12  1  0.32240584  0.57089842  0.21904940  1.0
  Rh  Rh13  1  0.67759416  0.42910158  0.78095060  1.0

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