Yb8PrSc11Sn16
High-Entropy Materials HEAMP-ID: mp-3292318 · Space group: P1 (#1)
Basic Information
Formula
Yb8PrSc11Sn16
MP-ID
mp-3292318
Elements
4
Sites
36
Density
6.9666
g/cm³
Volume
934.14
ų
Cell a
7.6451
Å
Cell b
8.0738
Å
Cell c
15.1349
Å
α Angle
90.05
°
β Angle
90.08
°
γ Angle
90.60
°
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 |
|---|---|---|---|
| 5.84 | 15.1349 | 3.6 | (0,0,1) |
| 10.96 | 8.0734 | 4.6 | (0,1,0) |
| 11.58 | 7.6446 | 2.0 | (1,0,0) |
| 11.69 | 7.5674 | 8.2 | (0,0,2) |
| 12.42 | 7.1257 | 30.8 | (0,1,-1) |
| 12.43 | 7.1209 | 15.1 | (0,1,1) |
| 12.97 | 6.8273 | 1.5 | (1,0,-1) |
| 12.98 | 6.8199 | 1.8 | (1,0,1) |
| 15.88 | 5.5804 | 6.4 | (1,-1,0) |
| 16.05 | 5.5234 | 1.6 | (0,1,-2) |
| 16.06 | 5.5190 | 2.3 | (0,1,2) |
| 16.49 | 5.3745 | 1.6 | (1,0,2) |
| 16.93 | 5.2366 | 2.9 | (1,-1,-1) |
| 16.94 | 5.2352 | 3.2 | (1,-1,1) |
| 17.08 | 5.1900 | 3.7 | (1,1,-1) |
| 19.76 | 4.4922 | 12.1 | (1,-1,-2) |
| 19.77 | 4.4904 | 2.5 | (1,-1,2) |
| 19.89 | 4.4639 | 7.2 | (1,1,-2) |
| 19.92 | 4.4574 | 8.7 | (1,1,2) |
| 20.75 | 4.2799 | 23.3 | (0,1,-3) |
| 20.77 | 4.2768 | 31.2 | (0,1,3) |
| 21.11 | 4.2081 | 1.3 | (1,0,3) |
| 22.02 | 4.0367 | 1.6 | (0,2,0) |
| 23.27 | 3.8223 | 12.1 | (2,0,0) |
Energy Properties
Formation Energy/atom
-0.76975
eV/atom
Energy/atom
-24.18535
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.1854
eV/atom
Volume/atom
25.95
ų
c/a Ratio
1.9797
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
4.4885
μB
Mag. Ordering
FM
Mag. Sites
9
Magnetization/Volume
0.004800
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.444
Element Family
PostTransition-Noble
Solute Fraction
0.556
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1565
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6149
J/mol·K
Ω Parameter
0.7061
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
6.354%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3681
smaller = more stable mixing
VEC
5.889
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-14.381
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8342
SS Former
1
Phase Tendency
SS
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292318
Reference Citation
The crystal structure and related material properties of Yb8PrSc11Sn16 were obtained from the Materials Project database (MP-ID: mp-3292318, 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_Yb8PrSc11Sn16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64504889
_cell_length_b 8.07382717
_cell_length_c 15.13488921
_cell_angle_alpha 90.04569641
_cell_angle_beta 90.07649375
_cell_angle_gamma 90.60474508
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb8PrSc11Sn16
_chemical_formula_sum 'Yb8 Pr1 Sc11 Sn16'
_cell_volume 934.14488601
_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
Yb Yb0 1 0.82376420 0.66230602 0.87717942 1.0
Yb Yb1 1 0.50041661 0.31967963 0.90639996 1.0
Yb Yb2 1 0.00264735 0.18204924 0.59129895 1.0
Yb Yb3 1 0.50071380 0.68194534 0.40808796 1.0
Yb Yb4 1 0.99966885 0.81764948 0.09603820 1.0
Yb Yb5 1 0.49963972 0.68141148 0.09391457 1.0
Yb Yb6 1 0.00055382 0.81845797 0.40790834 1.0
Yb Yb7 1 0.50113668 0.31961863 0.59101596 1.0
Pr Pr8 1 0.99589725 0.17989829 0.90623671 1.0
Sc Sc9 1 0.32751151 0.83692005 0.87216053 1.0
Sc Sc10 1 0.82431859 0.66051943 0.62366335 1.0
Sc Sc11 1 0.67458134 0.15941766 0.37556046 1.0
Sc Sc12 1 0.17374990 0.34123566 0.12745637 1.0
Sc Sc13 1 0.67239622 0.15985052 0.12730499 1.0
Sc Sc14 1 0.17415200 0.33952056 0.37599230 1.0
Sc Sc15 1 0.32665958 0.83973901 0.62253760 1.0
Sc Sc16 1 0.15930790 0.49777898 0.74938923 1.0
Sc Sc17 1 0.65866863 0.00022974 0.74783191 1.0
Sc Sc18 1 0.84241899 0.50121891 0.25198221 1.0
Sc Sc19 1 0.34082995 0.99745087 0.24994657 1.0
Sn Sn20 1 0.32443593 0.04162671 0.04491149 1.0
Sn Sn21 1 0.82965233 0.46153258 0.45549192 1.0
Sn Sn22 1 0.67142568 0.96200656 0.54269212 1.0
Sn Sn23 1 0.17888163 0.53856155 0.95864902 1.0
Sn Sn24 1 0.65750452 0.96385884 0.95834919 1.0
Sn Sn25 1 0.16962420 0.53865452 0.54357242 1.0
Sn Sn26 1 0.33069172 0.04042218 0.45499138 1.0
Sn Sn27 1 0.83316737 0.45794105 0.04906342 1.0
Sn Sn28 1 0.51680875 0.62961860 0.74479950 1.0
Sn Sn29 1 0.02344416 0.87938353 0.74611583 1.0
Sn Sn30 1 0.47904689 0.37441474 0.25171117 1.0
Sn Sn31 1 0.97872649 0.12359781 0.25187525 1.0
Sn Sn32 1 0.29801636 0.14036884 0.74777752 1.0
Sn Sn33 1 0.79688085 0.35211334 0.74542777 1.0
Sn Sn34 1 0.70528179 0.85826970 0.25107662 1.0
Sn Sn35 1 0.20738043 0.64072997 0.25159080 1.0
