Dy20CoBi8Ru3
High-Entropy Materials HEAMP-ID: mp-3292845 · Space group: Pm (#6)
Basic Information
Formula
Dy20CoBi8Ru3
MP-ID
mp-3292845
Elements
4
Sites
32
Density
9.8993
g/cm³
Volume
886.35
ų
Cell a
8.0016
Å
Cell b
8.9096
Å
Cell c
12.4329
Å
α Angle
90.00
°
β Angle
89.80
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
Stability
No
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 |
|---|---|---|---|
| 13.18 | 6.7181 | 1.0 | (1,0,-1) |
| 14.88 | 5.9532 | 2.1 | (1,1,0) |
| 18.04 | 4.9172 | 1.9 | (1,0,2) |
| 18.10 | 4.9009 | 3.0 | (1,0,-2) |
| 19.93 | 4.4548 | 4.4 | (0,2,0) |
| 22.22 | 4.0008 | 12.3 | (2,0,0) |
| 23.33 | 3.8122 | 2.0 | (2,0,1) |
| 23.38 | 3.8047 | 1.5 | (2,0,-1) |
| 23.95 | 3.7162 | 1.4 | (1,2,1) |
| 23.97 | 3.7127 | 1.5 | (1,2,-1) |
| 24.15 | 3.6851 | 7.4 | (1,0,3) |
| 24.22 | 3.6749 | 6.2 | (1,0,-3) |
| 25.41 | 3.5049 | 3.2 | (2,1,1) |
| 25.46 | 3.4990 | 3.3 | (2,1,-1) |
| 27.01 | 3.3014 | 10.8 | (1,2,2) |
| 27.05 | 3.2965 | 12.3 | (1,2,-2) |
| 28.32 | 3.1516 | 2.1 | (2,1,2) |
| 28.40 | 3.1431 | 3.2 | (2,1,-2) |
| 28.72 | 3.1082 | 3.1 | (0,0,4) |
| 30.46 | 2.9348 | 1.3 | (0,1,4) |
| 30.83 | 2.9006 | 55.7 | (1,0,4) |
| 30.87 | 2.8965 | 95.8 | (2,2,1) |
| 30.90 | 2.8940 | 53.9 | (1,0,-4) |
| 30.91 | 2.8931 | 100.0 | (2,2,-1) |
Energy Properties
Formation Energy/atom
-0.71061
eV/atom
Energy/atom
-38.12192
eV/atom
Energy above Hull
0.0005
eV/atom
Uncorrected Energy
-38.1219
eV/atom
Volume/atom
27.70
ų
c/a Ratio
1.5538
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.5087
μB
Mag. Ordering
FiM
Mag. Sites
9
Magnetization/Volume
0.000570
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9705
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.0691
J/mol·K
Ω Parameter
3.9296
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.699%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4074
smaller = more stable mixing
VEC
8.531
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
3.051
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7001
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292845
Reference Citation
The crystal structure and related material properties of Dy20CoBi8Ru3 were obtained from the Materials Project database (MP-ID: mp-3292845, 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_Dy20CoBi8Ru3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.00159481
_cell_length_b 8.90961976
_cell_length_c 12.43288325
_cell_angle_alpha 90.00000000
_cell_angle_beta 89.80449319
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy20CoBi8Ru3
_chemical_formula_sum 'Dy20 Co1 Bi8 Ru3'
_cell_volume 886.34959964
_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 0.34494301 0.75000000 0.69988465 1.0
Dy Dy1 1 0.65756160 0.25000000 0.29525399 1.0
Dy Dy2 1 0.84355090 0.25000000 0.79606059 1.0
Dy Dy3 1 0.15477141 0.75000000 0.20204814 1.0
Dy Dy4 1 0.87766043 0.75000000 0.80960526 1.0
Dy Dy5 1 0.12128237 0.25000000 0.19005839 1.0
Dy Dy6 1 0.37806520 0.25000000 0.69045233 1.0
Dy Dy7 1 0.61855889 0.75000000 0.31385873 1.0
Dy Dy8 1 0.67510591 0.53918561 0.56437036 1.0
Dy Dy9 1 0.32659564 0.46442226 0.43606685 1.0
Dy Dy10 1 0.17415296 0.46203155 0.93488492 1.0
Dy Dy11 1 0.32659564 0.03557774 0.43606685 1.0
Dy Dy12 1 0.82388831 0.53869708 0.06555982 1.0
Dy Dy13 1 0.67510591 0.96081439 0.56437036 1.0
Dy Dy14 1 0.82388831 0.96130292 0.06555982 1.0
Dy Dy15 1 0.17415296 0.03796845 0.93488492 1.0
Dy Dy16 1 0.05527556 0.75000000 0.49690789 1.0
Dy Dy17 1 0.94812491 0.25000000 0.50323889 1.0
Dy Dy18 1 0.55159590 0.25000000 0.00318447 1.0
Dy Dy19 1 0.44776683 0.75000000 0.99596747 1.0
Co Co20 1 0.43401637 0.75000000 0.49239122 1.0
Bi Bi21 1 0.56722725 0.50790947 0.82664637 1.0
Bi Bi22 1 0.43231509 0.49294274 0.17344849 1.0
Bi Bi23 1 0.06838924 0.49252050 0.67242399 1.0
Bi Bi24 1 0.43231509 0.00705726 0.17344849 1.0
Bi Bi25 1 0.93213025 0.50858602 0.32808301 1.0
Bi Bi26 1 0.56722725 0.99209053 0.82664637 1.0
Bi Bi27 1 0.93213025 0.99141398 0.32808301 1.0
Bi Bi28 1 0.06838924 0.00747950 0.67242399 1.0
Ru Ru29 1 0.06829024 0.75000000 0.99029203 1.0
Ru Ru30 1 0.93047042 0.25000000 0.00920311 1.0
Ru Ru31 1 0.56845666 0.25000000 0.50862319 1.0
