Er20CoBi10Ru
High-Entropy Materials HEAMP-ID: mp-3296892 · Space group: Pm (#6)
Basic Information
Formula
Er20CoBi10Ru
MP-ID
mp-3296892
Elements
4
Sites
32
Density
10.4357
g/cm³
Volume
890.28
ų
Cell a
7.9910
Å
Cell b
9.2541
Å
Cell c
12.0391
Å
α Angle
90.00
°
β Angle
90.11
°
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 |
|---|---|---|---|
| 13.29 | 6.6636 | 1.0 | (1,0,-1) |
| 14.65 | 6.0481 | 1.2 | (1,1,0) |
| 22.20 | 4.0042 | 1.5 | (1,2,0) |
| 22.25 | 3.9955 | 6.3 | (2,0,0) |
| 23.41 | 3.8006 | 3.2 | (1,2,-1) |
| 23.42 | 3.7985 | 3.2 | (1,2,1) |
| 23.45 | 3.7942 | 4.7 | (2,0,-1) |
| 23.47 | 3.7900 | 4.6 | (2,0,1) |
| 24.26 | 3.6685 | 3.3 | (0,2,2) |
| 24.81 | 3.5889 | 12.7 | (1,0,-3) |
| 24.85 | 3.5835 | 10.1 | (1,0,3) |
| 26.64 | 3.3461 | 1.7 | (1,1,-3) |
| 26.68 | 3.3417 | 2.1 | (1,1,3) |
| 26.73 | 3.3354 | 6.7 | (1,2,-2) |
| 26.75 | 3.3325 | 7.7 | (1,2,2) |
| 28.47 | 3.1348 | 4.8 | (2,1,-2) |
| 28.52 | 3.1300 | 5.8 | (2,1,2) |
| 28.95 | 3.0847 | 2.8 | (0,3,0) |
| 29.68 | 3.0098 | 9.9 | (0,0,4) |
| 30.47 | 2.9339 | 97.6 | (2,2,-1) |
| 30.49 | 2.9320 | 100.0 | (2,2,1) |
| 31.08 | 2.8777 | 30.7 | (1,3,0) |
| 31.25 | 2.8622 | 4.4 | (0,1,4) |
| 31.55 | 2.8359 | 76.9 | (1,2,-3) |
Energy Properties
Formation Energy/atom
-0.71533
eV/atom
Energy/atom
-41.40878
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-41.4088
eV/atom
Volume/atom
27.82
ų
c/a Ratio
1.5066
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.4388
μB
Mag. Ordering
FiM
Mag. Sites
13
Magnetization/Volume
0.002740
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 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
0.8738
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2652
J/mol·K
Ω Parameter
5.5232
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.172%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3814
smaller = more stable mixing
VEC
9.594
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
1.885
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6303
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296892
Reference Citation
The crystal structure and related material properties of Er20CoBi10Ru were obtained from the Materials Project database (MP-ID: mp-3296892, 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_Er20CoBi10Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.99096806
_cell_length_b 9.25410800
_cell_length_c 12.03909353
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.10754115
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er20CoBi10Ru
_chemical_formula_sum 'Er20 Co1 Bi10 Ru1'
_cell_volume 890.28074697
_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
Er Er0 1 0.43316915 0.17864685 0.56434543 1.0
Er Er1 1 0.56855052 0.82285193 0.06368978 1.0
Er Er2 1 0.07227794 0.72297318 0.43376242 1.0
Er Er3 1 0.92684126 0.27083682 0.93597522 1.0
Er Er4 1 0.07227794 0.27702682 0.43376242 1.0
Er Er5 1 0.92684126 0.72916318 0.93597522 1.0
Er Er6 1 0.43316915 0.82135315 0.56434543 1.0
Er Er7 1 0.56855052 0.17714807 0.06368978 1.0
Er Er8 1 0.57563637 0.50000000 0.77446999 1.0
Er Er9 1 0.42407748 0.50000000 0.27444676 1.0
Er Er10 1 0.90658449 0.00000000 0.20003038 1.0
Er Er11 1 0.09262214 0.00000000 0.70513774 1.0
Er Er12 1 0.25928694 0.50000000 0.99259114 1.0
Er Er13 1 0.74105005 0.50000000 0.49392271 1.0
Er Er14 1 0.19642642 0.00000000 0.99663751 1.0
Er Er15 1 0.80469073 0.00000000 0.49512391 1.0
Er Er16 1 0.09091398 0.50000000 0.71731254 1.0
Er Er17 1 0.90665768 0.50000000 0.21652916 1.0
Er Er18 1 0.37288230 0.00000000 0.30662513 1.0
Er Er19 1 0.63185728 0.00000000 0.81176741 1.0
Co Co20 1 0.82244735 0.00000000 0.99044448 1.0
Bi Bi21 1 0.81565355 0.74081740 0.67179949 1.0
Bi Bi22 1 0.18373086 0.26009825 0.17021358 1.0
Bi Bi23 1 0.68010284 0.24241197 0.32517449 1.0
Bi Bi24 1 0.32020557 0.75831152 0.82591117 1.0
Bi Bi25 1 0.68010284 0.75758803 0.32517449 1.0
Bi Bi26 1 0.32020557 0.24168848 0.82591117 1.0
Bi Bi27 1 0.81565355 0.25918260 0.67179949 1.0
Bi Bi28 1 0.18373086 0.73990175 0.17021358 1.0
Bi Bi29 1 0.34823285 0.50000000 0.52839355 1.0
Bi Bi30 1 0.65297204 0.50000000 0.02691010 1.0
Ru Ru31 1 0.17259753 0.00000000 0.48791634 1.0
