Yb2NiSn4Ru
High-Entropy Materials HEAMP-ID: mp-3249229 · Space group: Amm2 (#38)
Basic Information
Formula
Yb2NiSn4Ru
MP-ID
mp-3249229
Elements
4
Sites
8
Density
9.6517
g/cm³
Volume
168.72
ų
Cell a
5.7637
Å
Cell b
5.7637
Å
Cell c
7.3615
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
136.37
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 24.18 | 3.6808 | 1.8 | (0,0,2) |
| 25.46 | 3.4987 | 2.0 | (0,1,1) |
| 25.46 | 3.4987 | 2.0 | (1,0,1) |
| 29.45 | 3.0326 | 6.0 | (1,-1,2) |
| 32.67 | 2.7411 | 13.4 | (1,-2,0) |
| 32.67 | 2.7411 | 13.4 | (2,-1,0) |
| 33.17 | 2.7012 | 100.0 | (1,0,2) |
| 33.49 | 2.6755 | 9.5 | (2,-2,0) |
| 34.93 | 2.5688 | 60.2 | (2,-1,1) |
| 35.71 | 2.5146 | 34.0 | (2,-2,1) |
| 40.44 | 2.2305 | 22.8 | (1,-1,3) |
| 41.06 | 2.1985 | 22.3 | (2,-1,2) |
| 41.74 | 2.1642 | 12.3 | (2,-2,2) |
| 42.20 | 2.1416 | 35.1 | (1,1,0) |
| 43.33 | 2.0883 | 6.7 | (0,1,3) |
| 43.33 | 2.0883 | 6.7 | (1,0,3) |
| 49.53 | 1.8404 | 10.7 | (0,0,4) |
| 49.88 | 1.8283 | 7.3 | (2,-1,3) |
| 50.47 | 1.8084 | 3.9 | (2,-2,3) |
| 52.30 | 1.7494 | 1.3 | (0,2,2) |
| 52.30 | 1.7494 | 1.3 | (2,0,2) |
| 54.91 | 1.6720 | 2.4 | (1,-3,0) |
| 54.91 | 1.6720 | 2.4 | (3,-1,0) |
| 54.98 | 1.6702 | 3.7 | (1,0,4) |
Energy Properties
Formation Energy/atom
-0.49514
eV/atom
Energy/atom
-26.67636
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.6764
eV/atom
Volume/atom
21.09
ų
c/a Ratio
1.2772
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
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
Sn · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2130
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.0849
J/mol·K
Ω Parameter
4.5700
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.866%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3948
smaller = more stable mixing
VEC
7.750
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-2.358
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8750
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3249229
Reference Citation
The crystal structure and related material properties of Yb2NiSn4Ru were obtained from the Materials Project database (MP-ID: mp-3249229, 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_Yb2NiSn4Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76365093
_cell_length_b 5.76365183
_cell_length_c 7.36152858
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 136.37462821
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb2NiSn4Ru
_chemical_formula_sum 'Yb2 Ni1 Sn4 Ru1'
_cell_volume 168.72321131
_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 0.43457306 0.56542694 0.25000000 1.0
Yb Yb1 1 0.56737486 0.43262514 0.75000000 1.0
Ni Ni2 1 0.70943820 0.29056180 0.25000000 1.0
Sn Sn3 1 0.85471932 0.14528068 0.54196992 1.0
Sn Sn4 1 0.14380435 0.85619565 0.44834651 1.0
Sn Sn5 1 0.85471932 0.14528068 0.95802908 1.0
Sn Sn6 1 0.14380435 0.85619565 0.05165349 1.0
Ru Ru7 1 0.29156654 0.70843346 0.75000000 1.0
