Dy5Ho5(Er5Bi6)2
High-Entropy Materials HEAMP-ID: mp-3294525 · Space group: P1 (#1)
Basic Information
Formula
Dy5Ho5(Er5Bi6)2
MP-ID
mp-3294525
Elements
4
Sites
32
Density
10.4989
g/cm³
Volume
920.11
ų
Cell a
8.1855
Å
Cell b
9.3865
Å
Cell c
11.9755
Å
α Angle
89.99
°
β Angle
90.01
°
γ Angle
90.03
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 13.10 | 6.7583 | 1.1 | (1,0,-1) |
| 13.10 | 6.7571 | 1.1 | (1,0,1) |
| 14.79 | 5.9877 | 2.7 | (0,0,2) |
| 18.91 | 4.6933 | 1.7 | (0,2,0) |
| 21.71 | 4.0927 | 4.7 | (2,0,0) |
| 22.96 | 3.8730 | 4.6 | (2,0,-1) |
| 22.97 | 3.8726 | 4.6 | (2,0,1) |
| 23.07 | 3.8559 | 5.8 | (1,-2,-1) |
| 23.07 | 3.8554 | 5.8 | (1,-2,1) |
| 23.08 | 3.8540 | 5.7 | (1,2,1) |
| 23.08 | 3.8540 | 5.7 | (1,2,-1) |
| 23.71 | 3.7524 | 2.1 | (2,-1,0) |
| 23.72 | 3.7509 | 2.2 | (2,1,0) |
| 24.09 | 3.6940 | 3.6 | (0,2,2) |
| 24.09 | 3.6936 | 3.6 | (0,2,-2) |
| 24.23 | 3.6736 | 1.0 | (0,1,3) |
| 24.23 | 3.6733 | 1.0 | (0,1,-3) |
| 24.81 | 3.5882 | 21.6 | (1,0,-3) |
| 24.82 | 3.5877 | 21.5 | (1,0,3) |
| 29.51 | 3.0273 | 7.2 | (0,3,1) |
| 29.51 | 3.0271 | 7.0 | (0,3,-1) |
| 29.84 | 2.9939 | 20.6 | (0,0,4) |
| 29.90 | 2.9881 | 48.4 | (2,-2,-1) |
| 29.91 | 2.9877 | 48.5 | (2,-2,1) |
Energy Properties
Formation Energy/atom
-0.79304
eV/atom
Energy/atom
-43.46796
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-43.4680
eV/atom
Volume/atom
28.75
ų
c/a Ratio
1.4630
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.8858
μB
Mag. Ordering
FM
Mag. Sites
19
Magnetization/Volume
0.003140
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Bi · 0.375
Element Family
PostTransition-Noble
Solute Fraction
0.625
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3114
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.9029
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
4.287%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3813
smaller = more stable mixing
VEC
8.906
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9460
SS Former
1
Phase Tendency
SS
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294525
Reference Citation
The crystal structure and related material properties of Dy5Ho5(Er5Bi6)2 were obtained from the Materials Project database (MP-ID: mp-3294525, 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_Dy5Ho5(Er5Bi6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18545668
_cell_length_b 9.38654190
_cell_length_c 11.97548993
_cell_angle_alpha 89.99279881
_cell_angle_beta 90.01084849
_cell_angle_gamma 90.03191532
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy5Ho5(Er5Bi6)2
_chemical_formula_sum 'Dy5 Ho5 Er10 Bi12'
_cell_volume 920.11423372
_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 0.19277657 0.56317599 0.44035139 1.0
Dy Dy1 1 0.31612102 0.25009460 0.21728563 1.0
Dy Dy2 1 0.81629321 0.25011696 0.28273825 1.0
Dy Dy3 1 0.68397777 0.75026861 0.78272641 1.0
Dy Dy4 1 0.18392930 0.75014708 0.71738719 1.0
Ho Ho5 1 0.35409327 0.75040126 0.21522447 1.0
Ho Ho6 1 0.85369205 0.75040549 0.28467234 1.0
Ho Ho7 1 0.64642207 0.25060032 0.78468022 1.0
Ho Ho8 1 0.14652318 0.25087205 0.71539677 1.0
Ho Ho9 1 0.69291999 0.56398165 0.05956534 1.0
Er Er10 1 0.19299043 0.93480369 0.44018687 1.0
Er Er11 1 0.30651676 0.06462129 0.94019065 1.0
Er Er12 1 0.80744113 0.43522914 0.55947779 1.0
Er Er13 1 0.30728699 0.43538038 0.94043119 1.0
Er Er14 1 0.80609759 0.06436131 0.55998228 1.0
Er Er15 1 0.69309078 0.93521139 0.05969456 1.0
Er Er16 1 0.47641768 0.25012059 0.48867386 1.0
Er Er17 1 0.97643017 0.25025135 0.01129254 1.0
Er Er18 1 0.52387513 0.75013370 0.51137644 1.0
Er Er19 1 0.02378348 0.75019666 0.98854579 1.0
Bi Bi20 1 0.40624595 0.75029088 0.95892943 1.0
Bi Bi21 1 0.90603676 0.75038781 0.54115903 1.0
Bi Bi22 1 0.59328286 0.24900003 0.04071982 1.0
Bi Bi23 1 0.09300356 0.24780620 0.45949262 1.0
Bi Bi24 1 0.56565173 0.99583981 0.32699969 1.0
Bi Bi25 1 0.06588967 0.50467985 0.17284560 1.0
Bi Bi26 1 0.43438715 0.49579587 0.67311880 1.0
Bi Bi27 1 0.93441107 0.00490633 0.82690859 1.0
Bi Bi28 1 0.43432666 0.00477709 0.67308900 1.0
Bi Bi29 1 0.93412687 0.49581538 0.82699685 1.0
Bi Bi30 1 0.56632498 0.50457917 0.32698838 1.0
Bi Bi31 1 0.06563419 0.99574506 0.17287420 1.0
