Y8Ho12GaBi11
High-Entropy Materials HEAMP-ID: mp-3292359 · Space group: Pm (#6)
Basic Information
Formula
Y8Ho12GaBi11
MP-ID
mp-3292359
Elements
4
Sites
32
Density
9.0758
g/cm³
Volume
925.60
ų
Cell a
8.1900
Å
Cell b
9.3785
Å
Cell c
12.0508
Å
α Angle
90.00
°
β Angle
90.32
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 7.34 | 12.0506 | 2.9 | (0,0,1) |
| 9.43 | 9.3785 | 1.0 | (0,1,0) |
| 13.04 | 6.7910 | 5.6 | (1,0,-1) |
| 13.10 | 6.7563 | 4.1 | (1,0,1) |
| 14.70 | 6.0253 | 20.8 | (0,0,2) |
| 18.33 | 4.8406 | 3.3 | (1,0,2) |
| 18.93 | 4.6892 | 7.0 | (0,2,0) |
| 20.32 | 4.3700 | 1.1 | (0,2,1) |
| 20.56 | 4.3193 | 1.3 | (1,1,-2) |
| 21.70 | 4.0949 | 13.3 | (2,0,0) |
| 21.84 | 4.0694 | 1.2 | (1,2,0) |
| 22.90 | 3.8837 | 15.5 | (2,0,-1) |
| 22.98 | 3.8707 | 17.6 | (2,0,1) |
| 23.05 | 3.8587 | 6.0 | (1,2,-1) |
| 23.09 | 3.8523 | 7.3 | (1,2,1) |
| 24.05 | 3.7006 | 25.7 | (0,2,2) |
| 24.63 | 3.6143 | 23.4 | (1,0,-3) |
| 24.74 | 3.5986 | 32.3 | (1,0,3) |
| 24.81 | 3.5882 | 1.9 | (2,1,-1) |
| 26.25 | 3.3955 | 1.1 | (2,0,-2) |
| 26.40 | 3.3766 | 1.8 | (1,2,-2) |
| 26.43 | 3.3725 | 2.1 | (1,1,-3) |
| 29.52 | 3.0260 | 12.5 | (0,3,1) |
| 29.65 | 3.0127 | 11.2 | (0,0,4) |
Energy Properties
Formation Energy/atom
-0.81231
eV/atom
Energy/atom
-38.68895
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.6890
eV/atom
Volume/atom
28.93
ų
c/a Ratio
1.4714
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.1960
μB
Mag. Ordering
FM
Mag. Sites
12
Magnetization/Volume
0.003450
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
1.1898
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.8917
J/mol·K
Ω Parameter
1.2122
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
6.091%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3776
smaller = more stable mixing
VEC
6.688
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-10.581
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8582
SS Former
1
Phase Tendency
SS
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292359
Reference Citation
The crystal structure and related material properties of Y8Ho12GaBi11 were obtained from the Materials Project database (MP-ID: mp-3292359, 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_Y8Ho12GaBi11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18997250
_cell_length_b 9.37847854
_cell_length_c 12.05077737
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.31578096
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y8Ho12GaBi11
_chemical_formula_sum 'Y8 Ho12 Ga1 Bi11'
_cell_volume 925.59990103
_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
Y Y0 1 0.18918102 0.75000000 0.72193565 1.0
Y Y1 1 0.67074630 0.75000000 0.78942533 1.0
Y Y2 1 0.81363481 0.25000000 0.28157879 1.0
Y Y3 1 0.31577408 0.25000000 0.21884640 1.0
Y Y4 1 0.35387350 0.75000000 0.20528052 1.0
Y Y5 1 0.85130421 0.75000000 0.28581509 1.0
Y Y6 1 0.65106679 0.25000000 0.78610543 1.0
Y Y7 1 0.14860120 0.25000000 0.71532264 1.0
Ho Ho8 1 0.03382882 0.75000000 0.99087073 1.0
Ho Ho9 1 0.52548656 0.75000000 0.51087094 1.0
Ho Ho10 1 0.97930980 0.25000000 0.00937890 1.0
Ho Ho11 1 0.47491350 0.25000000 0.48921546 1.0
Ho Ho12 1 0.30952104 0.45065086 0.94092068 1.0
Ho Ho13 1 0.80613505 0.06367994 0.55920539 1.0
Ho Ho14 1 0.68431034 0.92929555 0.05443505 1.0
Ho Ho15 1 0.19438310 0.56426921 0.43903645 1.0
Ho Ho16 1 0.68431034 0.57070445 0.05443505 1.0
Ho Ho17 1 0.19438310 0.93573079 0.43903645 1.0
Ho Ho18 1 0.30952104 0.04934914 0.94092068 1.0
Ho Ho19 1 0.80613505 0.43632006 0.55920539 1.0
Ga Ga20 1 0.40996784 0.75000000 0.96285778 1.0
Bi Bi21 1 0.43645621 0.00425916 0.67376255 1.0
Bi Bi22 1 0.93656601 0.49810901 0.82635423 1.0
Bi Bi23 1 0.56428433 0.50441193 0.32719756 1.0
Bi Bi24 1 0.06265805 0.99733210 0.17360130 1.0
Bi Bi25 1 0.56428433 0.99558807 0.32719756 1.0
Bi Bi26 1 0.06265805 0.50266790 0.17360130 1.0
Bi Bi27 1 0.43645621 0.49574084 0.67376255 1.0
Bi Bi28 1 0.93656601 0.00189099 0.82635423 1.0
Bi Bi29 1 0.91108026 0.75000000 0.54281745 1.0
Bi Bi30 1 0.59156760 0.25000000 0.04109874 1.0
Bi Bi31 1 0.09103748 0.25000000 0.45955772 1.0
