La13Sm7Si15Ge
High-Entropy Materials HEAMP-ID: mp-3292910 · Space group: P1 (#1)
Basic Information
Formula
La13Sm7Si15Ge
MP-ID
mp-3292910
Elements
4
Sites
36
Density
5.7497
g/cm³
Volume
968.14
ų
Cell a
8.0120
Å
Cell b
8.0107
Å
Cell c
15.0845
Å
α Angle
90.15
°
β Angle
89.91
°
γ Angle
90.08
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 5.86 | 15.0844 | 4.7 | (0,0,1) |
| 12.50 | 7.0825 | 4.5 | (0,1,-1) |
| 12.50 | 7.0804 | 4.6 | (1,0,1) |
| 12.52 | 7.0674 | 5.1 | (0,1,1) |
| 15.65 | 5.6609 | 1.9 | (1,1,0) |
| 16.12 | 5.4984 | 1.5 | (0,1,-2) |
| 16.13 | 5.4960 | 1.1 | (1,0,2) |
| 16.15 | 5.4874 | 1.3 | (1,0,-2) |
| 16.16 | 5.4843 | 2.9 | (0,1,2) |
| 16.73 | 5.2987 | 1.0 | (1,1,1) |
| 19.56 | 4.5380 | 6.1 | (1,-1,2) |
| 19.60 | 4.5290 | 4.9 | (1,1,-2) |
| 19.61 | 4.5260 | 8.6 | (1,1,2) |
| 19.62 | 4.5252 | 5.0 | (1,-1,-2) |
| 22.19 | 4.0060 | 13.5 | (2,0,0) |
| 22.19 | 4.0053 | 9.7 | (0,2,0) |
| 22.96 | 3.8737 | 20.8 | (0,2,-1) |
| 22.96 | 3.8733 | 15.3 | (2,0,1) |
| 22.98 | 3.8703 | 17.7 | (2,0,-1) |
| 22.99 | 3.8687 | 17.4 | (0,2,1) |
| 23.62 | 3.7671 | 13.9 | (1,-1,3) |
| 23.66 | 3.7606 | 13.4 | (1,1,-3) |
| 23.68 | 3.7580 | 12.9 | (1,1,3) |
| 23.69 | 3.7562 | 12.4 | (1,-1,-3) |
Energy Properties
Formation Energy/atom
-0.79892
eV/atom
Energy/atom
-21.36256
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.3626
eV/atom
Volume/atom
26.89
ų
c/a Ratio
1.8827
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.9643
μB
Mag. Ordering
FM
Mag. Sites
11
Magnetization/Volume
0.008230
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.417
Element Family
Metalloid-Nonmetal
Solute Fraction
0.583
Interstitial Fraction
0.417
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1506
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.5658
J/mol·K
Ω Parameter
0.5999
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
23.305%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3900
smaller = more stable mixing
VEC
4.028
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-22.784
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8300
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292910
Reference Citation
The crystal structure and related material properties of La13Sm7Si15Ge were obtained from the Materials Project database (MP-ID: mp-3292910, 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_La13Sm7Si15Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.01197221
_cell_length_b 8.01071792
_cell_length_c 15.08448303
_cell_angle_alpha 90.14741744
_cell_angle_beta 89.90940780
_cell_angle_gamma 90.08055885
_symmetry_Int_Tables_number 1
_chemical_formula_structural La13Sm7Si15Ge
_chemical_formula_sum 'La13 Sm7 Si15 Ge1'
_cell_volume 968.14163427
_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
La La0 1 0.13645094 0.98590123 0.87200175 1.0
La La1 1 0.99095395 0.62871911 0.04771573 1.0
La La2 1 0.01028501 0.36919829 0.54510392 1.0
La La3 1 0.63161755 0.98840586 0.95508918 1.0
La La4 1 0.13257211 0.51096071 0.79398794 1.0
La La5 1 0.86764559 0.48975453 0.29489399 1.0
La La6 1 0.50932709 0.13003517 0.20471233 1.0
La La7 1 0.49096155 0.87073844 0.70322038 1.0
La La8 1 0.36958030 0.01158386 0.45470070 1.0
La La9 1 0.68411024 0.68941202 0.49993793 1.0
La La10 1 0.81543318 0.18579039 0.75039119 1.0
La La11 1 0.18582164 0.81600252 0.24974458 1.0
La La12 1 0.30910891 0.30913724 0.99911196 1.0
Sm Sm13 1 0.36422026 0.48988753 0.37777168 1.0
Sm Sm14 1 0.86205547 0.01305984 0.37123007 1.0
Sm Sm15 1 0.98702290 0.13710130 0.12937978 1.0
Sm Sm16 1 0.01141956 0.86339223 0.62713878 1.0
Sm Sm17 1 0.63645099 0.51155183 0.87836572 1.0
Sm Sm18 1 0.49118730 0.36486318 0.62075371 1.0
Sm Sm19 1 0.51020199 0.63355612 0.12397433 1.0
Si Si20 1 0.91908506 0.28920371 0.94560589 1.0
Si Si21 1 0.71338216 0.07879060 0.55552982 1.0
Si Si22 1 0.21239990 0.42270555 0.19462510 1.0
Si Si23 1 0.78813460 0.57471813 0.69259780 1.0
Si Si24 1 0.42660954 0.21534278 0.80367334 1.0
Si Si25 1 0.57630766 0.78839803 0.30634668 1.0
Si Si26 1 0.29335561 0.92176838 0.05865096 1.0
Si Si27 1 0.83734444 0.79145114 0.80491352 1.0
Si Si28 1 0.15808596 0.20789179 0.30916080 1.0
Si Si29 1 0.79283911 0.84107821 0.19183374 1.0
Si Si30 1 0.29594986 0.65800096 0.56007711 1.0
Si Si31 1 0.70469151 0.34223560 0.05902296 1.0
Si Si32 1 0.65878568 0.29509960 0.44128017 1.0
Si Si33 1 0.34414013 0.70061101 0.94601093 1.0
Si Si34 1 0.20853021 0.16105986 0.68906922 1.0
Ge Ge35 1 0.07393206 0.71259025 0.44237834 1.0
