Ho20Bi5Ir4Pb3
高熵材料 HEAMP-ID: mp-3293144 · Space group: P1 (#1)
Basic Information
Formula
Ho20Bi5Ir4Pb3
MP-ID
mp-3293144
Elements
4
Sites
32
Density
10.8448
g/cm³
Volume
877.98
ų
Cell a
7.9575
Å
Cell b
8.8989
Å
Cell c
12.3987
Å
α Angle
90.10
°
β Angle
90.03
°
γ Angle
90.01
°
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 |
|---|---|---|---|
| 13.22 | 6.6983 | 1.9 | (1,0,-1) |
| 13.22 | 6.6954 | 1.5 | (1,0,1) |
| 14.29 | 6.1993 | 5.1 | (0,0,2) |
| 14.93 | 5.9325 | 4.5 | (1,-1,0) |
| 14.94 | 5.9311 | 4.0 | (1,1,0) |
| 18.14 | 4.8915 | 1.6 | (1,0,-2) |
| 18.14 | 4.8893 | 1.4 | (1,0,2) |
| 20.71 | 4.2889 | 1.4 | (1,1,-2) |
| 20.72 | 4.2879 | 1.3 | (1,-1,2) |
| 20.73 | 4.2844 | 1.1 | (1,-1,-2) |
| 20.74 | 4.2823 | 1.1 | (1,1,2) |
| 22.34 | 3.9787 | 20.3 | (2,0,0) |
| 23.48 | 3.7890 | 1.9 | (2,0,-1) |
| 23.49 | 3.7879 | 1.8 | (2,0,1) |
| 24.00 | 3.7078 | 4.6 | (1,-2,1) |
| 24.00 | 3.7075 | 4.7 | (1,2,-1) |
| 24.02 | 3.7050 | 4.9 | (1,-2,-1) |
| 24.03 | 3.7038 | 4.7 | (1,2,1) |
| 24.26 | 3.6684 | 17.9 | (1,0,-3) |
| 24.27 | 3.6670 | 17.6 | (1,0,3) |
| 24.61 | 3.6178 | 3.5 | (0,2,-2) |
| 24.65 | 3.6118 | 3.7 | (0,2,2) |
| 27.07 | 3.2935 | 6.9 | (1,2,-2) |
| 27.08 | 3.2933 | 6.6 | (1,-2,2) |
Energy Properties
Formation Energy/atom
-0.86335
eV/atom
Energy/atom
-42.37682
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-42.3768
eV/atom
Volume/atom
27.44
ų
c/a Ratio
1.5581
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.8842
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.001010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0656
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.8598
J/mol·K
Ω Parameter
5.7160
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.843%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4556
smaller = more stable mixing
VEC
9.156
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
2.430
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7687
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293144
Reference Citation
The crystal structure and related material properties of Ho20Bi5Ir4Pb3 were obtained from the Materials Project database (MP-ID: mp-3293144, 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_Ho20Bi5Ir4Pb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95745530
_cell_length_b 8.89887376
_cell_length_c 12.39867925
_cell_angle_alpha 90.10078597
_cell_angle_beta 90.02667869
_cell_angle_gamma 90.01387785
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho20Bi5Ir4Pb3
_chemical_formula_sum 'Ho20 Bi5 Ir4 Pb3'
_cell_volume 877.97863329
_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
Ho Ho0 1 0.83844688 0.74456831 0.79265654 1.0
Ho Ho1 1 0.16274807 0.25260819 0.20602826 1.0
Ho Ho2 1 0.33849800 0.25488106 0.70858300 1.0
Ho Ho3 1 0.65896625 0.74714807 0.29285239 1.0
Ho Ho4 1 0.37394793 0.74493923 0.69301641 1.0
Ho Ho5 1 0.62230455 0.25319248 0.30694160 1.0
Ho Ho6 1 0.87383830 0.25501135 0.80664087 1.0
Ho Ho7 1 0.12897915 0.74707670 0.19163965 1.0
Ho Ho8 1 0.94473131 0.74798115 0.50296870 1.0
Ho Ho9 1 0.05698256 0.25161988 0.49998550 1.0
Ho Ho10 1 0.44595100 0.25492015 0.99819918 1.0
Ho Ho11 1 0.55460405 0.74502914 0.00168902 1.0
Ho Ho12 1 0.67364440 0.04114878 0.56688094 1.0
Ho Ho13 1 0.32522167 0.95954195 0.43378807 1.0
Ho Ho14 1 0.17459243 0.96031682 0.93312758 1.0
Ho Ho15 1 0.32645789 0.54025669 0.43238426 1.0
Ho Ho16 1 0.82620970 0.03958343 0.06613711 1.0
Ho Ho17 1 0.67471230 0.46087841 0.56984023 1.0
Ho Ho18 1 0.82308793 0.46079269 0.06494193 1.0
Ho Ho19 1 0.17626711 0.53928099 0.93208055 1.0
Bi Bi20 1 0.43504936 0.99132189 0.17163707 1.0
Bi Bi21 1 0.93416018 0.49025689 0.32752084 1.0
Bi Bi22 1 0.56504413 0.00819358 0.82804461 1.0
Bi Bi23 1 0.93486998 0.00901026 0.32759836 1.0
Bi Bi24 1 0.06450035 0.99114018 0.67318307 1.0
Ir Ir25 1 0.56920739 0.75091093 0.50879511 1.0
Ir Ir26 1 0.43071277 0.24978956 0.49189370 1.0
Ir Ir27 1 0.06751078 0.24953625 0.99125502 1.0
Ir Ir28 1 0.93261290 0.75050644 0.00858796 1.0
Pb Pb29 1 0.56582014 0.49125223 0.82814903 1.0
Pb Pb30 1 0.43460250 0.50856660 0.17254307 1.0
Pb Pb31 1 0.06571904 0.50874074 0.67041138 1.0
