Y20Ga3GeBi8
High-Entropy Materials HEAMP-ID: mp-3292313 · Space group: Pm (#6)
Basic Information
Formula
Y20Ga3GeBi8
MP-ID
mp-3292313
Elements
4
Sites
32
Density
6.7746
g/cm³
Volume
914.70
ų
Cell a
12.1173
Å
Cell b
9.2517
Å
Cell c
8.1593
Å
α Angle
90.00
°
β Angle
90.06
°
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 |
|---|---|---|---|
| 13.07 | 6.7712 | 15.5 | (1,0,-1) |
| 13.09 | 6.7647 | 15.7 | (1,0,1) |
| 14.62 | 6.0586 | 12.2 | (2,0,0) |
| 18.23 | 4.8667 | 4.4 | (2,0,-1) |
| 18.25 | 4.8618 | 4.5 | (2,0,1) |
| 19.19 | 4.6259 | 26.4 | (0,2,0) |
| 21.79 | 4.0796 | 20.6 | (0,0,2) |
| 23.00 | 3.8676 | 12.6 | (1,0,-2) |
| 23.01 | 3.8652 | 12.7 | (1,0,2) |
| 23.29 | 3.8196 | 11.0 | (1,2,-1) |
| 23.30 | 3.8184 | 11.0 | (1,2,1) |
| 24.21 | 3.6767 | 14.5 | (2,2,0) |
| 24.58 | 3.6214 | 31.6 | (3,0,-1) |
| 24.60 | 3.6183 | 30.9 | (3,0,1) |
| 26.32 | 3.3856 | 1.7 | (2,0,-2) |
| 26.35 | 3.3823 | 1.6 | (2,0,2) |
| 28.07 | 3.1794 | 1.8 | (2,1,-2) |
| 28.09 | 3.1767 | 1.7 | (2,1,2) |
| 29.19 | 3.0597 | 8.9 | (0,2,2) |
| 29.49 | 3.0293 | 1.9 | (4,0,0) |
| 30.12 | 2.9672 | 97.2 | (1,2,-2) |
| 30.13 | 2.9661 | 97.5 | (1,2,2) |
| 31.00 | 2.8847 | 23.0 | (0,3,1) |
| 31.06 | 2.8789 | 1.3 | (4,1,0) |
Energy Properties
Formation Energy/atom
-0.82649
eV/atom
Energy/atom
-29.65432
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-29.6543
eV/atom
Volume/atom
28.58
ų
c/a Ratio
0.6734
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
8.5131
μB
Mag. Ordering
FM
Mag. Sites
19
Magnetization/Volume
0.009310
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Y · 0.625
Element Family
4d-TM
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
0.3866
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.624%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3657
smaller = more stable mixing
VEC
3.531
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-27.693
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7001
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292313
Reference Citation
The crystal structure and related material properties of Y20Ga3GeBi8 were obtained from the Materials Project database (MP-ID: mp-3292313, 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_Y20Ga3GeBi8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.11729235
_cell_length_b 9.25172481
_cell_length_c 8.15928892
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.05994092
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y20Ga3GeBi8
_chemical_formula_sum 'Y20 Ga3 Ge1 Bi8'
_cell_volume 914.70355286
_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 0.56534427 0.05263987 0.32044651 1.0
Y Y1 1 0.06535122 0.44814974 0.17971289 1.0
Y Y2 1 0.43465293 0.55203513 0.67976716 1.0
Y Y3 1 0.93476170 0.94825463 0.82037541 1.0
Y Y4 1 0.43465293 0.94796487 0.67976716 1.0
Y Y5 1 0.93476170 0.55174537 0.82037541 1.0
Y Y6 1 0.56534427 0.44736013 0.32044651 1.0
Y Y7 1 0.06535122 0.05185026 0.17971289 1.0
Y Y8 1 0.71437241 0.25000000 0.66745093 1.0
Y Y9 1 0.21529740 0.25000000 0.83278965 1.0
Y Y10 1 0.28472630 0.75000000 0.33190003 1.0
Y Y11 1 0.78603424 0.75000000 0.16659951 1.0
Y Y12 1 0.50066750 0.25000000 0.96268625 1.0
Y Y13 1 0.99977376 0.25000000 0.53800675 1.0
Y Y14 1 0.50058768 0.75000000 0.03705776 1.0
Y Y15 1 0.99924822 0.75000000 0.46242597 1.0
Y Y16 1 0.79766167 0.25000000 0.13855868 1.0
Y Y17 1 0.29804130 0.25000000 0.36071560 1.0
Y Y18 1 0.20259994 0.75000000 0.86126161 1.0
Y Y19 1 0.70096921 0.75000000 0.63936651 1.0
Ga Ga20 1 0.97900777 0.25000000 0.90573910 1.0
Ga Ga21 1 0.47862549 0.25000000 0.59438928 1.0
Ga Ga22 1 0.02193014 0.75000000 0.09472705 1.0
Ge Ge23 1 0.52006371 0.75000000 0.40519236 1.0
Bi Bi24 1 0.82608978 0.00827529 0.43379504 1.0
Bi Bi25 1 0.32737678 0.49175540 0.06674350 1.0
Bi Bi26 1 0.17343022 0.50878347 0.56642493 1.0
Bi Bi27 1 0.67318973 0.99127361 0.93330103 1.0
Bi Bi28 1 0.17343022 0.99121653 0.56642493 1.0
Bi Bi29 1 0.67318973 0.50872639 0.93330103 1.0
Bi Bi30 1 0.82608978 0.49172471 0.43379504 1.0
Bi Bi31 1 0.32737678 0.00824460 0.06674350 1.0
