Yb4Pr16Ga5Sn7
High-Entropy Materials HEAMP-ID: mp-3292918 · Space group: Pm (#6)
Basic Information
Formula
Yb4Pr16Ga5Sn7
MP-ID
mp-3292918
Elements
4
Sites
32
Density
7.0794
g/cm³
Volume
967.85
ų
Cell a
8.1773
Å
Cell b
8.1719
Å
Cell c
14.4836
Å
α Angle
90.01
°
β Angle
89.99
°
γ Angle
90.04
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 12.22 | 7.2418 | 20.6 | (0,0,2) |
| 15.32 | 5.7824 | 6.8 | (1,-1,0) |
| 15.33 | 5.7783 | 7.2 | (1,1,0) |
| 21.75 | 4.0859 | 1.1 | (0,2,0) |
| 25.01 | 3.5607 | 8.9 | (2,0,2) |
| 25.01 | 3.5601 | 8.9 | (2,0,-2) |
| 25.02 | 3.5588 | 10.2 | (0,2,-2) |
| 25.02 | 3.5584 | 10.2 | (0,2,2) |
| 25.11 | 3.5464 | 8.5 | (2,-1,1) |
| 25.11 | 3.5461 | 8.4 | (2,-1,-1) |
| 25.12 | 3.5451 | 7.8 | (1,-2,1) |
| 25.12 | 3.5447 | 7.7 | (1,-2,-1) |
| 25.12 | 3.5444 | 9.5 | (2,1,1) |
| 25.13 | 3.5443 | 9.5 | (2,1,-1) |
| 25.13 | 3.5431 | 8.8 | (1,2,-1) |
| 25.14 | 3.5430 | 8.8 | (1,2,1) |
| 29.09 | 3.0692 | 36.9 | (1,-1,4) |
| 29.10 | 3.0686 | 37.0 | (1,-1,-4) |
| 29.10 | 3.0683 | 29.3 | (1,1,4) |
| 29.10 | 3.0682 | 29.2 | (1,1,-4) |
| 30.66 | 2.9157 | 78.5 | (2,-1,3) |
| 30.67 | 2.9151 | 78.5 | (2,-1,-3) |
| 30.67 | 2.9150 | 77.9 | (1,-2,3) |
| 30.68 | 2.9145 | 78.9 | (2,1,3) |
Energy Properties
Formation Energy/atom
-0.68985
eV/atom
Energy/atom
-27.15916
eV/atom
Energy above Hull
0.0035
eV/atom
Uncorrected Energy
-27.1592
eV/atom
Volume/atom
30.25
ų
c/a Ratio
1.7712
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.2385
μB
Mag. Ordering
FiM
Mag. Sites
16
Magnetization/Volume
0.003350
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pr · 0.500
Element Family
Lanthanide
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2290
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.2180
J/mol·K
Ω Parameter
67.1846
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.626%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3773
smaller = more stable mixing
VEC
4.594
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.137
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8865
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292918
Reference Citation
The crystal structure and related material properties of Yb4Pr16Ga5Sn7 were obtained from the Materials Project database (MP-ID: mp-3292918, 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_Yb4Pr16Ga5Sn7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.17732302
_cell_length_b 8.17188651
_cell_length_c 14.48358376
_cell_angle_alpha 90.00878423
_cell_angle_beta 89.99023796
_cell_angle_gamma 90.04074321
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb4Pr16Ga5Sn7
_chemical_formula_sum 'Yb4 Pr16 Ga5 Sn7'
_cell_volume 967.85298585
_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 0.99355886 0.49660287 0.74862502 1.0
Yb Yb1 1 0.00485931 0.50182434 0.24857477 1.0
Yb Yb2 1 0.49745802 0.99512460 0.25149877 1.0
Yb Yb3 1 0.50672536 0.99709886 0.75128286 1.0
Pr Pr4 1 0.82271809 0.82731272 0.60516593 1.0
Pr Pr5 1 0.16832697 0.83168880 0.10770175 1.0
Pr Pr6 1 0.16704642 0.83076427 0.39242047 1.0
Pr Pr7 1 0.83603835 0.16363746 0.39508066 1.0
Pr Pr8 1 0.67446500 0.67739976 0.39307068 1.0
Pr Pr9 1 0.67497754 0.32860176 0.60387235 1.0
Pr Pr10 1 0.33557538 0.67109348 0.60030877 1.0
Pr Pr11 1 0.67320333 0.67838345 0.10700859 1.0
Pr Pr12 1 0.67597978 0.32984076 0.89609926 1.0
Pr Pr13 1 0.82379724 0.82618450 0.89493050 1.0
Pr Pr14 1 0.32242444 0.32783074 0.39276171 1.0
Pr Pr15 1 0.16733089 0.17082794 0.60204783 1.0
Pr Pr16 1 0.83526950 0.16269271 0.10482632 1.0
Pr Pr17 1 0.33446649 0.67053742 0.89967383 1.0
Pr Pr18 1 0.32343982 0.32664776 0.10716064 1.0
Pr Pr19 1 0.16633909 0.17162770 0.89783533 1.0
Ga Ga20 1 0.37588307 0.62458974 0.25008084 1.0
Ga Ga21 1 0.88074740 0.88129954 0.24997215 1.0
Ga Ga22 1 0.62358505 0.62412532 0.74999705 1.0
Ga Ga23 1 0.87544365 0.12434886 0.75002782 1.0
Ga Ga24 1 0.11882316 0.11972670 0.25001523 1.0
Sn Sn25 1 0.62313220 0.37743433 0.24999639 1.0
Sn Sn26 1 0.12307505 0.87645174 0.74991287 1.0
Sn Sn27 1 0.37751484 0.37802378 0.75002215 1.0
Sn Sn28 1 0.99985958 0.50140014 0.49980943 1.0
Sn Sn29 1 0.49883045 0.00266201 0.49880466 1.0
Sn Sn30 1 0.49904238 0.00282372 0.00024839 1.0
Sn Sn31 1 0.00006329 0.50139224 0.00116598 1.0
