DyHoB6Ru
High-Entropy Materials HEAMP-ID: mp-3294258 · Space group: Pbam (#55)
Basic Information
Formula
DyHoB6Ru
MP-ID
mp-3294258
Elements
4
Sites
36
Density
8.5772
g/cm³
Volume
382.06
ų
Cell a
3.6520
Å
Cell b
9.1126
Å
Cell c
11.4804
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pbam
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 12.40 | 7.1375 | 1.8 | (0,1,1) |
| 20.98 | 4.2350 | 3.3 | (0,2,1) |
| 24.37 | 3.6520 | 100.0 | (1,0,0) |
| 24.95 | 3.5687 | 2.0 | (0,2,2) |
| 25.24 | 3.5283 | 2.2 | (0,1,3) |
| 30.44 | 2.9365 | 38.6 | (0,3,1) |
| 30.51 | 2.9304 | 35.9 | (0,2,3) |
| 31.16 | 2.8701 | 26.2 | (0,0,4) |
| 32.37 | 2.7657 | 4.1 | (1,2,1) |
| 32.71 | 2.7375 | 24.9 | (0,1,4) |
| 33.37 | 2.6848 | 26.8 | (0,3,2) |
| 35.16 | 2.5524 | 2.0 | (1,2,2) |
| 35.37 | 2.5375 | 2.4 | (1,1,3) |
| 37.02 | 2.4285 | 2.0 | (0,2,4) |
| 37.81 | 2.3792 | 9.7 | (0,3,3) |
| 39.37 | 2.2885 | 47.9 | (1,3,1) |
| 39.43 | 2.2856 | 44.5 | (1,2,3) |
| 39.56 | 2.2782 | 2.2 | (0,4,0) |
| 39.95 | 2.2566 | 32.4 | (1,0,4) |
| 40.36 | 2.2346 | 1.4 | (0,4,1) |
| 40.52 | 2.2265 | 2.7 | (0,1,5) |
| 41.21 | 2.1905 | 32.0 | (1,1,4) |
| 41.76 | 2.1632 | 34.9 | (1,3,2) |
| 44.82 | 2.0222 | 2.7 | (1,2,4) |
Energy Properties
Formation Energy/atom
-0.76101
eV/atom
Energy/atom
-15.69055
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.6906
eV/atom
Volume/atom
10.61
ų
c/a Ratio
3.1436
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0005
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
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
1.0027
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.3366
J/mol·K
Ω Parameter
5.1961
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
31.140%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3518
smaller = more stable mixing
VEC
5.222
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.586
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7233
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294258
Reference Citation
The crystal structure and related material properties of DyHoB6Ru were obtained from the Materials Project database (MP-ID: mp-3294258, 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_DyHoB6Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65202161
_cell_length_b 9.11263508
_cell_length_c 11.48035045
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyHoB6Ru
_chemical_formula_sum 'Dy4 Ho4 B24 Ru4'
_cell_volume 382.06078537
_cell_formula_units_Z 4
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 0.32203148 0.41425146 1.0
Dy Dy1 1 0.00000000 0.67796852 0.58574854 1.0
Dy Dy2 1 0.00000000 0.82203148 0.08574854 1.0
Dy Dy3 1 0.00000000 0.17796852 0.91425146 1.0
Ho Ho4 1 0.00000000 0.94393271 0.37272112 1.0
Ho Ho5 1 0.00000000 0.05606729 0.62727888 1.0
Ho Ho6 1 0.00000000 0.44393271 0.12727888 1.0
Ho Ho7 1 0.00000000 0.55606729 0.87272112 1.0
B B8 1 0.50000000 0.55412009 0.43254752 1.0
B B9 1 0.50000000 0.44587991 0.56745248 1.0
B B10 1 0.50000000 0.05412009 0.06745248 1.0
B B11 1 0.50000000 0.94587991 0.93254752 1.0
B B12 1 0.50000000 0.74795105 0.41965217 1.0
B B13 1 0.50000000 0.25204895 0.58034783 1.0
B B14 1 0.50000000 0.24795105 0.08034783 1.0
B B15 1 0.50000000 0.75204895 0.91965217 1.0
B B16 1 0.50000000 0.79061946 0.26649893 1.0
B B17 1 0.50000000 0.20938054 0.73350107 1.0
B B18 1 0.50000000 0.29061946 0.23350107 1.0
B B19 1 0.50000000 0.70938054 0.76649893 1.0
B B20 1 0.50000000 0.63173574 0.18531645 1.0
B B21 1 0.50000000 0.36826426 0.81468355 1.0
B B22 1 0.50000000 0.13173574 0.31468355 1.0
B B23 1 0.50000000 0.86826426 0.68531645 1.0
B B24 1 0.50000000 0.98378934 0.21294628 1.0
B B25 1 0.50000000 0.01621066 0.78705372 1.0
B B26 1 0.50000000 0.48378934 0.28705372 1.0
B B27 1 0.50000000 0.51621066 0.71294628 1.0
B B28 1 0.50000000 0.60954311 0.03020670 1.0
B B29 1 0.50000000 0.39045689 0.96979330 1.0
B B30 1 0.50000000 0.10954311 0.46979330 1.0
B B31 1 0.50000000 0.89045689 0.53020670 1.0
Ru Ru32 1 0.00000000 0.63793502 0.32092268 1.0
Ru Ru33 1 0.00000000 0.36206498 0.67907732 1.0
Ru Ru34 1 0.00000000 0.13793502 0.17907732 1.0
Ru Ru35 1 0.00000000 0.86206498 0.82092268 1.0
