Yb11Pr9Sn16
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3292882 · Space group: P1 (#1)
Basic Information
Formula
Yb11Pr9Sn16
MP-ID
mp-3292882
Elements
3
Sites
36
Density
7.8095
g/cm³
Volume
1,078.24
ų
Cell a
7.9608
Å
Cell b
8.4844
Å
Cell c
15.9639
Å
α Angle
89.99
°
β Angle
89.99
°
γ Angle
90.02
°
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 |
|---|---|---|---|
| 5.54 | 15.9639 | 1.4 | (0,0,1) |
| 11.08 | 7.9819 | 21.9 | (0,0,2) |
| 11.81 | 7.4927 | 6.0 | (0,1,1) |
| 11.81 | 7.4913 | 7.8 | (0,1,-1) |
| 15.26 | 5.8066 | 12.5 | (1,-1,0) |
| 15.27 | 5.8042 | 10.2 | (1,1,0) |
| 18.90 | 4.6957 | 1.5 | (1,-1,-2) |
| 18.90 | 4.6955 | 2.2 | (1,-1,2) |
| 18.90 | 4.6949 | 1.8 | (1,1,2) |
| 18.91 | 4.6938 | 1.9 | (1,1,-2) |
| 22.34 | 3.9804 | 3.7 | (2,0,0) |
| 23.75 | 3.7463 | 1.9 | (0,2,2) |
| 23.75 | 3.7457 | 1.3 | (0,2,-2) |
| 23.76 | 3.7444 | 1.6 | (1,-2,0) |
| 23.77 | 3.7432 | 1.8 | (1,2,0) |
| 24.42 | 3.6456 | 3.7 | (1,-2,-1) |
| 24.42 | 3.6454 | 2.9 | (1,-2,1) |
| 24.42 | 3.6445 | 2.9 | (1,2,1) |
| 24.43 | 3.6441 | 3.4 | (1,2,-1) |
| 24.70 | 3.6041 | 3.8 | (2,-1,0) |
| 24.71 | 3.6030 | 3.8 | (2,1,0) |
| 25.00 | 3.5623 | 1.2 | (2,0,2) |
| 25.00 | 3.5619 | 1.1 | (2,0,-2) |
| 25.33 | 3.5157 | 5.5 | (2,-1,1) |
Energy Properties
Formation Energy/atom
-0.84642
eV/atom
Energy/atom
-30.35747
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.3575
eV/atom
Volume/atom
29.95
ų
c/a Ratio
2.0053
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
4.2207
μB
Mag. Ordering
FM
Mag. Sites
20
Magnetization/Volume
0.003910
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
1.0693
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.8898
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.775%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4208
smaller = more stable mixing
VEC
6.806
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9733
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.564
Family
Sn-rich Multi-Component
Matrix Element
Sn · 0.444
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292882
Reference Citation
The crystal structure and related material properties of Yb11Pr9Sn16 were obtained from the Materials Project database (MP-ID: mp-3292882, 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_Yb11Pr9Sn16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.96080834
_cell_length_b 8.48437010
_cell_length_c 15.96385301
_cell_angle_alpha 89.98771354
_cell_angle_beta 89.99170573
_cell_angle_gamma 90.02351313
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb11Pr9Sn16
_chemical_formula_sum 'Yb11 Pr9 Sn16'
_cell_volume 1078.23752543
_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 0.32757940 0.82895679 0.87692092 1.0
Yb Yb1 1 0.82810773 0.67072888 0.62279338 1.0
Yb Yb2 1 0.67156375 0.17132328 0.37624035 1.0
Yb Yb3 1 0.17306359 0.32802457 0.12491124 1.0
Yb Yb4 1 0.67019542 0.17142269 0.12494687 1.0
Yb Yb5 1 0.17125383 0.32880483 0.37614900 1.0
Yb Yb6 1 0.32812604 0.82861443 0.62273253 1.0
Yb Yb7 1 0.15728636 0.50301890 0.74832542 1.0
Yb Yb8 1 0.65508890 0.99632215 0.74759977 1.0
Yb Yb9 1 0.84372863 0.49373930 0.25060156 1.0
Yb Yb10 1 0.34349058 0.00650386 0.25070479 1.0
Pr Pr11 1 0.83040306 0.67533439 0.87545306 1.0
Pr Pr12 1 0.48922883 0.31267527 0.90431242 1.0
Pr Pr13 1 0.99121555 0.18538815 0.59485262 1.0
Pr Pr14 1 0.50962488 0.68615788 0.40359189 1.0
Pr Pr15 1 0.01199532 0.81461412 0.09893978 1.0
Pr Pr16 1 0.50965172 0.68568204 0.09791093 1.0
Pr Pr17 1 0.00916516 0.81421158 0.40359046 1.0
Pr Pr18 1 0.48929722 0.31391681 0.59428599 1.0
Pr Pr19 1 0.99108811 0.18389140 0.90399418 1.0
Sn Sn20 1 0.33231957 0.03668409 0.04078326 1.0
Sn Sn21 1 0.83352430 0.46382235 0.45947841 1.0
Sn Sn22 1 0.66607758 0.96377668 0.54002095 1.0
Sn Sn23 1 0.16879319 0.53404239 0.96056387 1.0
Sn Sn24 1 0.66469203 0.96619254 0.96092851 1.0
Sn Sn25 1 0.16544051 0.53568456 0.54001209 1.0
Sn Sn26 1 0.33343239 0.03628080 0.45957321 1.0
Sn Sn27 1 0.83414530 0.46201181 0.04111553 1.0
Sn Sn28 1 0.52715380 0.60443738 0.74947620 1.0
Sn Sn29 1 0.03017865 0.89630094 0.74860108 1.0
Sn Sn30 1 0.47146361 0.39532433 0.25067092 1.0
Sn Sn31 1 0.97104775 0.10550594 0.25023394 1.0
Sn Sn32 1 0.28303374 0.13991695 0.74965216 1.0
Sn Sn33 1 0.78134523 0.36064190 0.74967020 1.0
Sn Sn34 1 0.71794542 0.86140947 0.25008758 1.0
Sn Sn35 1 0.21825285 0.63863353 0.25027492 1.0
