Ho3Er2Bi2Ir
High-Entropy Materials HEAMP-ID: mp-3292925 · Space group: Pnma (#62)
Basic Information
Formula
Ho3Er2Bi2Ir
MP-ID
mp-3292925
Elements
4
Sites
32
Density
10.8745
g/cm³
Volume
879.24
ų
Cell a
7.9947
Å
Cell b
8.8480
Å
Cell c
12.4298
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
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 |
|---|---|---|---|
| 13.17 | 6.7240 | 2.1 | (1,0,1) |
| 14.25 | 6.2149 | 2.8 | (0,0,2) |
| 14.93 | 5.9319 | 4.1 | (1,1,0) |
| 18.08 | 4.9067 | 1.3 | (1,0,2) |
| 20.70 | 4.2910 | 2.4 | (1,1,2) |
| 22.24 | 3.9974 | 9.7 | (2,0,0) |
| 23.38 | 3.8054 | 1.9 | (2,0,1) |
| 24.08 | 3.6958 | 8.5 | (1,2,1) |
| 24.19 | 3.6786 | 17.0 | (1,0,3) |
| 24.70 | 3.6041 | 3.5 | (0,2,2) |
| 27.14 | 3.2857 | 12.5 | (1,2,2) |
| 28.40 | 3.1428 | 3.4 | (2,1,2) |
| 28.73 | 3.1074 | 4.7 | (0,0,4) |
| 30.87 | 2.8964 | 60.3 | (1,0,4) |
| 31.00 | 2.8850 | 100.0 | (2,2,1) |
| 31.09 | 2.8768 | 21.7 | (2,0,3) |
| 31.63 | 2.8285 | 74.5 | (1,2,3) |
| 32.35 | 2.7670 | 18.0 | (1,3,0) |
| 32.53 | 2.7526 | 8.7 | (1,1,4) |
| 33.17 | 2.7009 | 4.0 | (1,3,1) |
| 33.48 | 2.6768 | 63.3 | (2,2,2) |
| 33.64 | 2.6645 | 2.7 | (0,3,2) |
| 34.42 | 2.6057 | 21.9 | (3,0,1) |
| 35.17 | 2.5517 | 4.0 | (3,1,0) |
Energy Properties
Formation Energy/atom
-0.90134
eV/atom
Energy/atom
-42.88369
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-42.8837
eV/atom
Volume/atom
27.48
ų
c/a Ratio
1.5548
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.2329
μB
Mag. Ordering
FM
Mag. Sites
20
Magnetization/Volume
0.003680
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.375
Element Family
Lanthanide
Solute Fraction
0.625
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3209
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.9819
J/mol·K
Ω Parameter
7.0729
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.882%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4129
smaller = more stable mixing
VEC
9.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
2.452
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9528
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292925
Reference Citation
The crystal structure and related material properties of Ho3Er2Bi2Ir were obtained from the Materials Project database (MP-ID: mp-3292925, 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…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Ho3Er2Bi2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.99469343
_cell_length_b 8.84798992
_cell_length_c 12.42976630
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho3Er2Bi2Ir
_chemical_formula_sum 'Ho12 Er8 Bi8 Ir4'
_cell_volume 879.24396738
_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
Ho Ho0 1 0.66194967 0.75000000 0.70633166 1.0
Ho Ho1 1 0.33805033 0.25000000 0.29366834 1.0
Ho Ho2 1 0.16194967 0.25000000 0.79366834 1.0
Ho Ho3 1 0.83805033 0.75000000 0.20633166 1.0
Ho Ho4 1 0.12410935 0.75000000 0.80828296 1.0
Ho Ho5 1 0.87589065 0.25000000 0.19171704 1.0
Ho Ho6 1 0.62410935 0.25000000 0.69171704 1.0
Ho Ho7 1 0.37589065 0.75000000 0.30828296 1.0
Ho Ho8 1 0.55880398 0.75000000 0.99854875 1.0
Ho Ho9 1 0.44119602 0.25000000 0.00145125 1.0
Ho Ho10 1 0.05880398 0.25000000 0.50145125 1.0
Ho Ho11 1 0.94119602 0.75000000 0.49854875 1.0
Er Er12 1 0.82752186 0.45691308 0.93376525 1.0
Er Er13 1 0.17247814 0.54308692 0.06623475 1.0
Er Er14 1 0.32752186 0.54308692 0.56623475 1.0
Er Er15 1 0.17247814 0.95691308 0.06623475 1.0
Er Er16 1 0.67247814 0.45691308 0.43376525 1.0
Er Er17 1 0.82752186 0.04308692 0.93376525 1.0
Er Er18 1 0.67247814 0.04308692 0.43376525 1.0
Er Er19 1 0.32752186 0.95691308 0.56623475 1.0
Bi Bi20 1 0.93591262 0.00958884 0.67227986 1.0
Bi Bi21 1 0.06408738 0.99041116 0.32772014 1.0
Bi Bi22 1 0.43591262 0.99041116 0.82772014 1.0
Bi Bi23 1 0.06408738 0.50958884 0.32772014 1.0
Bi Bi24 1 0.56408738 0.00958884 0.17227986 1.0
Bi Bi25 1 0.93591262 0.49041116 0.67227986 1.0
Bi Bi26 1 0.56408738 0.49041116 0.17227986 1.0
Bi Bi27 1 0.43591262 0.50958884 0.82772014 1.0
Ir Ir28 1 0.92809201 0.75000000 0.99073759 1.0
Ir Ir29 1 0.07190799 0.25000000 0.00926241 1.0
Ir Ir30 1 0.42809201 0.25000000 0.50926241 1.0
Ir Ir31 1 0.57190799 0.75000000 0.49073759 1.0
