Sn8B6Ir11Rh3
High-Entropy Materials HEAMP-ID: mp-3292720 · Space group: P3 (#143)
Basic Information
Formula
Sn8B6Ir11Rh3
MP-ID
mp-3292720
Elements
4
Sites
28
Density
13.4884
g/cm³
Volume
423.20
ų
Cell a
9.2969
Å
Cell b
9.2969
Å
Cell c
5.6538
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P3
Point Group
3
Crystal System
Trigonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 10.99 | 8.0514 | 49.3 | (1,-1,0,0) |
| 10.99 | 8.0513 | 24.6 | (1,0,-1,0) |
| 15.67 | 5.6538 | 16.3 | (0,0,0,1) |
| 19.09 | 4.6485 | 8.5 | (1,-2,1,0) |
| 19.09 | 4.6485 | 8.5 | (1,1,-2,0) |
| 19.09 | 4.6484 | 8.5 | (2,-1,-1,0) |
| 19.18 | 4.6270 | 2.8 | (1,-1,0,-1) |
| 19.18 | 4.6270 | 1.2 | (1,0,-1,-1) |
| 19.18 | 4.6270 | 4.4 | (1,0,-1,1) |
| 22.08 | 4.0257 | 11.6 | (2,-2,0,0) |
| 22.08 | 4.0257 | 5.8 | (2,0,-2,0) |
| 24.80 | 3.5907 | 2.4 | (1,-2,1,-1) |
| 24.80 | 3.5907 | 24.2 | (2,-1,-1,-1) |
| 24.80 | 3.5907 | 2.4 | (1,1,-2,-1) |
| 24.80 | 3.5907 | 2.4 | (2,-1,-1,1) |
| 27.19 | 3.2793 | 11.3 | (2,-2,0,-1) |
| 27.19 | 3.2793 | 3.0 | (0,2,-2,-1) |
| 27.19 | 3.2793 | 8.3 | (2,-2,0,1) |
| 27.19 | 3.2793 | 11.3 | (2,0,-2,1) |
| 29.35 | 3.0431 | 86.4 | (2,-3,1,0) |
| 29.35 | 3.0431 | 85.5 | (1,2,-3,0) |
| 29.35 | 3.0431 | 86.4 | (3,-1,-2,0) |
| 31.65 | 2.8269 | 94.7 | (0,0,0,2) |
| 33.39 | 2.6838 | 3.2 | (0,3,-3,0) |
Energy Properties
Formation Energy/atom
-0.35558
eV/atom
Energy/atom
-32.15590
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-32.1559
eV/atom
Volume/atom
15.11
ų
c/a Ratio
0.6081
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0270
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000060
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ir · 0.393
Element Family
5d-TM
Solute Fraction
0.607
Interstitial Fraction
0.214
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2944
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.7616
J/mol·K
Ω Parameter
5.8414
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.907%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1172
smaller = more stable mixing
VEC
6.286
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.617
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9337
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292720
Reference Citation
The crystal structure and related material properties of Sn8B6Ir11Rh3 were obtained from the Materials Project database (MP-ID: mp-3292720, 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_Sn8B6Ir11Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.29688940
_cell_length_b 9.29690990
_cell_length_c 5.65384100
_cell_angle_alpha 89.99988807
_cell_angle_beta 90.00006606
_cell_angle_gamma 120.00005788
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sn8B6Ir11Rh3
_chemical_formula_sum 'Sn8 B6 Ir11 Rh3'
_cell_volume 423.20447915
_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
Sn Sn0 1 0.66665600 0.33332766 0.25804894 1.0
Sn Sn1 1 0.41043769 0.50066797 0.24944690 1.0
Sn Sn2 1 0.09023307 0.58956001 0.24945151 1.0
Sn Sn3 1 0.49932541 0.90976812 0.24944919 1.0
Sn Sn4 1 0.50248668 0.09282452 0.74988049 1.0
Sn Sn5 1 0.90717793 0.40966561 0.74988164 1.0
Sn Sn6 1 0.59032627 0.49750554 0.74988037 1.0
Sn Sn7 1 0.33333018 0.66666375 0.74780731 1.0
B B8 1 0.20992910 0.03677024 0.24953229 1.0
B B9 1 0.96323645 0.17316282 0.24953332 1.0
B B10 1 0.82683811 0.79007048 0.24953493 1.0
B B11 1 0.17260467 0.21008912 0.75017381 1.0
B B12 1 0.03749075 0.82739977 0.75017434 1.0
B B13 1 0.78990851 0.96251244 0.75017333 1.0
Ir Ir14 1 0.00001000 0.00000670 0.00066551 1.0
Ir Ir15 1 0.76936196 0.12438315 0.49871556 1.0
Ir Ir16 1 0.35501740 0.23063791 0.49871623 1.0
Ir Ir17 1 0.87561869 0.64497741 0.49872127 1.0
Ir Ir18 1 0.00000615 0.00000445 0.50071416 1.0
Ir Ir19 1 0.12445197 0.35581292 0.50090410 1.0
Ir Ir20 1 0.64418276 0.76863343 0.50090186 1.0
Ir Ir21 1 0.23136377 0.87555579 0.50089933 1.0
Ir Ir22 1 0.12401177 0.35497963 0.99876713 1.0
Ir Ir23 1 0.64501785 0.76902495 0.99876900 1.0
Ir Ir24 1 0.23097455 0.87599734 0.99877029 1.0
Rh Rh25 1 0.76850085 0.12450804 0.00016162 1.0
Rh Rh26 1 0.35599960 0.23149788 0.00016242 1.0
Rh Rh27 1 0.87550185 0.64399539 0.00016417 1.0
