Y20Co3Bi8Os
High-Entropy Materials HEAMP-ID: mp-3293419 · Space group: Pm (#6)
Basic Information
Formula
Y20Co3Bi8Os
MP-ID
mp-3293419
Elements
4
Sites
32
Density
7.0942
g/cm³
Volume
893.44
ų
Cell a
8.0373
Å
Cell b
8.9508
Å
Cell c
12.4194
Å
α Angle
90.00
°
β Angle
90.28
°
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 |
|---|---|---|---|
| 7.12 | 12.4192 | 3.6 | (0,0,1) |
| 9.88 | 8.9508 | 2.1 | (0,1,0) |
| 11.01 | 8.0373 | 1.8 | (1,0,0) |
| 12.19 | 7.2614 | 3.1 | (0,1,1) |
| 13.09 | 6.7626 | 4.5 | (1,0,-1) |
| 13.15 | 6.7325 | 5.3 | (1,0,1) |
| 14.26 | 6.2096 | 4.2 | (0,0,2) |
| 14.81 | 5.9802 | 4.6 | (1,1,0) |
| 16.43 | 5.3957 | 2.2 | (1,1,-1) |
| 16.48 | 5.3804 | 1.3 | (1,1,1) |
| 17.38 | 5.1020 | 1.5 | (0,1,2) |
| 18.01 | 4.9255 | 3.8 | (1,0,-2) |
| 18.10 | 4.9023 | 12.0 | (1,0,2) |
| 19.84 | 4.4754 | 22.3 | (0,2,0) |
| 20.58 | 4.3153 | 1.8 | (1,1,-2) |
| 20.66 | 4.2996 | 1.8 | (1,1,2) |
| 22.12 | 4.0186 | 29.8 | (2,0,0) |
| 23.23 | 3.8289 | 14.2 | (2,0,-1) |
| 23.30 | 3.8180 | 9.6 | (2,0,1) |
| 23.84 | 3.7322 | 14.9 | (1,2,-1) |
| 23.88 | 3.7271 | 15.3 | (1,2,1) |
| 24.13 | 3.6876 | 32.7 | (1,0,-3) |
| 24.23 | 3.6729 | 28.5 | (1,0,3) |
| 24.52 | 3.6307 | 17.6 | (0,2,2) |
Energy Properties
Formation Energy/atom
-0.64068
eV/atom
Energy/atom
-30.85875
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.8588
eV/atom
Volume/atom
27.92
ų
c/a Ratio
1.5452
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
5.1081
μB
Mag. Ordering
FiM
Mag. Sites
17
Magnetization/Volume
0.005720
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
0.4758
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.507%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3812
smaller = more stable mixing
VEC
4.219
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-25.939
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-3293419
Reference Citation
The crystal structure and related material properties of Y20Co3Bi8Os were obtained from the Materials Project database (MP-ID: mp-3293419, 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_Y20Co3Bi8Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.03734286
_cell_length_b 8.95079303
_cell_length_c 12.41934975
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.28049842
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y20Co3Bi8Os
_chemical_formula_sum 'Y20 Co3 Bi8 Os1'
_cell_volume 893.44467236
_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 0.84339184 0.75000000 0.79698851 1.0
Y Y1 1 0.15542535 0.25000000 0.20131222 1.0
Y Y2 1 0.34626976 0.25000000 0.70185778 1.0
Y Y3 1 0.65716196 0.75000000 0.29320063 1.0
Y Y4 1 0.37727011 0.75000000 0.69345891 1.0
Y Y5 1 0.61769885 0.25000000 0.31096494 1.0
Y Y6 1 0.88219605 0.25000000 0.81259492 1.0
Y Y7 1 0.11763325 0.75000000 0.18808403 1.0
Y Y8 1 0.94578481 0.75000000 0.50214464 1.0
Y Y9 1 0.05496087 0.25000000 0.49630793 1.0
Y Y10 1 0.44776085 0.25000000 0.99809725 1.0
Y Y11 1 0.55086130 0.75000000 0.00186053 1.0
Y Y12 1 0.67710121 0.03775041 0.56655888 1.0
Y Y13 1 0.32617086 0.95982457 0.43428738 1.0
Y Y14 1 0.17493114 0.96435170 0.93525889 1.0
Y Y15 1 0.32617086 0.54017543 0.43428738 1.0
Y Y16 1 0.82410433 0.03811392 0.06484094 1.0
Y Y17 1 0.67710121 0.46224959 0.56655888 1.0
Y Y18 1 0.82410433 0.46188608 0.06484094 1.0
Y Y19 1 0.17493114 0.53564830 0.93525889 1.0
Co Co20 1 0.42911053 0.25000000 0.49035588 1.0
Co Co21 1 0.06636393 0.25000000 0.99239831 1.0
Co Co22 1 0.93185331 0.75000000 0.00756991 1.0
Bi Bi23 1 0.56977722 0.49039691 0.82856389 1.0
Bi Bi24 1 0.42975118 0.50837101 0.17216303 1.0
Bi Bi25 1 0.06847164 0.50735734 0.67305617 1.0
Bi Bi26 1 0.42975118 0.99162899 0.17216303 1.0
Bi Bi27 1 0.93169478 0.49092609 0.32658364 1.0
Bi Bi28 1 0.56977722 0.00960309 0.82856389 1.0
Bi Bi29 1 0.93169478 0.00907391 0.32658364 1.0
Bi Bi30 1 0.06847164 0.99264266 0.67305617 1.0
Os Os31 1 0.57225352 0.75000000 0.51017099 1.0
