Tb10Sn4BiPb
高熵材料 HEAMP-ID: mp-3295815 · Space group: Amm2 (#38)
Basic Information
Formula
Tb10Sn4BiPb
MP-ID
mp-3295815
Elements
4
Sites
16
Density
8.8849
g/cm³
Volume
463.55
ų
Cell a
9.0204
Å
Cell b
9.0204
Å
Cell c
6.5765
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.97
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 11.32 | 7.8141 | 14.6 | (1,0,-1,0) |
| 17.63 | 5.0316 | 2.5 | (1,0,-1,1) |
| 22.76 | 3.9070 | 5.0 | (2,0,-2,0) |
| 26.54 | 3.3590 | 3.7 | (2,0,-2,1) |
| 27.12 | 3.2882 | 34.6 | (0,0,0,2) |
| 29.47 | 3.0308 | 12.2 | (1,0,-1,2) |
| 29.47 | 3.0306 | 19.3 | (1,-1,0,2) |
| 30.26 | 2.9538 | 13.1 | (2,1,-3,0) |
| 30.27 | 2.9529 | 14.6 | (3,-1,-2,0) |
| 30.27 | 2.9524 | 26.9 | (3,-2,-1,0) |
| 33.25 | 2.6945 | 70.7 | (2,1,-3,1) |
| 33.26 | 2.6938 | 73.2 | (3,-1,-2,1) |
| 33.26 | 2.6934 | 39.9 | (3,-2,-1,1) |
| 33.73 | 2.6574 | 37.9 | (1,1,-2,2) |
| 33.73 | 2.6570 | 100.0 | (2,-1,-1,2) |
| 34.43 | 2.6047 | 45.4 | (3,0,-3,0) |
| 34.45 | 2.6036 | 28.1 | (3,-3,0,0) |
| 35.69 | 2.5158 | 8.0 | (2,0,-2,2) |
| 35.69 | 2.5154 | 5.3 | (2,-2,0,2) |
| 41.67 | 2.1674 | 4.4 | (3,1,-4,0) |
| 41.68 | 2.1670 | 2.0 | (4,-1,-3,0) |
| 41.69 | 2.1664 | 2.1 | (4,-3,-1,0) |
| 42.36 | 2.1340 | 3.8 | (2,2,-4,1) |
| 42.37 | 2.1332 | 12.9 | (4,-2,-2,1) |
Energy Properties
Formation Energy/atom
-0.83931
eV/atom
Energy/atom
-33.71659
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-33.7166
eV/atom
Volume/atom
28.97
ų
c/a Ratio
0.7291
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0046
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tb · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9869
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2051
J/mol·K
Ω Parameter
79.8174
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
6.239%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4586
smaller = more stable mixing
VEC
7.188
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.125
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7119
SS Former
1
Phase Tendency
SS
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295815
Reference Citation
The crystal structure and related material properties of Tb10Sn4BiPb were obtained from the Materials Project database (MP-ID: mp-3295815, 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_Tb10Sn4BiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.02038575
_cell_length_b 9.02038581
_cell_length_c 6.57647006
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.97234527
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb10Sn4BiPb
_chemical_formula_sum 'Tb10 Sn4 Bi1 Pb1'
_cell_volume 463.54794310
_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 0.67079562 0.33135921 0.00075298 1.0
Tb Tb1 1 0.33135921 0.67079562 0.00075298 1.0
Tb Tb2 1 0.33135921 0.67079562 0.49924702 1.0
Tb Tb3 1 0.67079562 0.33135921 0.49924702 1.0
Tb Tb4 1 0.76389813 0.76389813 0.75000000 1.0
Tb Tb5 1 0.23874623 0.99449639 0.75000000 1.0
Tb Tb6 1 0.99449639 0.23874623 0.75000000 1.0
Tb Tb7 1 0.23783361 0.23783361 0.25000000 1.0
Tb Tb8 1 0.75985243 0.00163578 0.25000000 1.0
Tb Tb9 1 0.00163578 0.75985243 0.25000000 1.0
Sn Sn10 1 0.60555515 0.99899464 0.75000000 1.0
Sn Sn11 1 0.99899464 0.60555515 0.75000000 1.0
Sn Sn12 1 0.39387986 0.00221483 0.25000000 1.0
Sn Sn13 1 0.00221483 0.39387986 0.25000000 1.0
Bi Bi14 1 0.39099478 0.39099478 0.75000000 1.0
Pb Pb15 1 0.60759052 0.60759052 0.25000000 1.0
