Tb20Sn5Bi3Pt4
High-Entropy Materials HEAMP-ID: mp-3294588 · Space group: P1 (#1)
Basic Information
Formula
Tb20Sn5Bi3Pt4
MP-ID
mp-3294588
Elements
4
Sites
32
Density
9.6289
g/cm³
Volume
893.20
ų
Cell a
8.0276
Å
Cell b
8.9835
Å
Cell c
12.3857
Å
α Angle
90.15
°
β Angle
90.00
°
γ Angle
89.96
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 7.14 | 12.3857 | 1.1 | (0,0,1) |
| 9.85 | 8.9835 | 4.4 | (0,1,0) |
| 13.14 | 6.7366 | 5.6 | (1,0,1) |
| 13.14 | 6.7362 | 4.3 | (1,0,-1) |
| 14.30 | 6.1928 | 13.5 | (0,0,2) |
| 14.79 | 5.9879 | 2.2 | (1,1,0) |
| 14.80 | 5.9839 | 5.6 | (1,-1,0) |
| 16.43 | 5.3945 | 1.1 | (1,1,-1) |
| 19.77 | 4.4917 | 3.3 | (0,2,0) |
| 20.62 | 4.3083 | 1.1 | (1,1,-2) |
| 20.65 | 4.3011 | 3.3 | (1,1,2) |
| 20.66 | 4.2994 | 1.9 | (1,-1,-2) |
| 22.15 | 4.0138 | 10.0 | (2,0,0) |
| 23.79 | 3.7405 | 3.2 | (1,2,-1) |
| 23.80 | 3.7387 | 2.0 | (1,-2,1) |
| 23.82 | 3.7357 | 2.9 | (1,2,1) |
| 23.83 | 3.7337 | 4.0 | (1,-2,-1) |
| 24.24 | 3.6716 | 11.1 | (1,0,3) |
| 24.24 | 3.6714 | 11.7 | (1,0,-3) |
| 24.45 | 3.6405 | 1.4 | (0,2,-2) |
| 24.51 | 3.6315 | 1.1 | (0,2,2) |
| 25.36 | 3.5122 | 1.3 | (2,-1,-1) |
| 26.20 | 3.4016 | 1.2 | (1,1,-3) |
| 26.24 | 3.3963 | 1.4 | (1,1,3) |
Energy Properties
Formation Energy/atom
-0.96074
eV/atom
Energy/atom
-36.26440
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-36.2644
eV/atom
Volume/atom
27.91
ų
c/a Ratio
1.5429
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.4691
μB
Mag. Ordering
FM
Mag. Sites
12
Magnetization/Volume
0.001640
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tb · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0656
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.8598
J/mol·K
Ω Parameter
33.3184
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.111%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4832
smaller = more stable mixing
VEC
7.969
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.373
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7687
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294588
Reference Citation
The crystal structure and related material properties of Tb20Sn5Bi3Pt4 were obtained from the Materials Project database (MP-ID: mp-3294588, 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_Tb20Sn5Bi3Pt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.02755605
_cell_length_b 8.98350139
_cell_length_c 12.38571545
_cell_angle_alpha 90.14903011
_cell_angle_beta 89.99638339
_cell_angle_gamma 89.96165676
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb20Sn5Bi3Pt4
_chemical_formula_sum 'Tb20 Sn5 Bi3 Pt4'
_cell_volume 893.19959444
_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 0.83575601 0.74245094 0.79050752 1.0
Tb Tb1 1 0.16757902 0.25343958 0.21091718 1.0
Tb Tb2 1 0.33584619 0.25767237 0.71065608 1.0
Tb Tb3 1 0.66234540 0.74614395 0.28762429 1.0
Tb Tb4 1 0.36780027 0.74253163 0.70197177 1.0
Tb Tb5 1 0.62921583 0.25402897 0.29615507 1.0
Tb Tb6 1 0.86687472 0.25791114 0.79786868 1.0
Tb Tb7 1 0.13734812 0.74625062 0.20178812 1.0
Tb Tb8 1 0.95400054 0.74286102 0.49899987 1.0
Tb Tb9 1 0.04470319 0.25719723 0.50052844 1.0
Tb Tb10 1 0.45408730 0.25283483 0.00225779 1.0
Tb Tb11 1 0.54261652 0.74714866 0.00204879 1.0
Tb Tb12 1 0.67960783 0.04044564 0.56600265 1.0
Tb Tb13 1 0.32300527 0.96006362 0.42976943 1.0
Tb Tb14 1 0.18101701 0.96012417 0.93696887 1.0
Tb Tb15 1 0.31806268 0.53924898 0.43142493 1.0
Tb Tb16 1 0.81665553 0.03900790 0.06675041 1.0
Tb Tb17 1 0.68139638 0.46024631 0.56800956 1.0
Tb Tb18 1 0.81895632 0.46114359 0.06859869 1.0
Tb Tb19 1 0.18237645 0.53863156 0.93234342 1.0
Sn Sn20 1 0.56710688 0.49086122 0.82988631 1.0
Sn Sn21 1 0.43246107 0.50885432 0.17114080 1.0
Sn Sn22 1 0.06747983 0.50975363 0.67215203 1.0
Sn Sn23 1 0.43307852 0.99165274 0.17087378 1.0
Sn Sn24 1 0.93243097 0.49077361 0.32720694 1.0
Bi Bi25 1 0.56829052 0.00925624 0.82645515 1.0
Bi Bi26 1 0.93193665 0.00937789 0.32808478 1.0
Bi Bi27 1 0.06797899 0.99042278 0.67272211 1.0
Pt Pt28 1 0.56822382 0.75028948 0.51158973 1.0
Pt Pt29 1 0.43175353 0.24936763 0.48822975 1.0
Pt Pt30 1 0.06632350 0.24945934 0.98837209 1.0
Pt Pt31 1 0.93368613 0.75054641 0.01209396 1.0
