HoLu9Co3Ru

High-Entropy Materials HEA

MP-ID: mp-3294499 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

HoLu9Co3Ru

MP-ID

mp-3294499

Elements

Sites

Density

10.4396

g/cm³

Volume

320.91

Å³

Cell a

6.1520

Cell b

6.8669

Cell c

8.2631

α Angle

96.52

β Angle

112.15

γ Angle

89.85

Space Group

Point Group

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
11.65	7.5964	1.8	(0,0,1)
15.57	5.6924	2.4	(1,0,0)
20.76	4.2791	3.7	(1,-1,-1)
20.76	4.2781	5.0	(1,1,0)
25.11	3.5468	1.9	(1,1,-2)
25.24	3.5287	2.0	(1,-1,1)
26.15	3.4080	10.7	(0,2,0)
27.31	3.2659	10.0	(1,-1,-2)
27.35	3.2609	9.5	(0,2,-1)
27.37	3.2582	12.7	(1,1,1)
29.03	3.0759	20.6	(2,0,-1)
29.89	2.9898	36.5	(1,2,-1)
29.96	2.9820	43.5	(1,-2,0)
30.01	2.9773	44.2	(0,2,1)
31.17	2.8693	7.7	(1,2,0)
31.19	2.8674	13.7	(1,-2,-1)
31.32	2.8560	3.3	(2,0,-2)
31.43	2.8462	2.9	(2,0,0)
31.90	2.8057	81.0	(2,1,-1)
31.94	2.8016	60.1	(2,-1,-1)
32.81	2.7297	100.0	(1,0,-3)
32.94	2.7190	99.1	(1,0,2)
33.12	2.7052	58.2	(0,2,-2)
33.15	2.7024	36.3	(1,2,-2)

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Energy Properties

Formation Energy/atom

-0.22861

eV/atom

Energy/atom

-31.70915

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.7092

eV/atom

Volume/atom

22.92

Å³

c/a Ratio

1.3432

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2911

μB

Mag. Ordering

AFM

Mag. Sites

Magnetization/Volume

0.000910

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Lu · 0.643

Element Family

Lanthanide

Solute Fraction

0.357

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9911

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2403

J/mol·K

Ω Parameter

19.6499

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.431%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3223

smaller = more stable mixing

VEC

4.571

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.808

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7150

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflnn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294499

Reference Citation

The crystal structure and related material properties of HoLu9Co3Ru were obtained from the Materials Project database (MP-ID: mp-3294499, 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_HoLu9Co3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15196637
_cell_length_b   6.86688537
_cell_length_c   8.26308346
_cell_angle_alpha   96.51513972
_cell_angle_beta   112.15374495
_cell_angle_gamma   89.85238081
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoLu9Co3Ru
_chemical_formula_sum   'Ho1 Lu9 Co3 Ru1'
_cell_volume   320.90777414
_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  0.51708486  0.08968132  0.81494324  1.0
  Lu  Lu1  1  0.47466573  0.91060988  0.18983796  1.0
  Lu  Lu2  1  0.70250721  0.41795532  0.18980577  1.0
  Lu  Lu3  1  0.29736085  0.58923811  0.81212643  1.0
  Lu  Lu4  1  0.28648481  0.32108971  0.43331713  1.0
  Lu  Lu5  1  0.71779690  0.68205480  0.56867656  1.0
  Lu  Lu6  1  0.85375061  0.18353681  0.56576112  1.0
  Lu  Lu7  1  0.14968515  0.81118678  0.43497154  1.0
  Lu  Lu8  1  0.07447034  0.25444939  0.99798757  1.0
  Lu  Lu9  1  0.92671558  0.74316694  0.99746435  1.0
  Co  Co10  1  0.32957352  0.57392450  0.22355446  1.0
  Co  Co11  1  0.67165396  0.42697340  0.77344915  1.0
  Co  Co12  1  0.10491477  0.92624707  0.78021095  1.0
  Ru  Ru13  1  0.89333670  0.06988897  0.21789277  1.0

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