Tb11Dy6Ho3Pb16
高熵材料 HEAMP-ID: mp-3293232 · Space group: P1 (#1)
Basic Information
Formula
Tb11Dy6Ho3Pb16
MP-ID
mp-3293232
Elements
4
Sites
36
Density
10.2940
g/cm³
Volume
1,053.88
ų
Cell a
8.1877
Å
Cell b
15.6130
Å
Cell c
8.2441
Å
α Angle
90.00
°
β Angle
90.01
°
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 |
|---|---|---|---|
| 11.33 | 7.8065 | 20.9 | (0,2,0) |
| 15.25 | 5.8097 | 1.4 | (1,0,-1) |
| 15.25 | 5.8091 | 1.3 | (1,0,1) |
| 21.56 | 4.1220 | 8.6 | (0,0,2) |
| 21.71 | 4.0938 | 10.6 | (2,0,0) |
| 22.78 | 3.9033 | 9.9 | (0,4,0) |
| 22.94 | 3.8773 | 8.4 | (1,3,-1) |
| 22.94 | 3.8773 | 8.5 | (1,3,1) |
| 22.95 | 3.8756 | 8.5 | (1,-3,-1) |
| 22.95 | 3.8753 | 8.4 | (1,-3,1) |
| 24.17 | 3.6819 | 2.0 | (1,0,-2) |
| 24.17 | 3.6816 | 2.0 | (1,0,2) |
| 24.27 | 3.6668 | 3.1 | (2,0,-1) |
| 24.28 | 3.6665 | 3.1 | (2,0,1) |
| 24.42 | 3.6452 | 9.9 | (0,2,2) |
| 24.42 | 3.6450 | 9.8 | (0,2,-2) |
| 24.55 | 3.6266 | 8.6 | (2,2,0) |
| 24.56 | 3.6245 | 8.5 | (2,-2,0) |
| 26.77 | 3.3304 | 1.0 | (1,2,-2) |
| 26.77 | 3.3304 | 1.0 | (1,2,2) |
| 26.77 | 3.3298 | 1.0 | (1,-2,-2) |
| 26.78 | 3.3294 | 1.0 | (1,-2,2) |
| 26.86 | 3.3197 | 23.9 | (2,2,-1) |
| 26.86 | 3.3195 | 23.7 | (2,2,1) |
Energy Properties
Formation Energy/atom
-0.74373
eV/atom
Energy/atom
-43.37117
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-43.3712
eV/atom
Volume/atom
29.27
ų
c/a Ratio
1.0069
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0231
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pb · 0.444
Element Family
PostTransition-Noble
Solute Fraction
0.556
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2284
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.2128
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
0.000%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5854
smaller = more stable mixing
VEC
7.111
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8861
SS Former
1
Phase Tendency
SS
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293232
Reference Citation
The crystal structure and related material properties of Tb11Dy6Ho3Pb16 were obtained from the Materials Project database (MP-ID: mp-3293232, 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_Tb11Dy6Ho3Pb16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18768577
_cell_length_b 15.61302240
_cell_length_c 8.24408740
_cell_angle_alpha 89.99669488
_cell_angle_beta 90.00544618
_cell_angle_gamma 89.96097000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb11Dy6Ho3Pb16
_chemical_formula_sum 'Tb11 Dy6 Ho3 Pb16'
_cell_volume 1053.87871521
_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 0.88186184 0.11982028 0.65762411 1.0
Tb Tb1 1 0.61794212 0.88042370 0.15761622 1.0
Tb Tb2 1 0.11868742 0.61932088 0.34230297 1.0
Tb Tb3 1 0.45685806 0.60186650 0.67461932 1.0
Tb Tb4 1 0.95634379 0.89755963 0.82620520 1.0
Tb Tb5 1 0.54383510 0.10268805 0.32611063 1.0
Tb Tb6 1 0.04330249 0.39761802 0.17372958 1.0
Tb Tb7 1 0.54254796 0.39787547 0.32563108 1.0
Tb Tb8 1 0.04289084 0.10234801 0.17403525 1.0
Tb Tb9 1 0.45722172 0.89785783 0.67434757 1.0
Tb Tb10 1 0.95740783 0.60209054 0.82584709 1.0
Dy Dy11 1 0.61923492 0.61990289 0.15732965 1.0
Dy Dy12 1 0.11926729 0.88026630 0.34283358 1.0
Dy Dy13 1 0.38093218 0.12002014 0.84291163 1.0
Dy Dy14 1 0.88068543 0.38015457 0.65693954 1.0
Dy Dy15 1 0.38128508 0.37987391 0.84259663 1.0
Dy Dy16 1 0.78616069 0.74992213 0.49648132 1.0
Ho Ho17 1 0.28599993 0.74994282 0.00359920 1.0
Ho Ho18 1 0.21402823 0.25001244 0.50361093 1.0
Ho Ho19 1 0.71383009 0.25023447 0.99633287 1.0
Pb Pb20 1 0.72347725 0.45625723 0.96976973 1.0
Pb Pb21 1 0.22484110 0.04390210 0.52930863 1.0
Pb Pb22 1 0.27511193 0.95630951 0.02927896 1.0
Pb Pb23 1 0.77564815 0.54355262 0.47014976 1.0
Pb Pb24 1 0.27739725 0.54360323 0.02948595 1.0
Pb Pb25 1 0.77712265 0.95613262 0.47024101 1.0
Pb Pb26 1 0.72302714 0.04421908 0.97034007 1.0
Pb Pb27 1 0.22316989 0.45572476 0.53057913 1.0
Pb Pb28 1 0.42404847 0.74974747 0.37006019 1.0
Pb Pb29 1 0.92471172 0.75019000 0.12967178 1.0
Pb Pb30 1 0.57528999 0.25005492 0.63007284 1.0
Pb Pb31 1 0.07549866 0.25041800 0.87011910 1.0
Pb Pb32 1 0.64456634 0.74974544 0.84712850 1.0
Pb Pb33 1 0.14509660 0.75003443 0.65334250 1.0
Pb Pb34 1 0.35530532 0.25006418 0.15322446 1.0
Pb Pb35 1 0.85536256 0.25024583 0.34652503 1.0
