LaSn3Ru
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-30756 · Space group: Pm-3n (#223)
Basic Information
Formula
LaSn3Ru
MP-ID
mp-30756
Elements
3
Sites
40
Density
8.3434
g/cm³
Volume
949.12
ų
Cell a
9.8274
Å
Cell b
9.8275
Å
Cell c
9.8275
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
Yes
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 |
|---|---|---|---|
| 12.74 | 6.9491 | 1.9 | (1,1,0) |
| 18.05 | 4.9137 | 12.9 | (0,2,0) |
| 18.05 | 4.9137 | 6.4 | (2,0,0) |
| 22.16 | 4.0120 | 1.7 | (1,2,-1) |
| 22.16 | 4.0120 | 1.7 | (1,-1,2) |
| 22.16 | 4.0120 | 1.2 | (1,2,1) |
| 22.16 | 4.0120 | 1.2 | (2,1,-1) |
| 22.16 | 4.0120 | 1.2 | (2,1,1) |
| 28.73 | 3.1077 | 11.5 | (1,0,-3) |
| 28.73 | 3.1077 | 11.6 | (1,-3,0) |
| 28.73 | 3.1077 | 7.7 | (1,3,0) |
| 28.73 | 3.1077 | 3.9 | (3,0,-1) |
| 28.73 | 3.1077 | 7.7 | (3,1,0) |
| 28.73 | 3.1077 | 3.9 | (3,0,1) |
| 31.54 | 2.8369 | 4.2 | (2,2,-2) |
| 31.54 | 2.8369 | 4.2 | (2,-2,-2) |
| 31.54 | 2.8369 | 4.2 | (2,-2,2) |
| 31.54 | 2.8369 | 4.2 | (2,2,2) |
| 32.86 | 2.7257 | 100.0 | (0,3,-2) |
| 32.86 | 2.7256 | 50.0 | (0,2,3) |
| 32.86 | 2.7256 | 100.0 | (2,0,-3) |
| 32.86 | 2.7256 | 50.0 | (2,-3,0) |
| 32.86 | 2.7256 | 100.0 | (2,3,0) |
| 32.86 | 2.7256 | 50.0 | (3,0,-2) |
Energy Properties
Formation Energy/atom
-0.53118
eV/atom
Energy/atom
-5.77901
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.4475
eV/atom
Volume/atom
23.73
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
1.2654
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.001330
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.600
Element Family
PostTransition-Noble
Solute Fraction
0.400
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9503
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.9005
J/mol·K
Ω Parameter
0.6306
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.038%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3796
smaller = more stable mixing
VEC
4.600
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-13.319
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8650
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.739
Family
Sn-rich Multi-Component
Matrix Element
Sn · 0.600
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30756
Reference Citation
The crystal structure and related material properties of LaSn3Ru were obtained from the Materials Project database (MP-ID: mp-30756, 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_LaSn3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.82742301
_cell_length_b 9.82745436
_cell_length_c 9.82745540
_cell_angle_alpha 90.00003253
_cell_angle_beta 90.00005329
_cell_angle_gamma 90.00001545
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaSn3Ru
_chemical_formula_sum 'La8 Sn24 Ru8'
_cell_volume 949.12140360
_cell_formula_units_Z 8
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 0.00000973 0.25000002 0.49999122 1.0
La La1 1 0.00001015 0.74999979 0.49998976 1.0
La La2 1 0.49999037 0.99997177 0.75000523 1.0
La La3 1 0.49999070 0.99997198 0.24999465 1.0
La La4 1 0.74999592 0.50002909 0.00000875 1.0
La La5 1 0.25000356 0.50002848 0.00000866 1.0
La La6 1 0.49998891 0.50003184 0.49999144 1.0
La La7 1 0.00001111 0.99996789 0.00000845 1.0
Sn Sn8 1 0.00000476 0.31641998 0.84195716 1.0
Sn Sn9 1 0.00000641 0.68358925 0.15805638 1.0
Sn Sn10 1 0.81641686 0.50000988 0.34194832 1.0
Sn Sn11 1 0.18358566 0.50001370 0.34194655 1.0
Sn Sn12 1 0.65804402 0.18357958 0.49999255 1.0
Sn Sn13 1 0.34195336 0.18357973 0.49999500 1.0
Sn Sn14 1 0.49999343 0.65805139 0.81641800 1.0
Sn Sn15 1 0.49999788 0.34195688 0.18358486 1.0
Sn Sn16 1 0.00000187 0.31641983 0.15804793 1.0
Sn Sn17 1 0.49999453 0.34195711 0.81641854 1.0
Sn Sn18 1 0.49999401 0.65805405 0.18358593 1.0
Sn Sn19 1 0.65804974 0.81641135 0.49999081 1.0
Sn Sn20 1 0.34194577 0.81641100 0.49999127 1.0
Sn Sn21 1 0.18358563 0.50001011 0.65804784 1.0
Sn Sn22 1 0.81641778 0.50000833 0.65804361 1.0
Sn Sn23 1 0.15805078 -0.00001399 0.31641476 1.0
Sn Sn24 1 0.31641550 0.15804407 0.00000457 1.0
Sn Sn25 1 0.68358165 0.84194938 0.00000845 1.0
Sn Sn26 1 0.15805022 0.99998976 0.68358194 1.0
Sn Sn27 1 0.68358160 0.15804256 0.00000764 1.0
Sn Sn28 1 0.84195187 0.99998975 0.31641446 1.0
Sn Sn29 1 0.84195463 0.99999156 0.68358133 1.0
Sn Sn30 1 0.31641484 0.84194491 0.00000814 1.0
Sn Sn31 1 0.00000730 0.68358866 0.84195118 1.0
Ru Ru32 1 0.74999905 0.24999798 0.25000150 1.0
Ru Ru33 1 0.24999704 0.25000329 0.75000066 1.0
Ru Ru34 1 0.24999946 0.74999993 0.25000054 1.0
Ru Ru35 1 0.75000391 0.74999789 0.74999808 1.0
Ru Ru36 1 0.24999600 0.74999603 0.75000036 1.0
Ru Ru37 1 0.75000013 0.75000162 0.25000220 1.0
Ru Ru38 1 0.75000354 0.25000166 0.74999915 1.0
Ru Ru39 1 0.25000134 0.24999988 0.24999915 1.0
