Ho20InGa8Bi3
High-Entropy Materials HEAMP-ID: mp-3292782 · Space group: P422 (#89)
Basic Information
Formula
Ho20InGa8Bi3
MP-ID
mp-3292782
Elements
4
Sites
32
Density
9.1048
g/cm³
Volume
838.61
ų
Cell a
8.0648
Å
Cell b
8.0648
Å
Cell c
12.8936
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P422
Point Group
422
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 15.54 | 5.7027 | 3.0 | (1,1,0) |
| 22.04 | 4.0324 | 1.3 | (2,0,0) |
| 25.65 | 3.4734 | 24.6 | (2,1,1) |
| 31.37 | 2.8513 | 16.7 | (2,2,0) |
| 31.89 | 2.8061 | 40.3 | (1,1,4) |
| 32.41 | 2.7628 | 100.0 | (2,1,3) |
| 35.19 | 2.5503 | 80.7 | (3,1,0) |
| 35.66 | 2.5178 | 32.2 | (2,0,4) |
| 42.05 | 2.1489 | 4.7 | (0,0,6) |
| 42.32 | 2.1357 | 6.5 | (2,2,4) |
| 43.12 | 2.0977 | 9.4 | (2,1,5) |
| 44.96 | 2.0162 | 2.3 | (4,0,0) |
| 45.09 | 2.0109 | 2.6 | (1,1,6) |
| 45.34 | 2.0000 | 1.2 | (3,1,4) |
| 45.73 | 1.9841 | 4.4 | (3,2,3) |
| 46.99 | 1.9339 | 2.6 | (4,1,1) |
| 47.85 | 1.9009 | 4.1 | (3,3,0) |
| 47.97 | 1.8964 | 2.1 | (2,0,6) |
| 50.62 | 1.8033 | 14.3 | (4,2,0) |
| 51.32 | 1.7803 | 12.3 | (4,1,3) |
| 53.62 | 1.7094 | 18.3 | (4,0,4) |
| 55.95 | 1.6433 | 4.6 | (3,1,6) |
| 56.06 | 1.6404 | 10.5 | (2,1,7) |
| 56.18 | 1.6374 | 20.5 | (3,3,4) |
Energy Properties
Formation Energy/atom
-0.66372
eV/atom
Energy/atom
-30.26542
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.2654
eV/atom
Volume/atom
26.21
ų
c/a Ratio
1.5988
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.6795
μB
Mag. Ordering
FM
Mag. Sites
12
Magnetization/Volume
0.002000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 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
7.5179
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.376%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3102
smaller = more stable mixing
VEC
8.188
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.314
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-3292782
Reference Citation
The crystal structure and related material properties of Ho20InGa8Bi3 were obtained from the Materials Project database (MP-ID: mp-3292782, 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_Ho20InGa8Bi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.06479056
_cell_length_b 8.06479056
_cell_length_c 12.89359081
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho20InGa8Bi3
_chemical_formula_sum 'Ho20 In1 Ga8 Bi3'
_cell_volume 838.61006354
_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 0.00000000 0.50000000 0.74266784 1.0
Ho Ho1 1 0.00000000 0.50000000 0.25805124 1.0
Ho Ho2 1 0.50000000 0.00000000 0.25105169 1.0
Ho Ho3 1 0.50000000 0.00000000 0.74815617 1.0
Ho Ho4 1 0.65789827 0.64897214 0.60934052 1.0
Ho Ho5 1 0.65298204 0.34807525 0.10870351 1.0
Ho Ho6 1 0.85076703 0.84235581 0.39062793 1.0
Ho Ho7 1 0.15216909 0.84724216 0.89135207 1.0
Ho Ho8 1 0.34210173 0.35102786 0.60934052 1.0
Ho Ho9 1 0.34701796 0.65192475 0.10870351 1.0
Ho Ho10 1 0.14923297 0.15764419 0.39062793 1.0
Ho Ho11 1 0.84783091 0.15275784 0.89135207 1.0
Ho Ho12 1 0.65764419 0.35076703 0.39062793 1.0
Ho Ho13 1 0.34724216 0.34783091 0.89135207 1.0
Ho Ho14 1 0.14897214 0.84210173 0.60934052 1.0
Ho Ho15 1 0.84807525 0.84701796 0.10870351 1.0
Ho Ho16 1 0.34235581 0.64923297 0.39062793 1.0
Ho Ho17 1 0.65275784 0.65216909 0.89135207 1.0
Ho Ho18 1 0.85102786 0.15789827 0.60934052 1.0
Ho Ho19 1 0.15192475 0.15298204 0.10870351 1.0
In In20 1 0.00000000 0.50000000 0.50023196 1.0
Ga Ga21 1 0.84984664 0.85192938 0.75185593 1.0
Ga Ga22 1 0.84985406 0.14807378 0.24814097 1.0
Ga Ga23 1 0.64807378 0.65014594 0.24814097 1.0
Ga Ga24 1 0.35192938 0.65015336 0.75185593 1.0
Ga Ga25 1 0.15015336 0.14807062 0.75185593 1.0
Ga Ga26 1 0.15014594 0.85192622 0.24814097 1.0
Ga Ga27 1 0.35192622 0.34985406 0.24814097 1.0
Ga Ga28 1 0.64807062 0.34984664 0.75185593 1.0
Bi Bi29 1 0.00000000 0.50000000 0.00022625 1.0
Bi Bi30 1 0.50000000 0.00000000 0.49975089 1.0
Bi Bi31 1 0.50000000 0.00000000 0.99977926 1.0
