Tb8Er12Sn15Sb
High-Entropy Materials HEAMP-ID: mp-3292639 · Space group: P1 (#1)
Basic Information
Formula
Tb8Er12Sn15Sb
MP-ID
mp-3292639
Elements
4
Sites
36
Density
8.6329
g/cm³
Volume
996.56
ų
Cell a
8.0200
Å
Cell b
8.0953
Å
Cell c
15.3500
Å
α Angle
90.12
°
β Angle
90.44
°
γ Angle
90.15
°
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 |
|---|---|---|---|
| 11.53 | 7.6748 | 21.1 | (0,0,2) |
| 12.35 | 7.1667 | 2.0 | (0,1,-1) |
| 12.37 | 7.1543 | 2.7 | (0,1,1) |
| 15.53 | 5.7050 | 2.9 | (1,-1,0) |
| 15.57 | 5.6897 | 3.1 | (1,1,0) |
| 22.17 | 4.0099 | 1.4 | (2,0,0) |
| 22.88 | 3.8871 | 1.7 | (2,0,-1) |
| 22.97 | 3.8724 | 1.9 | (2,0,1) |
| 23.18 | 3.8374 | 2.4 | (0,0,4) |
| 24.75 | 3.5971 | 20.5 | (2,-1,0) |
| 24.80 | 3.5894 | 22.3 | (2,1,0) |
| 25.29 | 3.5222 | 6.7 | (1,-2,-1) |
| 25.30 | 3.5197 | 7.5 | (1,-2,1) |
| 25.32 | 3.5180 | 7.4 | (1,2,-1) |
| 25.38 | 3.5096 | 7.0 | (1,2,1) |
| 25.40 | 3.5069 | 2.9 | (2,-1,-1) |
| 25.44 | 3.5012 | 3.4 | (2,1,-1) |
| 25.47 | 3.4975 | 2.0 | (2,-1,1) |
| 25.53 | 3.4890 | 1.8 | (2,1,1) |
| 27.32 | 3.2646 | 11.7 | (2,-1,-2) |
| 27.35 | 3.2612 | 11.0 | (2,1,-2) |
| 27.45 | 3.2496 | 13.4 | (2,-1,2) |
| 27.52 | 3.2416 | 14.3 | (2,1,2) |
| 28.17 | 3.1680 | 4.3 | (2,0,-3) |
Energy Properties
Formation Energy/atom
-0.89842
eV/atom
Energy/atom
-30.17108
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.1711
eV/atom
Volume/atom
27.68
ų
c/a Ratio
1.9140
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0060
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.417
Element Family
PostTransition-Noble
Solute Fraction
0.583
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1648
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6839
J/mol·K
Ω Parameter
125.3171
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.401%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3920
smaller = more stable mixing
VEC
7.806
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.093
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8402
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292639
Reference Citation
The crystal structure and related material properties of Tb8Er12Sn15Sb were obtained from the Materials Project database (MP-ID: mp-3292639, 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_Tb8Er12Sn15Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.02002407
_cell_length_b 8.09530406
_cell_length_c 15.35001425
_cell_angle_alpha 90.11935598
_cell_angle_beta 90.44357311
_cell_angle_gamma 90.15267942
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb8Er12Sn15Sb
_chemical_formula_sum 'Tb8 Er12 Sn15 Sb1'
_cell_volume 996.55690291
_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 0.53733470 0.32692256 0.89689536 1.0
Tb Tb1 1 0.03038725 0.17773662 0.59887674 1.0
Tb Tb2 1 0.47136356 0.67772459 0.40077277 1.0
Tb Tb3 1 0.96273793 0.82063225 0.10174871 1.0
Tb Tb4 1 0.46671017 0.67393040 0.10144200 1.0
Tb Tb5 1 0.96974778 0.82245764 0.40094789 1.0
Tb Tb6 1 0.52902386 0.32119579 0.59941307 1.0
Tb Tb7 1 0.03241166 0.17979404 0.89855618 1.0
Er Er8 1 0.37698610 0.84122260 0.88017767 1.0
Er Er9 1 0.87355612 0.66230589 0.62250610 1.0
Er Er10 1 0.62702992 0.16031231 0.37882416 1.0
Er Er11 1 0.12279072 0.34039003 0.12188234 1.0
Er Er12 1 0.62438887 0.15918629 0.11924222 1.0
Er Er13 1 0.12682308 0.33785302 0.37737268 1.0
Er Er14 1 0.37276005 0.84025738 0.62110266 1.0
Er Er15 1 0.87623885 0.66055565 0.87809363 1.0
Er Er16 1 0.20670109 0.50401808 0.74922872 1.0
Er Er17 1 0.70577045 0.99669123 0.74943743 1.0
Er Er18 1 0.79320795 0.49617446 0.25087485 1.0
Er Er19 1 0.29374987 0.00271030 0.25259043 1.0
Sn Sn20 1 0.78854052 0.46481946 0.45778313 1.0
Sn Sn21 1 0.71285304 0.96340333 0.54268471 1.0
Sn Sn22 1 0.21713869 0.53213387 0.95728462 1.0
Sn Sn23 1 0.71944367 0.96655941 0.95629674 1.0
Sn Sn24 1 0.21200672 0.53516909 0.54211514 1.0
Sn Sn25 1 0.28747233 0.03648031 0.45728176 1.0
Sn Sn26 1 0.78498795 0.46692190 0.04289911 1.0
Sn Sn27 1 0.57011547 0.62607348 0.75022241 1.0
Sn Sn28 1 0.07261817 0.87605497 0.75124276 1.0
Sn Sn29 1 0.42997578 0.37428651 0.24860607 1.0
Sn Sn30 1 0.92730011 0.12383834 0.24892161 1.0
Sn Sn31 1 0.33955253 0.14828697 0.74995442 1.0
Sn Sn32 1 0.84053369 0.35265024 0.74885200 1.0
Sn Sn33 1 0.65909616 0.85234288 0.25008699 1.0
Sn Sn34 1 0.15940235 0.64755808 0.25057516 1.0
Sb Sb35 1 0.27924285 0.03134901 0.04520476 1.0
