Tb7Sn23Os6
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3292426 · Space group: P-3m1 (#164)
Basic Information
Formula
Tb7Sn23Os6
MP-ID
mp-3292426
Elements
3
Sites
36
Density
9.8238
g/cm³
Volume
842.49
ų
Cell a
9.8370
Å
Cell b
9.8370
Å
Cell c
10.0534
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
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 |
|---|---|---|---|
| 8.80 | 10.0534 | 4.8 | (0,0,0,1) |
| 10.38 | 8.5190 | 1.3 | (1,0,-1,0) |
| 13.62 | 6.4994 | 16.0 | (1,0,-1,1) |
| 17.64 | 5.0267 | 15.5 | (0,0,0,2) |
| 18.04 | 4.9185 | 1.7 | (2,-1,-1,0) |
| 18.04 | 4.9185 | 3.4 | (1,1,-2,0) |
| 22.67 | 3.9220 | 23.5 | (2,0,-2,1) |
| 25.33 | 3.5155 | 6.4 | (2,-1,-1,2) |
| 27.45 | 3.2497 | 11.0 | (2,0,-2,2) |
| 27.45 | 3.2497 | 5.5 | (0,2,-2,2) |
| 29.12 | 3.0665 | 8.7 | (3,-1,-2,1) |
| 32.33 | 2.7694 | 15.3 | (2,-1,-1,3) |
| 32.77 | 2.7328 | 100.0 | (3,0,-3,1) |
| 33.04 | 2.7113 | 59.9 | (3,-1,-2,2) |
| 34.04 | 2.6337 | 68.3 | (2,0,-2,3) |
| 35.72 | 2.5134 | 19.6 | (0,0,0,4) |
| 36.34 | 2.4724 | 36.5 | (3,0,-3,2) |
| 36.34 | 2.4724 | 18.3 | (0,3,-3,2) |
| 36.54 | 2.4592 | 21.2 | (4,-2,-2,0) |
| 36.54 | 2.4592 | 42.3 | (2,2,-4,0) |
| 37.30 | 2.4106 | 26.7 | (1,0,-1,4) |
| 38.09 | 2.3628 | 4.5 | (4,-1,-3,0) |
| 38.78 | 2.3218 | 16.8 | (3,-1,-2,3) |
| 39.17 | 2.3001 | 10.4 | (4,-1,-3,1) |
Energy Properties
Formation Energy/atom
-0.40325
eV/atom
Energy/atom
-31.11599
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-31.1160
eV/atom
Volume/atom
23.40
ų
c/a Ratio
1.0220
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0163
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.639
Element Family
PostTransition-Noble
Solute Fraction
0.361
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9033
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.5099
J/mol·K
Ω Parameter
1.3823
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.023%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3704
smaller = more stable mixing
VEC
5.639
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
6.468
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8222
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.726
Family
Sn-rich Multi-Component
Matrix Element
Sn · 0.639
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292426
Reference Citation
The crystal structure and related material properties of Tb7Sn23Os6 were obtained from the Materials Project database (MP-ID: mp-3292426, 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_Tb7Sn23Os6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.83694582
_cell_length_b 9.83694528
_cell_length_c 10.05338233
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000514
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb7Sn23Os6
_chemical_formula_sum 'Tb7 Sn23 Os6'
_cell_volume 842.48726123
_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 0.00000000 0.00000000 0.00000000 1.0
Tb Tb1 1 0.48437215 0.51562785 0.30161922 1.0
Tb Tb2 1 0.51562785 0.48437215 0.69838078 1.0
Tb Tb3 1 0.48437215 0.96874331 0.30161922 1.0
Tb Tb4 1 0.51562785 0.03125669 0.69838078 1.0
Tb Tb5 1 0.03125669 0.51562785 0.30161922 1.0
Tb Tb6 1 0.96874331 0.48437215 0.69838078 1.0
Sn Sn7 1 0.34894813 1.00000000 0.00000000 1.0
Sn Sn8 1 0.65105187 0.00000000 0.00000000 1.0
Sn Sn9 1 1.00000000 0.34894813 0.00000000 1.0
Sn Sn10 1 0.00000000 0.65105187 0.00000000 1.0
Sn Sn11 1 0.65105187 0.65105187 0.00000000 1.0
Sn Sn12 1 0.34894813 0.34894813 0.00000000 1.0
Sn Sn13 1 0.33333300 0.66666700 0.82566687 1.0
Sn Sn14 1 0.66666700 0.33333300 0.17433313 1.0
Sn Sn15 1 0.00000000 0.00000000 0.50000000 1.0
Sn Sn16 1 0.77732744 0.22267256 0.46125085 1.0
Sn Sn17 1 0.22267256 0.77732744 0.53874915 1.0
Sn Sn18 1 0.77732744 0.55465489 0.46125085 1.0
Sn Sn19 1 0.22267256 0.44534511 0.53874915 1.0
Sn Sn20 1 0.44534511 0.22267256 0.46125085 1.0
Sn Sn21 1 0.55465489 0.77732744 0.53874915 1.0
Sn Sn22 1 0.33333300 0.66666700 0.12836976 1.0
Sn Sn23 1 0.66666700 0.33333300 0.87163024 1.0
Sn Sn24 1 0.11608823 0.88391177 0.28097042 1.0
Sn Sn25 1 0.88391177 0.11608823 0.71902958 1.0
Sn Sn26 1 0.11608823 0.23217746 0.28097042 1.0
Sn Sn27 1 0.88391177 0.76782254 0.71902958 1.0
Sn Sn28 1 0.76782254 0.88391177 0.28097042 1.0
Sn Sn29 1 0.23217746 0.11608823 0.71902958 1.0
Os Os30 1 0.83017639 0.16982361 0.20215877 1.0
Os Os31 1 0.16982361 0.83017639 0.79784123 1.0
Os Os32 1 0.83017639 0.66035279 0.20215877 1.0
Os Os33 1 0.16982361 0.33964721 0.79784123 1.0
Os Os34 1 0.33964721 0.16982361 0.20215877 1.0
Os Os35 1 0.66035279 0.83017639 0.79784123 1.0
