Yb4Pr16Ga5Sn11
High-Entropy Materials HEAMP-ID: mp-3292129 · Space group: P1 (#1)
Basic Information
Formula
Yb4Pr16Ga5Sn11
MP-ID
mp-3292129
Elements
4
Sites
36
Density
7.0661
g/cm³
Volume
1,081.26
ų
Cell a
7.9386
Å
Cell b
8.5418
Å
Cell c
15.9457
Å
α Angle
90.19
°
β Angle
89.75
°
γ Angle
90.06
°
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 |
|---|---|---|---|
| 11.10 | 7.9727 | 12.9 | (0,0,2) |
| 15.23 | 5.8182 | 11.7 | (1,-1,0) |
| 15.25 | 5.8117 | 10.6 | (1,1,0) |
| 16.19 | 5.4754 | 1.1 | (1,-1,1) |
| 16.24 | 5.4587 | 1.5 | (1,1,-1) |
| 22.40 | 3.9693 | 9.3 | (2,0,0) |
| 23.60 | 3.7700 | 1.6 | (0,2,-2) |
| 23.67 | 3.7595 | 1.8 | (0,2,2) |
| 23.67 | 3.7594 | 1.3 | (1,2,0) |
| 24.28 | 3.6664 | 4.8 | (1,-2,1) |
| 24.32 | 3.6597 | 4.4 | (1,2,-1) |
| 24.33 | 3.6584 | 7.3 | (1,2,1) |
| 24.33 | 3.6582 | 4.2 | (1,-2,-1) |
| 24.72 | 3.6011 | 5.2 | (2,-1,0) |
| 24.74 | 3.5981 | 3.6 | (2,1,0) |
| 25.02 | 3.5596 | 7.5 | (2,0,2) |
| 25.11 | 3.5470 | 8.3 | (2,0,-2) |
| 25.33 | 3.5168 | 5.9 | (2,-1,1) |
| 25.36 | 3.5118 | 7.0 | (2,1,1) |
| 25.39 | 3.5086 | 7.6 | (2,-1,-1) |
| 25.39 | 3.5079 | 4.4 | (2,1,-1) |
| 27.04 | 3.2970 | 4.3 | (1,-1,4) |
| 27.11 | 3.2888 | 4.1 | (1,1,4) |
| 27.14 | 3.2859 | 6.6 | (1,1,-4) |
Energy Properties
Formation Energy/atom
-0.81554
eV/atom
Energy/atom
-27.09339
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.0934
eV/atom
Volume/atom
30.03
ų
c/a Ratio
2.0086
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
6.4457
μB
Mag. Ordering
FM
Mag. Sites
20
Magnetization/Volume
0.005960
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pr · 0.444
Element Family
Lanthanide
Solute Fraction
0.556
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2410
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.3177
J/mol·K
Ω Parameter
51.9785
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.570%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3950
smaller = more stable mixing
VEC
4.528
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.170
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8952
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292129
Reference Citation
The crystal structure and related material properties of Yb4Pr16Ga5Sn11 were obtained from the Materials Project database (MP-ID: mp-3292129, 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_Yb4Pr16Ga5Sn11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93864275
_cell_length_b 8.54176592
_cell_length_c 15.94565167
_cell_angle_alpha 90.19131643
_cell_angle_beta 89.74648151
_cell_angle_gamma 90.06454887
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb4Pr16Ga5Sn11
_chemical_formula_sum 'Yb4 Pr16 Ga5 Sn11'
_cell_volume 1081.25780679
_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 0.82868953 0.50790471 0.74926928 1.0
Yb Yb1 1 0.33087931 0.98927806 0.74923138 1.0
Yb Yb2 1 0.16823522 0.49134298 0.25231921 1.0
Yb Yb3 1 0.67029782 0.01264386 0.25181347 1.0
Pr Pr4 1 0.67486772 0.17004294 0.62427312 1.0
Pr Pr5 1 0.17071949 0.32110745 0.87058125 1.0
Pr Pr6 1 0.32916400 0.82199844 0.12948102 1.0
Pr Pr7 1 0.82379866 0.68907608 0.37481453 1.0
Pr Pr8 1 0.33537394 0.82379989 0.37163349 1.0
Pr Pr9 1 0.83055582 0.67961039 0.12984044 1.0
Pr Pr10 1 0.67016016 0.17837440 0.87016621 1.0
Pr Pr11 1 0.17033164 0.31923288 0.62788619 1.0
Pr Pr12 1 0.51312292 0.68579146 0.59385511 1.0
Pr Pr13 1 0.01111641 0.81616715 0.90373608 1.0
Pr Pr14 1 0.48934486 0.31703899 0.09679837 1.0
Pr Pr15 1 0.98008234 0.17955655 0.40555815 1.0
Pr Pr16 1 0.48926679 0.31284763 0.40431070 1.0
Pr Pr17 1 0.98968518 0.18514104 0.09606619 1.0
Pr Pr18 1 0.51094323 0.68316640 0.90416575 1.0
Pr Pr19 1 0.01336746 0.81684152 0.59675797 1.0
Ga Ga20 1 0.66054957 0.97160547 0.45943783 1.0
Ga Ga21 1 0.46949287 0.39690846 0.74784698 1.0
Ga Ga22 1 0.96970491 0.09723813 0.74871884 1.0
Ga Ga23 1 0.53026638 0.59860626 0.24976104 1.0
Ga Ga24 1 0.03116092 0.90168747 0.25343406 1.0
Sn Sn25 1 0.17087271 0.53199882 0.03830121 1.0
Sn Sn26 1 0.32927623 0.03208692 0.96192104 1.0
Sn Sn27 1 0.83072711 0.46870399 0.53864985 1.0
Sn Sn28 1 0.33775893 0.03022927 0.53703841 1.0
Sn Sn29 1 0.82913018 0.46817239 0.96201341 1.0
Sn Sn30 1 0.67183895 0.96862783 0.03839275 1.0
Sn Sn31 1 0.16873993 0.53172434 0.46111439 1.0
Sn Sn32 1 0.72259892 0.86775898 0.75024766 1.0
Sn Sn33 1 0.22378264 0.62931152 0.74937562 1.0
Sn Sn34 1 0.27585901 0.13176524 0.25013822 1.0
Sn Sn35 1 0.77824026 0.37261106 0.25105278 1.0
