Ho8Th4TcRu3

High-Entropy Materials HEA

MP-ID: mp-3296628 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Ho8Th4TcRu3

MP-ID

mp-3296628

Elements

Sites

Density

10.0970

g/cm³

Volume

435.62

Å³

Cell a

6.3345

Cell b

7.2019

Cell c

9.5489

α Angle

90.00

β Angle

90.00

γ Angle

89.94

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
16.80	5.2786	4.4	(1,0,1)
18.58	4.7744	11.1	(0,0,2)
20.86	4.2593	5.9	(1,1,1)
20.87	4.2557	5.3	(1,-1,1)
26.44	3.3705	9.5	(1,1,2)
26.45	3.3693	15.1	(0,2,1)
26.46	3.3688	8.9	(1,-1,2)
28.18	3.1672	7.3	(2,0,0)
28.50	3.1319	5.2	(1,2,0)
28.53	3.1291	4.7	(1,-2,0)
30.03	2.9759	26.1	(1,2,1)
30.05	2.9735	26.6	(1,-2,1)
30.83	2.9004	21.4	(2,1,0)
30.85	2.8981	22.2	(2,-1,0)
31.11	2.8749	46.9	(0,2,2)
31.45	2.8441	100.0	(1,0,3)
32.26	2.7752	38.2	(2,1,1)
32.28	2.7732	37.6	(2,-1,1)
33.88	2.6457	25.7	(1,1,3)
33.89	2.6449	25.7	(1,-1,3)
33.97	2.6393	10.9	(2,0,2)
34.24	2.6187	32.7	(1,2,2)
34.26	2.6171	33.0	(1,-2,2)
36.24	2.4788	4.9	(2,1,2)

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Energy Properties

Formation Energy/atom

-0.34006

eV/atom

Energy/atom

-41.53944

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.5394

eV/atom

Volume/atom

27.23

Å³

c/a Ratio

1.5074

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0433

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000100

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1803

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.8131

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.129%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3841

smaller = more stable mixing

VEC

7.813

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8514

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfork

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296628

Reference Citation

The crystal structure and related material properties of Ho8Th4TcRu3 were obtained from the Materials Project database (MP-ID: mp-3296628, 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_Ho8Th4TcRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33447284
_cell_length_b   7.20189980
_cell_length_c   9.54885312
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.94016889
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho8Th4TcRu3
_chemical_formula_sum   'Ho8 Th4 Tc1 Ru3'
_cell_volume   435.62072089
_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  0.32672611  0.67130377  0.06648858  1.0
  Ho  Ho1  1  0.17374975  0.17251119  0.43339529  1.0
  Ho  Ho2  1  0.67253993  0.32879909  0.56717964  1.0
  Ho  Ho3  1  0.83025502  0.82816872  0.93350532  1.0
  Ho  Ho4  1  0.67253993  0.32879909  0.93282036  1.0
  Ho  Ho5  1  0.83025502  0.82816872  0.56649468  1.0
  Ho  Ho6  1  0.32672611  0.67130377  0.43351142  1.0
  Ho  Ho7  1  0.17374975  0.17251119  0.06660471  1.0
  Th  Th8  1  0.85618836  0.54940767  0.25000000  1.0
  Th  Th9  1  0.64471059  0.04853738  0.25000000  1.0
  Th  Th10  1  0.15134274  0.44947783  0.75000000  1.0
  Th  Th11  1  0.35186404  0.95134312  0.75000000  1.0
  Tc  Tc12  1  0.01580060  0.86773007  0.25000000  1.0
  Ru  Ru13  1  0.47381116  0.36962837  0.25000000  1.0
  Ru  Ru14  1  0.97189298  0.13144591  0.75000000  1.0
  Ru  Ru15  1  0.52784792  0.63086712  0.75000000  1.0

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