Pr5Sn2Pt
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3296235 · Space group: Pnma (#62)
Basic Information
Formula
Pr5Sn2Pt
MP-ID
mp-3296235
Elements
3
Sites
32
Density
7.6069
g/cm³
Volume
992.84
ų
Cell a
8.3004
Å
Cell b
9.2846
Å
Cell c
12.8830
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 12.69 | 6.9776 | 9.7 | (1,0,1) |
| 13.75 | 6.4415 | 12.2 | (0,0,2) |
| 14.31 | 6.1881 | 4.9 | (1,1,0) |
| 19.12 | 4.6423 | 4.5 | (0,2,0) |
| 19.90 | 4.4625 | 4.1 | (1,1,2) |
| 21.41 | 4.1502 | 4.1 | (2,0,0) |
| 23.01 | 3.8650 | 5.4 | (1,2,1) |
| 23.32 | 3.8141 | 11.9 | (1,0,3) |
| 25.53 | 3.4888 | 4.7 | (2,0,2) |
| 25.98 | 3.4296 | 20.1 | (1,2,2) |
| 27.31 | 3.2658 | 3.1 | (2,1,2) |
| 27.70 | 3.2208 | 15.8 | (0,0,4) |
| 28.86 | 3.0940 | 6.6 | (2,2,0) |
| 29.70 | 3.0085 | 100.0 | (2,2,1) |
| 29.75 | 3.0026 | 67.7 | (1,0,4) |
| 29.94 | 2.9843 | 37.1 | (2,0,3) |
| 30.33 | 2.9470 | 44.0 | (1,2,3) |
| 30.83 | 2.8999 | 17.5 | (1,3,0) |
| 31.31 | 2.8570 | 7.1 | (1,1,4) |
| 31.49 | 2.8411 | 1.5 | (2,1,3) |
| 31.63 | 2.8291 | 2.9 | (1,3,1) |
| 32.09 | 2.7896 | 3.6 | (0,3,2) |
| 32.09 | 2.7890 | 97.3 | (2,2,2) |
| 33.12 | 2.7051 | 23.8 | (3,0,1) |
Energy Properties
Formation Energy/atom
-0.87313
eV/atom
Energy/atom
-31.87311
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-31.8731
eV/atom
Volume/atom
31.03
ų
c/a Ratio
1.5521
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0021
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pr · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9003
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.4847
J/mol·K
Ω Parameter
7.9297
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.963%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4628
smaller = more stable mixing
VEC
4.125
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.073
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8194
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.600
Family
Pr-rich Multi-Component
Matrix Element
Pr · 0.625
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296235
Reference Citation
The crystal structure and related material properties of Pr5Sn2Pt were obtained from the Materials Project database (MP-ID: mp-3296235, 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_Pr5Sn2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.30038376
_cell_length_b 9.28459475
_cell_length_c 12.88302511
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr5Sn2Pt
_chemical_formula_sum 'Pr20 Sn8 Pt4'
_cell_volume 992.83934233
_cell_formula_units_Z 4
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
Pr Pr0 1 0.83523010 0.75000000 0.78594863 1.0
Pr Pr1 1 0.16476990 0.25000000 0.21405137 1.0
Pr Pr2 1 0.33523010 0.25000000 0.71405137 1.0
Pr Pr3 1 0.66476990 0.75000000 0.28594863 1.0
Pr Pr4 1 0.36164853 0.75000000 0.70829922 1.0
Pr Pr5 1 0.63835147 0.25000000 0.29170078 1.0
Pr Pr6 1 0.86164853 0.25000000 0.79170078 1.0
Pr Pr7 1 0.13835147 0.75000000 0.20829922 1.0
Pr Pr8 1 0.95936022 0.75000000 0.49982568 1.0
Pr Pr9 1 0.04063978 0.25000000 0.50017432 1.0
Pr Pr10 1 0.45936022 0.25000000 0.00017432 1.0
Pr Pr11 1 0.54063978 0.75000000 0.99982568 1.0
Pr Pr12 1 0.68147785 0.03563218 0.56676195 1.0
Pr Pr13 1 0.31852215 0.96436782 0.43323805 1.0
Pr Pr14 1 0.18147785 0.96436782 0.93323805 1.0
Pr Pr15 1 0.31852215 0.53563218 0.43323805 1.0
Pr Pr16 1 0.81852215 0.03563218 0.06676195 1.0
Pr Pr17 1 0.68147785 0.46436782 0.56676195 1.0
Pr Pr18 1 0.81852215 0.46436782 0.06676195 1.0
Pr Pr19 1 0.18147785 0.53563218 0.93323805 1.0
Sn Sn20 1 0.56872457 0.49257102 0.82897389 1.0
Sn Sn21 1 0.43127543 0.50742898 0.17102611 1.0
Sn Sn22 1 0.06872457 0.50742898 0.67102611 1.0
Sn Sn23 1 0.43127543 0.99257102 0.17102611 1.0
Sn Sn24 1 0.93127543 0.49257102 0.32897389 1.0
Sn Sn25 1 0.56872457 0.00742898 0.82897389 1.0
Sn Sn26 1 0.93127543 0.00742898 0.32897389 1.0
Sn Sn27 1 0.06872457 0.99257102 0.67102611 1.0
Pt Pt28 1 0.56635660 0.75000000 0.51380141 1.0
Pt Pt29 1 0.43364340 0.25000000 0.48619859 1.0
Pt Pt30 1 0.06635660 0.25000000 0.98619859 1.0
Pt Pt31 1 0.93364340 0.75000000 0.01380141 1.0
