Dy2HoTh11Ru6

High-Entropy Materials HEA

MP-ID: mp-3294792 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Dy2HoTh11Ru6

MP-ID

mp-3294792

Elements

Sites

Density

11.3232

g/cm³

Volume

535.09

Å³

Cell a

9.7717

Cell b

9.7922

Cell c

6.4579

α Angle

89.97

β Angle

90.09

γ Angle

120.01

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
10.43	8.4794	6.9	(0,1,0)
10.45	8.4617	2.8	(1,0,0)
13.71	6.4579	1.0	(0,0,1)
17.26	5.1387	5.4	(1,-1,-1)
17.26	5.1372	7.0	(1,0,-1)
17.26	5.1369	5.3	(0,1,1)
17.28	5.1330	1.5	(1,-1,1)
17.29	5.1301	1.6	(1,0,1)
18.12	4.8961	9.2	(1,-2,0)
18.14	4.8902	2.4	(1,1,0)
20.95	4.2397	1.4	(0,2,0)
22.80	3.9004	1.2	(1,1,-1)
22.82	3.8967	1.4	(1,1,1)
25.12	3.5446	13.4	(0,2,-1)
25.13	3.5438	11.5	(2,-2,-1)
25.13	3.5437	22.6	(0,2,1)
25.15	3.5413	15.3	(2,0,-1)
25.16	3.5401	15.1	(2,-2,1)
25.18	3.5367	8.6	(2,0,1)
27.63	3.2289	17.1	(0,0,2)
27.83	3.2056	22.1	(1,-3,0)
27.84	3.2044	21.7	(2,-3,0)
27.86	3.2029	28.0	(1,2,0)
27.88	3.2000	24.7	(2,1,0)

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Energy Properties

Formation Energy/atom

-0.43385

eV/atom

Energy/atom

-53.31485

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-53.3149

eV/atom

Volume/atom

26.75

Å³

c/a Ratio

0.6609

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0094

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Th · 0.550

Element Family

Actinide

Solute Fraction

0.450

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0700

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.8964

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.487%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4208

smaller = more stable mixing

VEC

5.050

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7719

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflyu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294792

Reference Citation

The crystal structure and related material properties of Dy2HoTh11Ru6 were obtained from the Materials Project database (MP-ID: mp-3294792, 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_Dy2HoTh11Ru6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77171150
_cell_length_b   9.79216438
_cell_length_c   6.45787864
_cell_angle_alpha   89.97086351
_cell_angle_beta   90.08530909
_cell_angle_gamma   120.01015464
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2HoTh11Ru6
_chemical_formula_sum   'Dy2 Ho1 Th11 Ru6'
_cell_volume   535.08761219
_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
  Dy  Dy0  1  0.46048497  0.53536191  0.29913813  1.0
  Dy  Dy1  1  0.07145956  0.53395972  0.30313593  1.0
  Ho  Ho2  1  0.92884425  0.46500166  0.80268896  1.0
  Th  Th3  1  0.24882336  0.12638474  0.51137792  1.0
  Th  Th4  1  0.54076181  0.07833038  0.79791437  1.0
  Th  Th5  1  0.74996068  0.87500239  0.01382731  1.0
  Th  Th6  1  0.66745533  0.33343092  0.27273784  1.0
  Th  Th7  1  0.12399835  0.87221618  0.01149814  1.0
  Th  Th8  1  0.45960688  0.91854194  0.29773793  1.0
  Th  Th9  1  0.53925022  0.46502368  0.80301141  1.0
  Th  Th10  1  0.87713639  0.12797886  0.51383753  1.0
  Th  Th11  1  0.12350992  0.25196336  0.01387664  1.0
  Th  Th12  1  0.87418372  0.74805078  0.50975622  1.0
  Th  Th13  1  0.33272748  0.66533694  0.77005229  1.0
  Ru  Ru14  1  0.81253915  0.63099254  0.04475212  1.0
  Ru  Ru15  1  0.81435558  0.18249773  0.04306656  1.0
  Ru  Ru16  1  0.63200214  0.81870895  0.54203875  1.0
  Ru  Ru17  1  0.37243365  0.18802569  0.04015909  1.0
  Ru  Ru18  1  0.18281013  0.36446735  0.55020218  1.0
  Ru  Ru19  1  0.18765643  0.81872431  0.54318567  1.0

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