Ho9Th3(RuRh)2

High-Entropy Materials HEA

MP-ID: mp-3292947 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Ho9Th3(RuRh)2

MP-ID

mp-3292947

Elements

Sites

Density

9.9595

g/cm³

Volume

431.57

Å³

Cell a

6.3424

Cell b

7.1427

Cell c

9.5273

α Angle

90.00

β Angle

90.00

γ Angle

90.68

Space Group

Point Group

Crystal System

Monoclinic

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
16.79	5.2793	1.5	(1,0,1)
18.63	4.7637	9.5	(0,0,2)
20.82	4.2655	7.5	(1,-1,1)
21.02	4.2255	2.4	(1,1,1)
26.44	3.3708	7.4	(1,-1,2)
26.60	3.3509	9.5	(1,1,2)
26.66	3.3439	11.4	(0,2,1)
28.14	3.1710	8.6	(2,0,0)
28.54	3.1276	5.8	(1,-2,0)
28.84	3.0960	5.2	(1,2,0)
30.07	2.9715	30.3	(1,-2,1)
30.36	2.9445	26.7	(1,2,1)
30.71	2.9110	22.2	(2,-1,0)
30.99	2.8855	19.6	(2,1,0)
31.31	2.8573	52.6	(0,2,2)
31.51	2.8396	100.0	(1,0,3)
32.15	2.7839	42.1	(2,-1,1)
32.42	2.7616	42.3	(2,1,1)
33.91	2.6435	29.9	(1,-1,3)
33.96	2.6396	10.8	(2,0,2)
34.04	2.6339	24.4	(1,1,3)
34.30	2.6144	34.8	(1,-2,2)
34.55	2.5959	33.8	(1,2,2)
36.16	2.4839	7.1	(2,-1,2)

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Energy Properties

Formation Energy/atom

-0.47636

eV/atom

Energy/atom

-38.94382

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.9438

eV/atom

Volume/atom

26.97

Å³

c/a Ratio

1.5022

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.1233

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002600

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.563

Element Family

Lanthanide

Solute Fraction

0.438

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1574

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6224

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.100%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4310

smaller = more stable mixing

VEC

8.688

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8349

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjfv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292947

Reference Citation

The crystal structure and related material properties of Ho9Th3(RuRh)2 were obtained from the Materials Project database (MP-ID: mp-3292947, 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_Ho9Th3(RuRh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34235574
_cell_length_b   7.14266149
_cell_length_c   9.52733198
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.67845167
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho9Th3(RuRh)2
_chemical_formula_sum   'Ho9 Th3 Ru2 Rh2'
_cell_volume   431.57026744
_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  0.32867121  0.67479259  0.06684222  1.0
  Ho  Ho1  1  0.17236801  0.17233941  0.43325164  1.0
  Ho  Ho2  1  0.66926544  0.32649296  0.56526555  1.0
  Ho  Ho3  1  0.82809984  0.82686048  0.93244520  1.0
  Ho  Ho4  1  0.66926544  0.32649296  0.93473445  1.0
  Ho  Ho5  1  0.82809984  0.82686048  0.56755480  1.0
  Ho  Ho6  1  0.32867121  0.67479259  0.43315778  1.0
  Ho  Ho7  1  0.17236801  0.17233941  0.06674836  1.0
  Ho  Ho8  1  0.35480303  0.96181992  0.75000000  1.0
  Th  Th9  1  0.85168750  0.54719465  0.25000000  1.0
  Th  Th10  1  0.64640364  0.04656642  0.25000000  1.0
  Th  Th11  1  0.15407867  0.45581047  0.75000000  1.0
  Ru  Ru12  1  0.03061268  0.86945675  0.25000000  1.0
  Ru  Ru13  1  0.46951208  0.36858043  0.25000000  1.0
  Rh  Rh14  1  0.94908457  0.13028403  0.75000000  1.0
  Rh  Rh15  1  0.54700881  0.61931547  0.75000000  1.0

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