ReSnGe
High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELAMP-ID: mp-631754 · Space group: F-43m (#216)
Basic Information
Formula
ReSnGe
MP-ID
mp-631754
Elements
3
Sites
3
Density
10.4574
g/cm³
Volume
59.95
ų
Cell a
4.3931
Å
Cell b
4.3931
Å
Cell c
4.3931
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 11)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 24.82 | 3.5870 | 16.6 | (1,1,1) |
| 28.74 | 3.1064 | 46.8 | (1,1,0) |
| 41.09 | 2.1966 | 100.0 | (2,1,1) |
| 48.60 | 1.8732 | 8.0 | (2,2,1) |
| 50.92 | 1.7935 | 13.4 | (2,2,2) |
| 59.52 | 1.5532 | 17.0 | (2,2,0) |
| 65.49 | 1.4253 | 3.2 | (3,1,1) |
| 67.41 | 1.3892 | 17.8 | (3,2,1) |
| 74.87 | 1.2682 | 35.1 | (3,3,2) |
| 80.30 | 1.1957 | 2.3 | (3,3,3) |
| 89.16 | 1.0983 | 11.8 | (4,2,2) |
Energy Properties
Formation Energy/atom
0.95173
eV/atom
Energy/atom
-29.39120
eV/atom
Energy above Hull
0.9517
eV/atom
Uncorrected Energy
-6.0791
eV/atom
Volume/atom
19.98
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0020
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000030
μB/ų
Elastic Properties
KVRH
114.439
GPa
GVRH
-14.031
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
0.564
Pugh Ratio K/G
-8.156
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
1.434
Lame λ
123.793
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Re · 0.333
Element Family
5d-TM
Solute Fraction
0.667
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
2.4585
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.718%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.0450
smaller = more stable mixing
VEC
5.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
6.409
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.230
Family
Re-rich Multi-Component
Matrix Element
Re · 0.333
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.4340
Homogeneous Poisson ν
0.5640
Homogeneity
0.5640
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-631754
Reference Citation
The crystal structure and related material properties of ReSnGe were obtained from the Materials Project database (MP-ID: mp-631754, 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_ReSnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39312715
_cell_length_b 4.39312715
_cell_length_c 4.39312715
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReSnGe
_chemical_formula_sum 'Re1 Sn1 Ge1'
_cell_volume 59.95236537
_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
Re Re0 1 0.00000000 0.00000000 0.00000000 1.0
Sn Sn1 1 0.50000000 0.50000000 0.50000000 1.0
Ge Ge2 1 0.75000000 0.75000000 0.75000000 1.0
