La3Sn13Rh4
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-30513 · Space group: Pm-3n (#223)
Basic Information
Formula
La3Sn13Rh4
MP-ID
mp-30513
Elements
3
Sites
40
Density
8.4733
g/cm³
Volume
929.53
ų
Cell a
9.7594
Å
Cell b
9.7594
Å
Cell c
9.7594
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3n
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
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 |
|---|---|---|---|
| 18.18 | 4.8797 | 10.0 | (2,0,0) |
| 28.93 | 3.0862 | 11.2 | (3,1,0) |
| 31.76 | 2.8173 | 1.6 | (2,2,2) |
| 31.76 | 2.8173 | 4.9 | (2,2,-2) |
| 33.10 | 2.7068 | 100.0 | (3,2,0) |
| 33.10 | 2.7068 | 100.0 | (3,0,-2) |
| 34.38 | 2.6083 | 18.7 | (3,2,1) |
| 34.38 | 2.6083 | 18.7 | (3,2,-1) |
| 34.38 | 2.6083 | 37.3 | (3,1,-2) |
| 36.84 | 2.4398 | 43.6 | (4,0,0) |
| 38.02 | 2.3670 | 14.1 | (4,1,0) |
| 38.02 | 2.3670 | 14.1 | (4,0,-1) |
| 39.16 | 2.3003 | 6.3 | (3,3,0) |
| 39.16 | 2.3003 | 6.2 | (3,0,-3) |
| 41.37 | 2.1823 | 9.5 | (4,2,0) |
| 41.37 | 2.1823 | 9.5 | (4,0,-2) |
| 45.53 | 1.9921 | 11.2 | (4,2,2) |
| 45.53 | 1.9921 | 22.3 | (4,2,-2) |
| 45.53 | 1.9921 | 11.2 | (4,-2,-2) |
| 46.53 | 1.9519 | 3.9 | (4,3,0) |
| 46.53 | 1.9519 | 3.9 | (4,0,-3) |
| 47.51 | 1.9140 | 3.4 | (5,1,0) |
| 47.51 | 1.9140 | 3.2 | (5,0,-1) |
| 50.35 | 1.8123 | 1.7 | (4,3,2) |
Energy Properties
Formation Energy/atom
-0.61015
eV/atom
Energy/atom
-5.42964
eV/atom
Energy above Hull
0.0010
eV/atom
Uncorrected Energy
-5.4296
eV/atom
Volume/atom
23.24
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
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 · 0.650
Element Family
PostTransition-Noble
Solute Fraction
0.350
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8865
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.3701
J/mol·K
Ω Parameter
0.5654
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.922%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3566
smaller = more stable mixing
VEC
4.850
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-12.444
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8069
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.778
Family
Sn-rich Multi-Component
Matrix Element
Sn · 0.650
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30513
Reference Citation
The crystal structure and related material properties of La3Sn13Rh4 were obtained from the Materials Project database (MP-ID: mp-30513, 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_La3Sn13Rh4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.75935360
_cell_length_b 9.75935360
_cell_length_c 9.75935360
_cell_angle_alpha 89.99997734
_cell_angle_beta 89.99997734
_cell_angle_gamma 89.99997734
_symmetry_Int_Tables_number 1
_chemical_formula_structural La3Sn13Rh4
_chemical_formula_sum 'La6 Sn26 Rh8'
_cell_volume 929.52946470
_cell_formula_units_Z 2
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
La La0 1 0.00000200 0.25000000 0.49999800 1.0
La La1 1 0.99999800 0.75000000 0.50000200 1.0
La La2 1 0.50000200 0.99999800 0.75000000 1.0
La La3 1 0.49999800 0.00000200 0.25000000 1.0
La La4 1 0.75000000 0.50000200 0.99999800 1.0
La La5 1 0.25000000 0.49999800 0.00000200 1.0
Sn Sn6 1 0.50000000 0.34638237 0.19450305 1.0
Sn Sn7 1 0.80549695 0.50000000 0.34638337 1.0
Sn Sn8 1 0.19450305 0.50000000 0.34638237 1.0
Sn Sn9 1 0.65361663 0.19450305 0.50000000 1.0
Sn Sn10 1 0.34638237 0.19450305 0.50000000 1.0
Sn Sn11 1 0.50000000 0.65361763 0.80549695 1.0
Sn Sn12 1 -0.00000000 -0.00000000 0.00000000 1.0
Sn Sn13 1 0.50000000 0.50000000 0.50000000 1.0
Sn Sn14 1 -0.00000000 0.30549695 0.15361763 1.0
Sn Sn15 1 0.50000000 0.34638337 0.80549695 1.0
Sn Sn16 1 0.50000000 0.65361663 0.19450305 1.0
Sn Sn17 1 0.65361763 0.80549695 0.50000000 1.0
Sn Sn18 1 0.34638337 0.80549695 0.50000000 1.0
Sn Sn19 1 0.19450305 0.50000000 0.65361663 1.0
Sn Sn20 1 0.80549695 0.50000000 0.65361763 1.0
Sn Sn21 1 0.15361763 -0.00000000 0.30549695 1.0
Sn Sn22 1 0.30549695 0.15361763 -0.00000000 1.0
Sn Sn23 1 0.69450305 0.84638237 0.00000000 1.0
Sn Sn24 1 0.15361663 -0.00000000 0.69450305 1.0
Sn Sn25 1 0.69450305 0.15361663 -0.00000000 1.0
Sn Sn26 1 0.84638337 0.00000000 0.30549695 1.0
Sn Sn27 1 0.84638237 0.00000000 0.69450305 1.0
Sn Sn28 1 0.30549695 0.84638337 0.00000000 1.0
Sn Sn29 1 0.00000000 0.69450305 0.84638237 1.0
Sn Sn30 1 0.00000000 0.30549695 0.84638337 1.0
Sn Sn31 1 -0.00000000 0.69450305 0.15361663 1.0
Rh Rh32 1 0.25000000 0.25000000 0.25000000 1.0
Rh Rh33 1 0.75000000 0.25000000 0.25000000 1.0
Rh Rh34 1 0.25000000 0.25000000 0.75000000 1.0
Rh Rh35 1 0.25000000 0.75000000 0.25000000 1.0
Rh Rh36 1 0.75000000 0.75000000 0.75000000 1.0
Rh Rh37 1 0.25000000 0.75000000 0.75000000 1.0
Rh Rh38 1 0.75000000 0.75000000 0.25000000 1.0
Rh Rh39 1 0.75000000 0.25000000 0.75000000 1.0
