Y3Er2Bi2Rh
High-Entropy Materials HEAMP-ID: mp-3296916 · Space group: Pnma (#62)
Basic Information
Formula
Y3Er2Bi2Rh
MP-ID
mp-3296916
Elements
4
Sites
32
Density
8.3950
g/cm³
Volume
887.81
ų
Cell a
7.9787
Å
Cell b
8.9396
Å
Cell c
12.4472
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
No
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 |
|---|---|---|---|
| 14.23 | 6.2236 | 1.1 | (0,0,2) |
| 19.86 | 4.4698 | 25.3 | (0,2,0) |
| 22.28 | 3.9893 | 7.6 | (2,0,0) |
| 23.42 | 3.7990 | 16.5 | (2,0,1) |
| 23.91 | 3.7212 | 6.7 | (1,2,1) |
| 24.18 | 3.6811 | 38.7 | (1,0,3) |
| 24.52 | 3.6305 | 2.6 | (0,2,2) |
| 26.54 | 3.3586 | 3.1 | (2,0,2) |
| 26.98 | 3.3045 | 8.7 | (1,2,2) |
| 28.39 | 3.1440 | 2.4 | (2,1,2) |
| 30.42 | 2.9388 | 1.4 | (0,1,4) |
| 30.84 | 2.8991 | 64.2 | (1,0,4) |
| 30.89 | 2.8947 | 100.0 | (2,2,1) |
| 31.10 | 2.8757 | 19.9 | (2,0,3) |
| 31.48 | 2.8415 | 87.1 | (1,2,3) |
| 32.06 | 2.7915 | 16.3 | (1,3,0) |
| 32.47 | 2.7577 | 3.8 | (1,1,4) |
| 32.88 | 2.7239 | 3.5 | (1,3,1) |
| 33.34 | 2.6877 | 3.5 | (0,3,2) |
| 33.37 | 2.6851 | 60.1 | (2,2,2) |
| 34.48 | 2.6009 | 26.2 | (3,0,1) |
| 35.14 | 2.5539 | 22.8 | (0,2,4) |
| 35.21 | 2.5491 | 1.9 | (3,1,0) |
| 35.24 | 2.5471 | 8.6 | (1,3,2) |
Energy Properties
Formation Energy/atom
-0.84008
eV/atom
Energy/atom
-34.58164
eV/atom
Energy above Hull
0.0002
eV/atom
Uncorrected Energy
-34.5816
eV/atom
Volume/atom
27.74
ų
c/a Ratio
1.5601
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.5830
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.004040
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Y · 0.375
Element Family
4d-TM
Solute Fraction
0.625
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3209
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.9819
J/mol·K
Ω Parameter
0.9927
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.963%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4320
smaller = more stable mixing
VEC
6.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-17.047
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9528
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296916
Reference Citation
The crystal structure and related material properties of Y3Er2Bi2Rh were obtained from the Materials Project database (MP-ID: mp-3296916, 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_Y3Er2Bi2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.97866860
_cell_length_b 8.93960260
_cell_length_c 12.44717203
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y3Er2Bi2Rh
_chemical_formula_sum 'Y12 Er8 Bi8 Rh4'
_cell_volume 887.80856749
_cell_formula_units_Z 4
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 0.65916228 0.75000000 0.70735906 1.0
Y Y1 1 0.34083772 0.25000000 0.29264094 1.0
Y Y2 1 0.15916228 0.25000000 0.79264094 1.0
Y Y3 1 0.84083772 0.75000000 0.20735906 1.0
Y Y4 1 0.12839878 0.75000000 0.80750350 1.0
Y Y5 1 0.87160122 0.25000000 0.19249650 1.0
Y Y6 1 0.62839878 0.25000000 0.69249650 1.0
Y Y7 1 0.37160122 0.75000000 0.30750350 1.0
Y Y8 1 0.54871899 0.75000000 0.99868208 1.0
Y Y9 1 0.45128101 0.25000000 0.00131792 1.0
Y Y10 1 0.04871899 0.25000000 0.50131792 1.0
Y Y11 1 0.95128101 0.75000000 0.49868208 1.0
Er Er12 1 0.82641779 0.45823522 0.93417849 1.0
Er Er13 1 0.17358221 0.54176478 0.06582151 1.0
Er Er14 1 0.32641779 0.54176478 0.56582151 1.0
Er Er15 1 0.17358221 0.95823522 0.06582151 1.0
Er Er16 1 0.67358221 0.45823522 0.43417849 1.0
Er Er17 1 0.82641779 0.04176478 0.93417849 1.0
Er Er18 1 0.67358221 0.04176478 0.43417849 1.0
Er Er19 1 0.32641779 0.95823522 0.56582151 1.0
Bi Bi20 1 0.93438911 0.00735508 0.67307988 1.0
Bi Bi21 1 0.06561089 0.99264492 0.32692012 1.0
Bi Bi22 1 0.43438911 0.99264492 0.82692012 1.0
Bi Bi23 1 0.06561089 0.50735508 0.32692012 1.0
Bi Bi24 1 0.56561089 0.00735508 0.17307988 1.0
Bi Bi25 1 0.93438911 0.49264492 0.67307988 1.0
Bi Bi26 1 0.56561089 0.49264492 0.17307988 1.0
Bi Bi27 1 0.43438911 0.50735508 0.82692012 1.0
Rh Rh28 1 0.93142989 0.75000000 0.99071501 1.0
Rh Rh29 1 0.06857011 0.25000000 0.00928499 1.0
Rh Rh30 1 0.43142989 0.25000000 0.50928499 1.0
Rh Rh31 1 0.56857011 0.75000000 0.49071501 1.0
