La3Co4Sn13
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-672373 · Space group: Pm-3n (#223)
Basic Information
Formula
La3Co4Sn13
MP-ID
mp-672373
Elements
3
Sites
40
Density
8.1341
g/cm³
Volume
896.48
ų
Cell a
9.6423
Å
Cell b
9.6423
Å
Cell c
9.6423
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 |
|---|---|---|---|
| 18.40 | 4.8212 | 3.4 | (0,0,2) |
| 18.40 | 4.8212 | 3.4 | (2,0,0) |
| 18.40 | 4.8211 | 3.4 | (0,2,0) |
| 26.14 | 3.4091 | 5.8 | (0,2,-2) |
| 26.14 | 3.4091 | 5.8 | (2,0,2) |
| 26.14 | 3.4091 | 5.8 | (2,2,0) |
| 26.14 | 3.4091 | 5.8 | (2,0,-2) |
| 26.14 | 3.4091 | 5.8 | (2,-2,0) |
| 26.14 | 3.4090 | 5.8 | (0,2,2) |
| 29.29 | 3.0492 | 4.1 | (0,1,-3) |
| 29.29 | 3.0492 | 8.3 | (1,0,3) |
| 29.29 | 3.0492 | 4.1 | (3,0,1) |
| 29.29 | 3.0492 | 4.1 | (3,1,0) |
| 29.29 | 3.0492 | 4.1 | (1,0,-3) |
| 29.29 | 3.0492 | 4.1 | (1,3,0) |
| 29.29 | 3.0492 | 4.1 | (3,0,-1) |
| 29.29 | 3.0492 | 4.1 | (3,-1,0) |
| 29.29 | 3.0492 | 8.3 | (1,-3,0) |
| 29.29 | 3.0491 | 4.1 | (0,3,1) |
| 33.51 | 2.6743 | 100.0 | (0,2,-3) |
| 33.51 | 2.6743 | 100.0 | (0,3,-2) |
| 33.51 | 2.6743 | 100.0 | (2,0,3) |
| 33.51 | 2.6743 | 100.0 | (3,0,2) |
| 33.51 | 2.6743 | 100.0 | (3,2,0) |
Energy Properties
Formation Energy/atom
-0.39512
eV/atom
Energy/atom
-5.16843
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.5205
eV/atom
Volume/atom
22.41
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
0.0001
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 · 0.650
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
0.6997
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.506%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3020
smaller = more stable mixing
VEC
4.850
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.068
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-672373
Reference Citation
The crystal structure and related material properties of La3Co4Sn13 were obtained from the Materials Project database (MP-ID: mp-672373, 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_La3Co4Sn13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.64229217
_cell_length_b 9.64226495
_cell_length_c 9.64230826
_cell_angle_alpha 90.00108076
_cell_angle_beta 89.99964716
_cell_angle_gamma 89.99963486
_symmetry_Int_Tables_number 1
_chemical_formula_structural La3Co4Sn13
_chemical_formula_sum 'La6 Co8 Sn26'
_cell_volume 896.47949238
_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 0.49999392 -0.00000849 0.74999989 1.0
La La1 1 0.25000242 0.50001208 0.00000348 1.0
La La2 1 0.50000253 0.00000739 0.24999745 1.0
La La3 1 0.74999743 0.49998791 0.00001180 1.0
La La4 1 0.99998946 0.25000286 0.49998423 1.0
La La5 1 0.00001376 0.74999948 0.50000058 1.0
Co Co6 1 0.74999775 0.74999887 0.24999847 1.0
Co Co7 1 0.25000158 0.74999893 0.24999905 1.0
Co Co8 1 0.74999923 0.25000094 0.24999984 1.0
Co Co9 1 0.25000052 0.25000116 0.75000052 1.0
Co Co10 1 0.75000043 0.25000224 0.75000065 1.0
Co Co11 1 0.74999897 0.74999838 0.75000124 1.0
Co Co12 1 0.25000115 0.24999994 0.25000041 1.0
Co Co13 1 0.25000092 0.74999828 0.75000118 1.0
Sn Sn14 1 0.34207406 0.80113485 0.50000527 1.0
Sn Sn15 1 0.19886371 0.49999970 0.34207791 1.0
Sn Sn16 1 0.84208144 0.00000506 0.69886103 1.0
Sn Sn17 1 0.50000598 0.34208137 0.80114046 1.0
Sn Sn18 1 0.00000744 0.99997621 0.99998040 1.0
Sn Sn19 1 0.00000273 0.69886023 0.15792023 1.0
Sn Sn20 1 0.15792502 0.00000238 0.30113716 1.0
Sn Sn21 1 0.65792394 0.19886467 0.49999325 1.0
Sn Sn22 1 0.15792284 -0.00001326 0.69886121 1.0
Sn Sn23 1 0.50000283 0.34207492 0.19886427 1.0
Sn Sn24 1 0.84207714 0.00000667 0.30113636 1.0
Sn Sn25 1 0.30113832 0.84207445 -0.00000533 1.0
Sn Sn26 1 0.69885846 0.84207898 0.00000546 1.0
Sn Sn27 1 0.80113641 0.49999362 0.34207536 1.0
Sn Sn28 1 -0.00000344 0.30113859 0.15792488 1.0
Sn Sn29 1 0.30114041 0.15791782 0.00000940 1.0
Sn Sn30 1 0.65791705 0.80113717 0.49999507 1.0
Sn Sn31 1 0.49998763 0.65792387 0.80113958 1.0
Sn Sn32 1 0.19886368 0.50001405 0.65792177 1.0
Sn Sn33 1 0.80113752 0.49999399 0.65792184 1.0
Sn Sn34 1 0.49999260 0.50002360 0.50001994 1.0
Sn Sn35 1 0.34207813 0.19886177 0.49998949 1.0
Sn Sn36 1 0.00001308 0.69886130 0.84207820 1.0
Sn Sn37 1 -0.00000713 0.30114074 0.84208018 1.0
Sn Sn38 1 0.49999843 0.65792266 0.19886173 1.0
Sn Sn39 1 0.69886164 0.15792462 0.00000610 1.0
