Y8Re3B24Ru

High-Entropy Materials HEA

MP-ID: mp-3296246 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Y8Re3B24Ru

MP-ID

mp-3296246

Elements

Sites

Density

6.9490

g/cm³

Volume

389.60

Å³

Cell a

3.6765

Cell b

9.1693

Cell c

11.5572

α Angle

89.90

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
7.65	11.5572	5.4	(0,0,1)
9.65	9.1692	3.4	(0,1,0)
12.31	7.1893	8.6	(0,1,1)
15.33	5.7786	17.1	(0,0,2)
18.13	4.8927	6.7	(0,1,2)
18.16	4.8848	12.0	(0,1,-2)
19.36	4.5846	1.0	(0,2,0)
20.83	4.2642	8.1	(0,2,1)
20.86	4.2590	8.5	(0,2,-1)
24.21	3.6765	100.0	(1,0,0)
25.06	3.5539	2.5	(0,1,3)
25.09	3.5494	1.6	(0,1,-3)
27.24	3.2733	2.9	(1,1,1)
28.78	3.1019	6.1	(1,0,2)
30.23	2.9561	14.6	(0,3,1)
30.26	2.9535	18.1	(0,3,-1)
30.28	2.9520	12.3	(0,2,3)
30.33	2.9468	13.2	(0,2,-3)
30.41	2.9392	2.6	(1,1,2)
30.43	2.9375	5.4	(1,1,-2)
30.95	2.8893	16.8	(0,0,4)
32.15	2.7845	3.9	(1,2,1)
32.16	2.7830	4.2	(1,2,-1)
32.47	2.7571	19.2	(0,1,4)

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Energy Properties

Formation Energy/atom

-0.69384

eV/atom

Energy/atom

-15.17933

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.1793

eV/atom

Volume/atom

10.82

Å³

c/a Ratio

3.1435

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0021

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

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

0.6278

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

32.565%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3404

smaller = more stable mixing

VEC

3.472

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-28.073

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6573

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfocs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296246

Reference Citation

The crystal structure and related material properties of Y8Re3B24Ru were obtained from the Materials Project database (MP-ID: mp-3296246, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Y8Re3B24Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67652498
_cell_length_b   9.16924625
_cell_length_c   11.55717204
_cell_angle_alpha   89.89814956
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y8Re3B24Ru
_chemical_formula_sum   'Y8 Re3 B24 Ru1'
_cell_volume   389.60278214
_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
  Y  Y0  1  0.00000000  0.82213030  0.08551467  1.0
  Y  Y1  1  0.00000000  0.17731891  0.91231414  1.0
  Y  Y2  1  0.00000000  0.32537732  0.41647545  1.0
  Y  Y3  1  0.00000000  0.67665756  0.58652467  1.0
  Y  Y4  1  0.00000000  0.44148094  0.13067682  1.0
  Y  Y5  1  0.00000000  0.55679434  0.87045263  1.0
  Y  Y6  1  0.00000000  0.94283463  0.36944681  1.0
  Y  Y7  1  0.00000000  0.05743258  0.62924274  1.0
  Re  Re8  1  0.00000000  0.86264421  0.82165515  1.0
  Re  Re9  1  0.00000000  0.63820618  0.32020381  1.0
  Re  Re10  1  0.00000000  0.36242942  0.67913344  1.0
  B  B11  1  0.50000000  0.05400099  0.06758303  1.0
  B  B12  1  0.50000000  0.94683614  0.93303113  1.0
  B  B13  1  0.50000000  0.55344404  0.43276578  1.0
  B  B14  1  0.50000000  0.44710868  0.56748872  1.0
  B  B15  1  0.50000000  0.24727248  0.08184346  1.0
  B  B16  1  0.50000000  0.75112958  0.91856634  1.0
  B  B17  1  0.50000000  0.74840404  0.41806441  1.0
  B  B18  1  0.50000000  0.25208551  0.58161606  1.0
  B  B19  1  0.50000000  0.28973676  0.23457734  1.0
  B  B20  1  0.50000000  0.70891690  0.76593369  1.0
  B  B21  1  0.50000000  0.79090530  0.26479872  1.0
  B  B22  1  0.50000000  0.20883097  0.73417917  1.0
  B  B23  1  0.50000000  0.13120553  0.31363833  1.0
  B  B24  1  0.50000000  0.86949785  0.68635630  1.0
  B  B25  1  0.50000000  0.63027047  0.18557648  1.0
  B  B26  1  0.50000000  0.36885803  0.81399945  1.0
  B  B27  1  0.50000000  0.48257861  0.28833232  1.0
  B  B28  1  0.50000000  0.51749442  0.71224144  1.0
  B  B29  1  0.50000000  0.98357578  0.21142456  1.0
  B  B30  1  0.50000000  0.01785689  0.78801330  1.0
  B  B31  1  0.50000000  0.10256696  0.47081416  1.0
  B  B32  1  0.50000000  0.89835695  0.52782452  1.0
  B  B33  1  0.50000000  0.60075591  0.02876686  1.0
  B  B34  1  0.50000000  0.39709665  0.97185899  1.0
  Ru  Ru35  1  0.00000000  0.13790715  0.17906411  1.0

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