Tb7Yb12YSn16
高熵材料 HEAMP-ID: mp-3293296 · Space group: P1 (#1)
Basic Information
Formula
Tb7Yb12YSn16
MP-ID
mp-3293296
Elements
4
Sites
36
Density
8.2135
g/cm³
Volume
1,046.69
ų
Cell a
7.8204
Å
Cell b
8.3972
Å
Cell c
15.9388
Å
α Angle
90.01
°
β Angle
90.01
°
γ Angle
90.00
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
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 |
|---|---|---|---|
| 5.54 | 15.9388 | 2.5 | (0,0,1) |
| 11.10 | 7.9694 | 10.2 | (0,0,2) |
| 15.48 | 5.7231 | 5.0 | (1,-1,0) |
| 15.48 | 5.7227 | 9.7 | (1,1,0) |
| 19.09 | 4.6487 | 1.1 | (1,-1,-2) |
| 19.09 | 4.6485 | 1.2 | (1,-1,2) |
| 19.09 | 4.6480 | 1.9 | (1,1,2) |
| 19.77 | 4.4900 | 2.5 | (0,1,-3) |
| 19.78 | 4.4895 | 3.3 | (0,1,3) |
| 23.96 | 3.7148 | 3.5 | (0,2,-2) |
| 23.96 | 3.7145 | 1.7 | (0,2,2) |
| 24.06 | 3.6993 | 2.9 | (1,-2,0) |
| 24.06 | 3.6991 | 2.3 | (1,2,0) |
| 24.71 | 3.6035 | 1.3 | (1,-2,1) |
| 24.71 | 3.6035 | 2.0 | (1,-2,-1) |
| 24.71 | 3.6034 | 2.9 | (1,2,-1) |
| 24.71 | 3.6032 | 1.6 | (1,2,1) |
| 25.12 | 3.5448 | 2.8 | (2,-1,0) |
| 25.12 | 3.5446 | 2.1 | (2,1,0) |
| 25.37 | 3.5107 | 1.8 | (2,0,-2) |
| 25.37 | 3.5102 | 3.4 | (2,0,2) |
| 25.75 | 3.4604 | 4.6 | (2,-1,-1) |
| 25.75 | 3.4602 | 4.8 | (2,1,-1) |
| 25.75 | 3.4602 | 5.4 | (2,-1,1) |
Energy Properties
Formation Energy/atom
-0.73290
eV/atom
Energy/atom
-30.54374
eV/atom
Energy above Hull
0.0274
eV/atom
Uncorrected Energy
-30.5437
eV/atom
Volume/atom
29.07
ų
c/a Ratio
2.0381
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
5.9370
μB
Mag. Ordering
FM
Mag. Sites
19
Magnetization/Volume
0.005670
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.444
Element Family
PostTransition-Noble
Solute Fraction
0.556
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1446
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.5161
J/mol·K
Ω Parameter
6.5367
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.343%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4248
smaller = more stable mixing
VEC
8.278
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.393
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8256
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293296
Reference Citation
The crystal structure and related material properties of Tb7Yb12YSn16 were obtained from the Materials Project database (MP-ID: mp-3293296, 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_Tb7Yb12YSn16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.82041109
_cell_length_b 8.39718488
_cell_length_c 15.93881387
_cell_angle_alpha 90.00596560
_cell_angle_beta 90.00931192
_cell_angle_gamma 90.00456254
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb7Yb12YSn16
_chemical_formula_sum 'Tb7 Yb12 Y1 Sn16'
_cell_volume 1046.69292336
_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 0.17706346 0.33297650 0.87773241 1.0
Tb Tb1 1 0.32291358 0.83305861 0.12220496 1.0
Tb Tb2 1 0.82299806 0.66699537 0.37773857 1.0
Tb Tb3 1 0.32295123 0.83300313 0.37777523 1.0
Tb Tb4 1 0.82290933 0.66703077 0.12217387 1.0
Tb Tb5 1 0.67697133 0.16703276 0.87766864 1.0
Tb Tb6 1 0.17700086 0.33286376 0.62236339 1.0
Yb Yb7 1 0.51032800 0.69062269 0.59422452 1.0
Yb Yb8 1 0.01005817 0.80955718 0.90575437 1.0
Yb Yb9 1 0.48979311 0.30954874 0.09410457 1.0
Yb Yb10 1 0.98975416 0.19053541 0.40577808 1.0
Yb Yb11 1 0.48988402 0.30960679 0.40588259 1.0
Yb Yb12 1 0.98983046 0.19043591 0.09411444 1.0
Yb Yb13 1 0.51012872 0.69029338 0.90579363 1.0
Yb Yb14 1 0.01027232 0.80949224 0.59429524 1.0
Yb Yb15 1 0.84131965 0.51178484 0.74996175 1.0
Yb Yb16 1 0.34124732 0.98804268 0.75013117 1.0
Yb Yb17 1 0.15869389 0.48817597 0.24990926 1.0
Yb Yb18 1 0.65873197 0.01195722 0.24996705 1.0
Y Y19 1 0.67730554 0.16663578 0.62233319 1.0
Sn Sn20 1 0.66791117 0.96580464 0.45863045 1.0
Sn Sn21 1 0.16781777 0.53439400 0.04131819 1.0
Sn Sn22 1 0.33207931 0.03431716 0.95861002 1.0
Sn Sn23 1 0.83191873 0.46601799 0.54152786 1.0
Sn Sn24 1 0.33236140 0.03443956 0.54146850 1.0
Sn Sn25 1 0.83221574 0.46563219 0.95855335 1.0
Sn Sn26 1 0.66777605 0.96562192 0.04129592 1.0
Sn Sn27 1 0.16777334 0.53425653 0.45861762 1.0
Sn Sn28 1 0.47615657 0.37775403 0.75027616 1.0
Sn Sn29 1 0.97611886 0.12203005 0.75009612 1.0
Sn Sn30 1 0.52388304 0.62229547 0.24987266 1.0
Sn Sn31 1 0.02393213 0.87784840 0.24984688 1.0
Sn Sn32 1 0.72414022 0.87177875 0.75017377 1.0
Sn Sn33 1 0.22434417 0.62799761 0.75006309 1.0
Sn Sn34 1 0.27576142 0.12814994 0.24988621 1.0
Sn Sn35 1 0.77565288 0.37201002 0.24985628 1.0
