Tb2Er3Bi2Rh
High-Entropy Materials HEAMP-ID: mp-3292295 · Space group: Pnma (#62)
Basic Information
Formula
Tb2Er3Bi2Rh
MP-ID
mp-3292295
Elements
4
Sites
32
Density
10.0677
g/cm³
Volume
884.39
ų
Cell a
8.0468
Å
Cell b
8.8585
Å
Cell c
12.4069
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 |
|---|---|---|---|
| 13.11 | 6.7512 | 1.1 | (1,0,1) |
| 14.87 | 5.9563 | 1.0 | (1,1,0) |
| 18.06 | 4.9130 | 1.4 | (1,0,2) |
| 20.05 | 4.4293 | 1.9 | (0,2,0) |
| 22.09 | 4.0234 | 6.7 | (2,0,0) |
| 23.24 | 3.8272 | 2.0 | (2,0,1) |
| 24.03 | 3.7034 | 1.9 | (1,2,1) |
| 24.20 | 3.6783 | 9.0 | (1,0,3) |
| 25.35 | 3.5133 | 3.6 | (2,1,1) |
| 27.11 | 3.2897 | 13.1 | (1,2,2) |
| 28.29 | 3.1543 | 2.9 | (2,1,2) |
| 28.78 | 3.1017 | 1.7 | (0,0,4) |
| 30.88 | 2.8959 | 100.0 | (2,2,1) |
| 30.90 | 2.8942 | 58.7 | (1,0,4) |
| 31.01 | 2.8838 | 19.9 | (2,0,3) |
| 31.62 | 2.8297 | 96.8 | (1,2,3) |
| 32.29 | 2.7721 | 14.2 | (1,3,0) |
| 32.55 | 2.7511 | 5.6 | (1,1,4) |
| 33.11 | 2.7054 | 3.1 | (1,3,1) |
| 33.37 | 2.6848 | 54.7 | (2,2,2) |
| 33.61 | 2.6662 | 2.6 | (0,3,2) |
| 34.20 | 2.6217 | 25.7 | (3,0,1) |
| 34.95 | 2.5672 | 1.9 | (3,1,0) |
| 35.33 | 2.5407 | 25.2 | (0,2,4) |
Energy Properties
Formation Energy/atom
-0.84124
eV/atom
Energy/atom
-39.01248
eV/atom
Energy above Hull
0.0014
eV/atom
Uncorrected Energy
-39.0125
eV/atom
Volume/atom
27.64
ų
c/a Ratio
1.5419
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.5958
μB
Mag. Ordering
FM
Mag. Sites
20
Magnetization/Volume
0.004070
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 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
1.3209
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.9819
J/mol·K
Ω Parameter
6.3580
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.245%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4562
smaller = more stable mixing
VEC
9.125
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
2.589
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9528
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292295
Reference Citation
The crystal structure and related material properties of Tb2Er3Bi2Rh were obtained from the Materials Project database (MP-ID: mp-3292295, 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_Tb2Er3Bi2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04674884
_cell_length_b 8.85852427
_cell_length_c 12.40686418
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb2Er3Bi2Rh
_chemical_formula_sum 'Tb8 Er12 Bi8 Rh4'
_cell_volume 884.39006115
_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
Tb Tb0 1 0.65992175 0.75000000 0.70513604 1.0
Tb Tb1 1 0.34007825 0.25000000 0.29486396 1.0
Tb Tb2 1 0.15992175 0.25000000 0.79486396 1.0
Tb Tb3 1 0.84007825 0.75000000 0.20513604 1.0
Tb Tb4 1 0.12532116 0.75000000 0.81001791 1.0
Tb Tb5 1 0.87467884 0.25000000 0.18998209 1.0
Tb Tb6 1 0.62532116 0.25000000 0.68998209 1.0
Tb Tb7 1 0.37467884 0.75000000 0.31001791 1.0
Er Er8 1 0.55342486 0.75000000 0.99782849 1.0
Er Er9 1 0.44657514 0.25000000 0.00217151 1.0
Er Er10 1 0.05342486 0.25000000 0.50217151 1.0
Er Er11 1 0.94657514 0.75000000 0.49782849 1.0
Er Er12 1 0.82518465 0.45779327 0.93361198 1.0
Er Er13 1 0.17481535 0.54220673 0.06638802 1.0
Er Er14 1 0.32518465 0.54220673 0.56638802 1.0
Er Er15 1 0.17481535 0.95779327 0.06638802 1.0
Er Er16 1 0.67481535 0.45779327 0.43361198 1.0
Er Er17 1 0.82518465 0.04220673 0.93361198 1.0
Er Er18 1 0.67481535 0.04220673 0.43361198 1.0
Er Er19 1 0.32518465 0.95779327 0.56638802 1.0
Bi Bi20 1 0.93582501 0.00827270 0.67116294 1.0
Bi Bi21 1 0.06417499 0.99172730 0.32883706 1.0
Bi Bi22 1 0.43582501 0.99172730 0.82883706 1.0
Bi Bi23 1 0.06417499 0.50827270 0.32883706 1.0
Bi Bi24 1 0.56417499 0.00827270 0.17116294 1.0
Bi Bi25 1 0.93582501 0.49172730 0.67116294 1.0
Bi Bi26 1 0.56417499 0.49172730 0.17116294 1.0
Bi Bi27 1 0.43582501 0.50827270 0.82883706 1.0
Rh Rh28 1 0.92743470 0.75000000 0.99015314 1.0
Rh Rh29 1 0.07256530 0.25000000 0.00984686 1.0
Rh Rh30 1 0.42743470 0.25000000 0.50984686 1.0
Rh Rh31 1 0.57256530 0.75000000 0.49015314 1.0
