Dy8Re(B8Ru)3

High-Entropy Materials HEA

MP-ID: mp-3295023 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy8Re(B8Ru)3

MP-ID

mp-3295023

Elements

Sites

Density

8.8192

g/cm³

Volume

385.78

Å³

Cell a

3.6663

Cell b

9.1377

Cell c

11.5152

α Angle

90.14

β Angle

90.00

γ Angle

90.00

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
7.68	11.5152	3.4	(0,0,1)
9.68	9.1376	2.0	(0,1,0)
12.38	7.1494	2.5	(0,1,1)
24.28	3.6663	100.0	(1,0,0)
24.91	3.5747	1.7	(0,2,2)
30.34	2.9464	17.5	(0,3,-1)
30.37	2.9429	19.7	(0,3,1)
30.38	2.9424	16.9	(0,2,-3)
30.45	2.9354	17.2	(0,2,3)
31.07	2.8788	24.3	(0,0,4)
32.59	2.7477	13.6	(0,1,-4)
32.64	2.7439	13.3	(0,1,4)
33.24	2.6950	14.0	(0,3,-2)
33.31	2.6897	11.9	(0,3,2)
35.06	2.5595	1.7	(1,2,2)
36.86	2.4383	1.6	(0,2,-4)
37.66	2.3888	5.0	(0,3,-3)
37.75	2.3831	5.7	(0,3,3)
39.23	2.2967	21.6	(1,3,-1)
39.26	2.2950	24.2	(1,3,1)
39.26	2.2948	20.8	(1,2,-3)
39.32	2.2914	21.3	(1,2,3)
39.45	2.2844	3.2	(0,4,0)
39.81	2.2642	30.1	(1,0,4)

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Energy Properties

Formation Energy/atom

-0.73682

eV/atom

Energy/atom

-16.31602

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.3160

eV/atom

Volume/atom

10.72

Å³

c/a Ratio

3.1408

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

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

B · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.667

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9112

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.5754

J/mol·K

Ω Parameter

4.8198

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.162%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3496

smaller = more stable mixing

VEC

5.083

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.541

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6573

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmhr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295023

Reference Citation

The crystal structure and related material properties of Dy8Re(B8Ru)3 were obtained from the Materials Project database (MP-ID: mp-3295023, 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_Dy8Re(B8Ru)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66630408
_cell_length_b   9.13766227
_cell_length_c   11.51522979
_cell_angle_alpha   90.13851275
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy8Re(B8Ru)3
_chemical_formula_sum   'Dy8 Re1 B24 Ru3'
_cell_volume   385.77574991
_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  0.00000000  0.32360862  0.41536939  1.0
  Dy  Dy1  1  0.00000000  0.67984278  0.58856529  1.0
  Dy  Dy2  1  0.00000000  0.82329944  0.08284781  1.0
  Dy  Dy3  1  0.00000000  0.17497514  0.91343874  1.0
  Dy  Dy4  1  0.00000000  0.94302336  0.37075106  1.0
  Dy  Dy5  1  0.00000000  0.05646556  0.62782551  1.0
  Dy  Dy6  1  0.00000000  0.44233410  0.12891569  1.0
  Dy  Dy7  1  0.00000000  0.55627448  0.87231805  1.0
  Re  Re8  1  0.00000000  0.86249475  0.82105290  1.0
  B  B9  1  0.50000000  0.55428682  0.43307142  1.0
  B  B10  1  0.50000000  0.44647715  0.56748906  1.0
  B  B11  1  0.50000000  0.05377120  0.06767209  1.0
  B  B12  1  0.50000000  0.94692598  0.93302029  1.0
  B  B13  1  0.50000000  0.74763101  0.41934696  1.0
  B  B14  1  0.50000000  0.25298021  0.58027887  1.0
  B  B15  1  0.50000000  0.24693060  0.08090186  1.0
  B  B16  1  0.50000000  0.75238417  0.91921787  1.0
  B  B17  1  0.50000000  0.78967929  0.26606182  1.0
  B  B18  1  0.50000000  0.20979518  0.73287984  1.0
  B  B19  1  0.50000000  0.29018328  0.23399106  1.0
  B  B20  1  0.50000000  0.70882065  0.76626648  1.0
  B  B21  1  0.50000000  0.63107078  0.18581096  1.0
  B  B22  1  0.50000000  0.36811827  0.81383718  1.0
  B  B23  1  0.50000000  0.13181656  0.31433648  1.0
  B  B24  1  0.50000000  0.86863326  0.68583228  1.0
  B  B25  1  0.50000000  0.98384554  0.21238030  1.0
  B  B26  1  0.50000000  0.01736477  0.78726609  1.0
  B  B27  1  0.50000000  0.48370664  0.28808099  1.0
  B  B28  1  0.50000000  0.51641534  0.71263516  1.0
  B  B29  1  0.50000000  0.60671461  0.03062488  1.0
  B  B30  1  0.50000000  0.39108552  0.97035669  1.0
  B  B31  1  0.50000000  0.10886452  0.46927566  1.0
  B  B32  1  0.50000000  0.89221652  0.52913820  1.0
  Ru  Ru33  1  0.00000000  0.63743741  0.32128683  1.0
  Ru  Ru34  1  0.00000000  0.36261236  0.67851710  1.0
  Ru  Ru35  1  0.00000000  0.13791311  0.17933913  1.0

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