Basic Information
Formula
Dy15Ho5Bi12
MP-ID
mp-3294264
Elements
3
Sites
32
Density
10.2550
g/cm³
Volume
934.29
ų
Cell a
8.2283
Å
Cell b
9.4323
Å
Cell c
12.0380
Å
α Angle
89.99
°
β Angle
90.02
°
γ Angle
89.98
°
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 |
|---|---|---|---|
| 14.72 | 6.0190 | 1.9 | (0,0,2) |
| 18.82 | 4.7161 | 1.3 | (0,2,0) |
| 21.60 | 4.1142 | 4.6 | (2,0,0) |
| 22.84 | 3.8934 | 4.7 | (2,0,-1) |
| 22.84 | 3.8927 | 4.8 | (2,0,1) |
| 22.95 | 3.8746 | 6.2 | (1,2,-1) |
| 22.95 | 3.8745 | 6.2 | (1,2,1) |
| 22.96 | 3.8738 | 6.2 | (1,-2,-1) |
| 22.96 | 3.8733 | 6.2 | (1,-2,1) |
| 23.59 | 3.7715 | 2.1 | (2,1,0) |
| 23.60 | 3.7706 | 2.1 | (2,-1,0) |
| 23.97 | 3.7125 | 3.6 | (0,2,2) |
| 23.97 | 3.7121 | 3.6 | (0,2,-2) |
| 24.10 | 3.6926 | 1.1 | (0,1,3) |
| 24.10 | 3.6923 | 1.0 | (0,1,-3) |
| 24.68 | 3.6071 | 22.0 | (1,0,-3) |
| 24.69 | 3.6062 | 22.0 | (1,0,3) |
| 29.36 | 3.0421 | 7.1 | (0,3,1) |
| 29.36 | 3.0420 | 6.8 | (0,3,-1) |
| 29.69 | 3.0095 | 20.6 | (0,0,4) |
| 29.75 | 3.0029 | 48.4 | (2,2,-1) |
| 29.75 | 3.0027 | 48.2 | (2,2,1) |
| 29.76 | 3.0021 | 48.3 | (2,-2,-1) |
| 29.76 | 3.0017 | 48.4 | (2,-2,1) |
Energy Properties
Formation Energy/atom
-0.81680
eV/atom
Energy/atom
-42.88433
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-42.8843
eV/atom
Volume/atom
29.20
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
2.5774
μB
Mag. Ordering
FM
Mag. Sites
15
Magnetization/Volume
0.002760
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.469
Element Family
Lanthanide
Solute Fraction
0.531
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0130
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.4223
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
0.3861
smaller = more stable mixing
VEC
8.281
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9221
SS Former
1
Phase Tendency
SS
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294264
Reference Citation
The crystal structure and related material properties of Dy15Ho5Bi12 were obtained from the Materials Project database (MP-ID: mp-3294264, 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_Dy15Ho5Bi12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.22833049
_cell_length_b 9.43227949
_cell_length_c 12.03796680
_cell_angle_alpha 89.99404307
_cell_angle_beta 90.01674651
_cell_angle_gamma 89.98135940
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy15Ho5Bi12
_chemical_formula_sum 'Dy15 Ho5 Bi12'
_cell_volume 934.28953724
_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 0.35417470 0.75032925 0.21480918 1.0
Dy Dy1 1 0.85398823 0.75037121 0.28506823 1.0
Dy Dy2 1 0.64587873 0.24986819 0.78519550 1.0
Dy Dy3 1 0.14624816 0.25026230 0.71503723 1.0
Dy Dy4 1 0.80580900 0.06255996 0.55964044 1.0
Dy Dy5 1 0.69366382 0.93734005 0.05947529 1.0
Dy Dy6 1 0.19432345 0.56256670 0.44025540 1.0
Dy Dy7 1 0.47532607 0.24987318 0.48842805 1.0
Dy Dy8 1 0.97540803 0.25018302 0.01160132 1.0
Dy Dy9 1 0.52473006 0.75000166 0.51162641 1.0
Dy Dy10 1 0.02469370 0.75019198 0.98843601 1.0
Dy Dy11 1 0.31589492 0.24994699 0.21749939 1.0
Dy Dy12 1 0.81590338 0.25003457 0.28228375 1.0
Dy Dy13 1 0.68421705 0.75016298 0.78246736 1.0
Dy Dy14 1 0.18410070 0.74998698 0.71765428 1.0
Ho Ho15 1 0.69380362 0.56394132 0.05942068 1.0
Ho Ho16 1 0.19347977 0.93602875 0.44065188 1.0
Ho Ho17 1 0.30647361 0.06372203 0.94073134 1.0
Ho Ho18 1 0.80641732 0.43604548 0.55942342 1.0
Ho Ho19 1 0.30577890 0.43670068 0.94038598 1.0
Bi Bi20 1 0.40818538 0.74987669 0.95872253 1.0
Bi Bi21 1 0.90852613 0.74896211 0.54105826 1.0
Bi Bi22 1 0.59130824 0.25126148 0.04099491 1.0
Bi Bi23 1 0.09144952 0.24900700 0.45895116 1.0
Bi Bi24 1 0.56618863 0.99594927 0.32617900 1.0
Bi Bi25 1 0.06627585 0.50432560 0.17366893 1.0
Bi Bi26 1 0.43383553 0.49586255 0.67393312 1.0
Bi Bi27 1 0.93378661 0.00437649 0.82629209 1.0
Bi Bi28 1 0.43312175 0.00419587 0.67388930 1.0
Bi Bi29 1 0.93347606 0.49584894 0.82637476 1.0
Bi Bi30 1 0.56672735 0.50429115 0.32615541 1.0
Bi Bi31 1 0.06680373 0.99592656 0.17368841 1.0
