TbCo3P3Rh2
High-Entropy Materials HEAMP-ID: mp-3292130 · Space group: Pnma (#62)
Basic Information
Formula
TbCo3P3Rh2
MP-ID
mp-3292130
Elements
4
Sites
36
Density
9.0300
g/cm³
Volume
466.68
ų
Cell a
3.7337
Å
Cell b
10.3729
Å
Cell c
12.0498
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 |
|---|---|---|---|
| 11.26 | 7.8613 | 2.3 | (0,1,1) |
| 14.70 | 6.0249 | 1.3 | (0,0,2) |
| 18.63 | 4.7639 | 3.5 | (0,2,1) |
| 22.62 | 3.9307 | 2.2 | (0,2,2) |
| 25.35 | 3.5131 | 3.1 | (1,1,0) |
| 26.43 | 3.3727 | 10.3 | (1,1,1) |
| 28.10 | 3.1756 | 1.6 | (0,2,3) |
| 28.12 | 3.1737 | 1.3 | (1,0,2) |
| 29.66 | 3.0125 | 9.3 | (0,0,4) |
| 29.79 | 2.9989 | 9.7 | (0,3,2) |
| 30.42 | 2.9387 | 5.3 | (1,2,1) |
| 30.91 | 2.8929 | 1.9 | (0,1,4) |
| 33.90 | 2.6443 | 5.2 | (1,1,3) |
| 34.59 | 2.5932 | 1.3 | (0,4,0) |
| 35.38 | 2.5369 | 1.5 | (1,3,0) |
| 35.41 | 2.5352 | 9.1 | (0,4,1) |
| 37.17 | 2.4190 | 23.9 | (1,2,3) |
| 37.77 | 2.3820 | 2.0 | (0,4,2) |
| 38.34 | 2.3474 | 9.1 | (0,1,5) |
| 38.39 | 2.3445 | 40.3 | (1,0,4) |
| 38.50 | 2.3381 | 100.0 | (1,3,2) |
| 39.40 | 2.2868 | 10.3 | (1,1,4) |
| 39.68 | 2.2713 | 4.0 | (0,3,4) |
| 41.31 | 2.1855 | 3.5 | (0,2,5) |
Energy Properties
Formation Energy/atom
-0.88967
eV/atom
Energy/atom
-17.13498
eV/atom
Energy above Hull
0.0072
eV/atom
Uncorrected Energy
-17.1350
eV/atom
Volume/atom
12.96
ų
c/a Ratio
3.2273
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0013
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.333
Element Family
3d-TM
Solute Fraction
0.667
Interstitial Fraction
0.333
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3108
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.8979
J/mol·K
Ω Parameter
2.6548
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.962%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3522
smaller = more stable mixing
VEC
7.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
5.637
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9455
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292130
Reference Citation
The crystal structure and related material properties of TbCo3P3Rh2 were obtained from the Materials Project database (MP-ID: mp-3292130, 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
Loading 3D structure…
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Raw CIF Data
# generated using pymatgen
data_TbCo3P3Rh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73371805
_cell_length_b 10.37289052
_cell_length_c 12.04981345
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbCo3P3Rh2
_chemical_formula_sum 'Tb4 Co12 P12 Rh8'
_cell_volume 466.68263029
_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 0.25000000 0.58263302 0.71005158 1.0
Tb Tb1 1 0.25000000 0.91736698 0.21005158 1.0
Tb Tb2 1 0.75000000 0.41736698 0.28994842 1.0
Tb Tb3 1 0.75000000 0.08263302 0.78994842 1.0
Co Co4 1 0.25000000 0.22605474 0.17459684 1.0
Co Co5 1 0.25000000 0.27394526 0.67459684 1.0
Co Co6 1 0.75000000 0.77394526 0.82540316 1.0
Co Co7 1 0.75000000 0.72605474 0.32540316 1.0
Co Co8 1 0.25000000 0.88002569 0.69848699 1.0
Co Co9 1 0.25000000 0.61997431 0.19848699 1.0
Co Co10 1 0.75000000 0.11997431 0.30151301 1.0
Co Co11 1 0.75000000 0.38002569 0.80151301 1.0
Co Co12 1 0.25000000 0.46149227 0.93316041 1.0
Co Co13 1 0.25000000 0.03850773 0.43316041 1.0
Co Co14 1 0.75000000 0.53850773 0.06683959 1.0
Co Co15 1 0.75000000 0.96149227 0.56683959 1.0
P P16 1 0.25000000 0.42747401 0.11173533 1.0
P P17 1 0.25000000 0.07252599 0.61173533 1.0
P P18 1 0.75000000 0.57252599 0.88826467 1.0
P P19 1 0.75000000 0.92747401 0.38826467 1.0
P P20 1 0.25000000 0.27449255 0.85854522 1.0
P P21 1 0.25000000 0.22550745 0.35854522 1.0
P P22 1 0.75000000 0.72550745 0.14145478 1.0
P P23 1 0.75000000 0.77449255 0.64145478 1.0
P P24 1 0.25000000 0.60514926 0.38067509 1.0
P P25 1 0.25000000 0.89485074 0.88067509 1.0
P P26 1 0.75000000 0.39485074 0.61932491 1.0
P P27 1 0.75000000 0.10514926 0.11932491 1.0
Rh Rh28 1 0.25000000 0.70964310 0.98664169 1.0
Rh Rh29 1 0.25000000 0.79035690 0.48664169 1.0
Rh Rh30 1 0.75000000 0.29035690 0.01335831 1.0
Rh Rh31 1 0.75000000 0.20964310 0.51335831 1.0
Rh Rh32 1 0.25000000 0.40504156 0.48198849 1.0
Rh Rh33 1 0.25000000 0.09495844 0.98198849 1.0
Rh Rh34 1 0.75000000 0.59495844 0.51801151 1.0
Rh Rh35 1 0.75000000 0.90504156 0.01801151 1.0
