La10Ga3Si2Os
高熵材料 HEAMP-ID: mp-3295270 · Space group: P1 (#1)
Basic Information
Formula
La10Ga3Si2Os
MP-ID
mp-3295270
Elements
4
Sites
32
Density
6.5668
g/cm³
Volume
932.90
ų
Cell a
8.0591
Å
Cell b
8.0558
Å
Cell c
14.3695
Å
α Angle
90.09
°
β Angle
89.95
°
γ Angle
90.14
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
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 |
|---|---|---|---|
| 10.98 | 8.0591 | 18.9 | (1,0,0) |
| 10.98 | 8.0558 | 13.9 | (0,1,0) |
| 12.32 | 7.1847 | 41.3 | (0,0,2) |
| 12.59 | 7.0317 | 17.6 | (0,1,-1) |
| 12.59 | 7.0314 | 22.0 | (1,0,1) |
| 12.60 | 7.0267 | 18.0 | (1,0,-1) |
| 12.61 | 7.0221 | 21.9 | (0,1,1) |
| 15.53 | 5.7044 | 9.6 | (1,-1,0) |
| 15.57 | 5.6906 | 5.3 | (1,1,0) |
| 16.52 | 5.3663 | 3.5 | (0,1,-2) |
| 16.52 | 5.3651 | 18.5 | (1,0,2) |
| 16.54 | 5.3609 | 5.9 | (1,0,-2) |
| 16.55 | 5.3577 | 14.8 | (0,1,2) |
| 16.71 | 5.3050 | 12.5 | (1,-1,1) |
| 16.73 | 5.2988 | 12.4 | (1,-1,-1) |
| 19.90 | 4.4621 | 2.9 | (1,1,-2) |
| 19.91 | 4.4596 | 1.9 | (1,1,2) |
| 21.57 | 4.1199 | 3.1 | (0,1,-3) |
| 21.57 | 4.1189 | 1.8 | (1,0,3) |
| 21.59 | 4.1161 | 3.0 | (1,0,-3) |
| 21.60 | 4.1142 | 1.2 | (0,1,3) |
| 22.06 | 4.0295 | 8.2 | (2,0,0) |
| 22.07 | 4.0279 | 8.3 | (0,2,0) |
| 22.92 | 3.8807 | 3.0 | (2,0,1) |
Energy Properties
Formation Energy/atom
-0.55110
eV/atom
Energy/atom
-25.69540
eV/atom
Energy above Hull
0.0006
eV/atom
Uncorrected Energy
-25.6954
eV/atom
Volume/atom
29.15
ų
c/a Ratio
1.7830
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
3.8311
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.004110
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.125
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0408
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6535
J/mol·K
Ω Parameter
0.3860
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
19.014%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3988
smaller = more stable mixing
VEC
3.438
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-27.347
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7508
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295270
Reference Citation
The crystal structure and related material properties of La10Ga3Si2Os were obtained from the Materials Project database (MP-ID: mp-3295270, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_La10Ga3Si2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05910119
_cell_length_b 8.05583009
_cell_length_c 14.36949226
_cell_angle_alpha 90.09171824
_cell_angle_beta 89.95462797
_cell_angle_gamma 90.13944100
_symmetry_Int_Tables_number 1
_chemical_formula_structural La10Ga3Si2Os
_chemical_formula_sum 'La20 Ga6 Si4 Os2'
_cell_volume 932.90270360
_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 0.49992784 0.01071269 0.78409630 1.0
La La1 1 0.34869501 0.31919583 0.11248712 1.0
La La2 1 0.84159764 0.82180487 0.89316539 1.0
La La3 1 0.99604688 0.49463843 0.21965307 1.0
La La4 1 0.81912414 0.19749756 0.38594488 1.0
La La5 1 0.15171163 0.17706602 0.88912782 1.0
La La6 1 0.66517289 0.67928211 0.10594070 1.0
La La7 1 0.99966924 0.49252490 0.71573456 1.0
La La8 1 0.82366489 0.85494799 0.61297042 1.0
La La9 1 0.31851533 0.33328569 0.39281214 1.0
La La10 1 0.17944168 0.83946182 0.09969968 1.0
La La11 1 0.18176976 0.16114703 0.60752118 1.0
La La12 1 0.80158754 0.17829778 0.11361262 1.0
La La13 1 0.33365496 0.68618521 0.60159802 1.0
La La14 1 0.50425678 0.00082571 0.27998290 1.0
La La15 1 0.70281261 0.31868131 0.88494807 1.0
La La16 1 0.67809212 0.30361286 0.61290652 1.0
La La17 1 0.31440416 0.66377893 0.89867098 1.0
La La18 1 0.15765393 0.82012565 0.40059261 1.0
La La19 1 0.67938256 0.65069418 0.38840416 1.0
Ga Ga20 1 0.49857135 0.99984934 0.49982330 1.0
Ga Ga21 1 0.00114896 0.49906756 0.00042418 1.0
Ga Ga22 1 0.37716315 0.62214749 0.25011626 1.0
Ga Ga23 1 0.61375951 0.61808928 0.74975765 1.0
Ga Ga24 1 0.49947645 0.99998243 0.00153355 1.0
Ga Ga25 1 0.99857045 0.49959346 0.49790471 1.0
Si Si26 1 0.88803616 0.88616484 0.24996872 1.0
Si Si27 1 0.12275137 0.87878008 0.75047205 1.0
Si Si28 1 0.38493938 0.38857637 0.75062043 1.0
Si Si29 1 0.11198792 0.11032072 0.24988277 1.0
Os Os30 1 0.61809951 0.38107580 0.24981045 1.0
Os Os31 1 0.88831521 0.11258207 0.74981380 1.0
