Tb5Sm2Sn23Rh6
高熵材料 HEAMP-ID: mp-3295508 · Space group: Cm (#8)
Basic Information
Formula
Tb5Sm2Sn23Rh6
MP-ID
mp-3295508
Elements
4
Sites
36
Density
8.7655
g/cm³
Volume
841.71
ų
Cell a
9.8575
Å
Cell b
9.8575
Å
Cell c
10.0006
Å
α Angle
89.99
°
β Angle
90.01
°
γ Angle
119.98
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 13.64 | 6.4934 | 1.2 | (1,-1,0,-1) |
| 13.64 | 6.4931 | 2.1 | (1,0,-1,1) |
| 17.74 | 5.0003 | 4.6 | (0,0,0,2) |
| 18.00 | 4.9288 | 1.0 | (2,-1,-1,0) |
| 20.81 | 4.2691 | 2.0 | (2,0,-2,0) |
| 22.65 | 3.9265 | 2.5 | (2,0,-2,-1) |
| 22.65 | 3.9252 | 1.2 | (2,-2,0,1) |
| 25.37 | 3.5106 | 1.1 | (1,1,-2,2) |
| 25.37 | 3.5106 | 1.0 | (2,-1,-1,-2) |
| 25.38 | 3.5098 | 1.1 | (2,-1,-1,2) |
| 26.74 | 3.3335 | 4.1 | (0,0,0,3) |
| 27.47 | 3.2470 | 3.0 | (2,0,-2,-2) |
| 27.47 | 3.2467 | 1.4 | (2,-2,0,-2) |
| 27.47 | 3.2466 | 2.6 | (2,0,-2,2) |
| 27.48 | 3.2459 | 1.5 | (2,-2,0,2) |
| 28.75 | 3.1051 | 1.0 | (1,0,-1,3) |
| 29.07 | 3.0714 | 3.8 | (2,1,-3,-1) |
| 29.08 | 3.0711 | 3.8 | (3,-1,-2,-1) |
| 29.08 | 3.0704 | 3.8 | (3,-2,-1,1) |
| 32.42 | 2.7615 | 8.6 | (2,-1,-1,-3) |
| 32.42 | 2.7615 | 8.7 | (1,1,-2,3) |
| 32.43 | 2.7610 | 8.5 | (2,-1,-1,3) |
| 32.71 | 2.7375 | 100.0 | (3,0,-3,-1) |
| 32.72 | 2.7366 | 50.3 | (3,-3,0,1) |
Energy Properties
Formation Energy/atom
-0.62734
eV/atom
Energy/atom
-26.44894
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.4489
eV/atom
Volume/atom
23.38
ų
c/a Ratio
1.0145
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0017
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.639
Element Family
PostTransition-Noble
Solute Fraction
0.361
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0196
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.4771
J/mol·K
Ω Parameter
3.0206
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.908%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3773
smaller = more stable mixing
VEC
5.639
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
2.797
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7355
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295508
Reference Citation
The crystal structure and related material properties of Tb5Sm2Sn23Rh6 were obtained from the Materials Project database (MP-ID: mp-3295508, 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…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Tb5Sm2Sn23Rh6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.85754206
_cell_length_b 9.85754157
_cell_length_c 10.00054855
_cell_angle_alpha 89.98769832
_cell_angle_beta 90.01230134
_cell_angle_gamma 119.98419666
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb5Sm2Sn23Rh6
_chemical_formula_sum 'Tb5 Sm2 Sn23 Rh6'
_cell_volume 841.70679629
_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
Tb Tb0 1 0.52074284 0.47925716 0.69215618 1.0
Tb Tb1 1 0.47947207 0.95837837 0.30796754 1.0
Tb Tb2 1 0.52084476 0.04185761 0.69236267 1.0
Tb Tb3 1 0.04162163 0.52052793 0.30796754 1.0
Tb Tb4 1 0.95814239 0.47915524 0.69236267 1.0
Sm Sm5 1 0.00030080 0.99969920 0.99960649 1.0
Sm Sm6 1 0.47814258 0.52185742 0.30817918 1.0
Sn Sn7 1 0.35203167 0.99956702 0.99973510 1.0
Sn Sn8 1 0.64804820 0.00006009 0.00001657 1.0
Sn Sn9 1 0.99993991 0.35195180 0.00001657 1.0
Sn Sn10 1 0.00043298 0.64796833 0.99973510 1.0
Sn Sn11 1 0.64830846 0.64790122 0.99972729 1.0
Sn Sn12 1 0.35209878 0.35169154 0.99972729 1.0
Sn Sn13 1 0.33338993 0.66661007 0.82250239 1.0
Sn Sn14 1 0.66670737 0.33329263 0.17662815 1.0
Sn Sn15 1 0.00026537 0.99973463 0.50046035 1.0
Sn Sn16 1 0.77858671 0.22141329 0.45648563 1.0
Sn Sn17 1 0.22161235 0.77838765 0.54382808 1.0
Sn Sn18 1 0.77977230 0.55712865 0.45655391 1.0
Sn Sn19 1 0.22018082 0.44255191 0.54477356 1.0
Sn Sn20 1 0.44287135 0.22022770 0.45655391 1.0
Sn Sn21 1 0.55744809 0.77981918 0.54477356 1.0
Sn Sn22 1 0.33161189 0.66838811 0.11503442 1.0
Sn Sn23 1 0.66649081 0.33350919 0.88360207 1.0
Sn Sn24 1 0.11830172 0.88169828 0.28231126 1.0
Sn Sn25 1 0.88194151 0.11805849 0.71780794 1.0
Sn Sn26 1 0.11664266 0.23439620 0.28201998 1.0
Sn Sn27 1 0.88186475 0.76379109 0.71783475 1.0
Sn Sn28 1 0.76560380 0.88335734 0.28201998 1.0
Sn Sn29 1 0.23620891 0.11813525 0.71783475 1.0
Rh Rh30 1 0.83054460 0.16945540 0.19950565 1.0
Rh Rh31 1 0.16902868 0.83097132 0.80008375 1.0
Rh Rh32 1 0.83222522 0.66237812 0.19919461 1.0
Rh Rh33 1 0.16888644 0.33793425 0.80071824 1.0
Rh Rh34 1 0.33762188 0.16777478 0.19919461 1.0
Rh Rh35 1 0.66206575 0.83111356 0.80071824 1.0
