Tb8Sc12Ga15Sb
High-Entropy Materials HEAMP-ID: mp-3294268 · Space group: P1 (#1)
Basic Information
Formula
Tb8Sc12Ga15Sb
MP-ID
mp-3294268
Elements
4
Sites
36
Density
6.2055
g/cm³
Volume
797.01
ų
Cell a
7.2694
Å
Cell b
7.5974
Å
Cell c
14.4313
Å
α Angle
90.06
°
β Angle
89.79
°
γ Angle
89.91
°
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 |
|---|---|---|---|
| 6.12 | 14.4312 | 1.6 | (0,0,1) |
| 12.27 | 7.2156 | 17.9 | (0,0,2) |
| 13.16 | 6.7258 | 52.4 | (0,1,-1) |
| 13.18 | 6.7196 | 41.4 | (0,1,1) |
| 16.87 | 5.2564 | 6.7 | (1,1,0) |
| 16.89 | 5.2484 | 8.5 | (1,-1,0) |
| 17.95 | 4.9420 | 1.2 | (1,1,1) |
| 20.89 | 4.2525 | 3.9 | (1,1,2) |
| 20.90 | 4.2513 | 2.0 | (1,-1,2) |
| 20.93 | 4.2447 | 3.7 | (1,1,-2) |
| 20.96 | 4.2374 | 3.7 | (1,-1,-2) |
| 21.86 | 4.0663 | 64.1 | (0,1,-3) |
| 21.88 | 4.0622 | 52.2 | (0,1,3) |
| 23.42 | 3.7987 | 4.1 | (0,2,0) |
| 24.49 | 3.6347 | 33.8 | (2,0,0) |
| 24.68 | 3.6078 | 2.9 | (0,0,4) |
| 25.07 | 3.5523 | 10.4 | (1,-1,3) |
| 25.07 | 3.5521 | 8.9 | (1,1,3) |
| 25.12 | 3.5453 | 11.8 | (1,1,-3) |
| 25.16 | 3.5402 | 12.2 | (1,-1,-3) |
| 26.46 | 3.3688 | 1.9 | (1,2,0) |
| 27.18 | 3.2812 | 9.3 | (1,2,1) |
| 27.19 | 3.2801 | 3.5 | (1,2,-1) |
| 27.20 | 3.2787 | 7.3 | (1,-2,1) |
Energy Properties
Formation Energy/atom
-0.75180
eV/atom
Energy/atom
-16.97239
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.9724
eV/atom
Volume/atom
22.14
ų
c/a Ratio
1.9852
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0054
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
Ga · 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
0.6870
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.754%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3008
smaller = more stable mixing
VEC
4.389
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-15.760
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8402
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294268
Reference Citation
The crystal structure and related material properties of Tb8Sc12Ga15Sb were obtained from the Materials Project database (MP-ID: mp-3294268, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Tb8Sc12Ga15Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.26939324
_cell_length_b 7.59741952
_cell_length_c 14.43128588
_cell_angle_alpha 90.06302673
_cell_angle_beta 89.78788693
_cell_angle_gamma 89.91291102
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb8Sc12Ga15Sb
_chemical_formula_sum 'Tb8 Sc12 Ga15 Sb1'
_cell_volume 797.01327956
_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 0.01329740 0.18058280 0.09445197 1.0
Tb Tb1 1 0.98822509 0.81992122 0.90606852 1.0
Tb Tb2 1 0.48795719 0.67819275 0.90617740 1.0
Tb Tb3 1 0.98508091 0.82618647 0.59614786 1.0
Tb Tb4 1 0.51315920 0.31975551 0.09432534 1.0
Tb Tb5 1 0.00744457 0.17580312 0.40112250 1.0
Tb Tb6 1 0.51461234 0.31451096 0.40298795 1.0
Tb Tb7 1 0.49892473 0.68637817 0.59783568 1.0
Sc Sc8 1 0.16377865 0.50288508 0.75506100 1.0
Sc Sc9 1 0.83740062 0.49742694 0.24820445 1.0
Sc Sc10 1 0.33645564 0.00525374 0.24895420 1.0
Sc Sc11 1 0.66525359 0.99691796 0.75287738 1.0
Sc Sc12 1 0.33696042 0.16031408 0.62863447 1.0
Sc Sc13 1 0.66802440 0.83184464 0.37399106 1.0
Sc Sc14 1 0.16736995 0.68056589 0.37069077 1.0
Sc Sc15 1 0.67047712 0.82750981 0.12392549 1.0
Sc Sc16 1 0.82092896 0.32500568 0.62621809 1.0
Sc Sc17 1 0.32851459 0.17204518 0.87574866 1.0
Sc Sc18 1 0.82984965 0.32733719 0.87579862 1.0
Sc Sc19 1 0.17162410 0.67213402 0.12450636 1.0
Ga Ga20 1 0.03186891 0.11657430 0.74933695 1.0
Ga Ga21 1 0.96748705 0.88535739 0.24740321 1.0
Ga Ga22 1 0.46951122 0.61571563 0.25090135 1.0
Ga Ga23 1 0.53066140 0.38393636 0.75168256 1.0
Ga Ga24 1 0.28175906 0.87066516 0.75073049 1.0
Ga Ga25 1 0.71773247 0.12621424 0.24872729 1.0
Ga Ga26 1 0.21806458 0.37531393 0.25114934 1.0
Ga Ga27 1 0.78462902 0.62537620 0.74978160 1.0
Ga Ga28 1 0.82622700 0.53789251 0.45672742 1.0
Ga Ga29 1 0.33777071 0.96455667 0.46016909 1.0
Ga Ga30 1 0.83969909 0.53432788 0.04030294 1.0
Ga Ga31 1 0.66084499 0.03710672 0.53953612 1.0
Ga Ga32 1 0.16016409 0.46476520 0.96019802 1.0
Ga Ga33 1 0.66025462 0.03470607 0.95957716 1.0
Ga Ga34 1 0.34005893 0.96437142 0.04015640 1.0
Sb Sb35 1 0.16792673 0.46254913 0.53989328 1.0
