La2Al9OsPt2
High-Entropy Materials HEAMP-ID: mp-3292712 · Space group: C2/m (#12)
Basic Information
Formula
La2Al9OsPt2
MP-ID
mp-3292712
Elements
4
Sites
28
Density
7.4095
g/cm³
Volume
493.51
ų
Cell a
7.6667
Å
Cell b
7.6667
Å
Cell c
9.6608
Å
α Angle
89.86
°
β Angle
89.86
°
γ Angle
119.65
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 13.29 | 6.6630 | 5.4 | (1,0,-1,0) |
| 13.36 | 6.6277 | 8.4 | (1,-1,0,0) |
| 16.13 | 5.4961 | 7.0 | (1,0,-1,1) |
| 16.19 | 5.4738 | 7.0 | (1,0,-1,-1) |
| 18.37 | 4.8304 | 46.2 | (0,0,0,2) |
| 22.78 | 3.9036 | 3.4 | (1,-1,0,2) |
| 22.79 | 3.9027 | 1.1 | (1,0,-1,-2) |
| 23.08 | 3.8537 | 37.2 | (1,1,-2,0) |
| 23.20 | 3.8333 | 37.4 | (1,-2,1,0) |
| 23.20 | 3.8333 | 37.4 | (2,-1,-1,0) |
| 24.83 | 3.5857 | 8.3 | (1,1,-2,1) |
| 24.92 | 3.5733 | 7.4 | (1,1,-2,-1) |
| 24.97 | 3.5661 | 15.4 | (2,-1,-1,1) |
| 25.01 | 3.5600 | 17.2 | (2,-1,-1,-1) |
| 26.90 | 3.3139 | 3.2 | (2,-2,0,0) |
| 28.30 | 3.1537 | 5.0 | (2,0,-2,1) |
| 28.38 | 3.1453 | 4.2 | (2,0,-2,-1) |
| 29.58 | 3.0199 | 50.7 | (1,1,-2,2) |
| 29.72 | 3.0063 | 52.7 | (1,-2,1,-2) |
| 29.72 | 3.0063 | 52.7 | (2,-1,-1,2) |
| 29.73 | 3.0051 | 53.4 | (1,1,-2,-2) |
| 29.79 | 2.9990 | 100.0 | (2,-1,-1,-2) |
| 30.79 | 2.9043 | 2.6 | (1,0,-1,3) |
| 30.89 | 2.8944 | 2.2 | (1,0,-1,-3) |
Energy Properties
Formation Energy/atom
-0.86059
eV/atom
Energy/atom
-20.57767
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.5777
eV/atom
Volume/atom
17.63
ų
c/a Ratio
1.2601
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0015
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
Al · 0.643
Element Family
PostTransition-Noble
Solute Fraction
0.357
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0285
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5511
J/mol·K
Ω Parameter
0.2885
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.597%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3492
smaller = more stable mixing
VEC
4.357
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-38.475
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7419
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292712
Reference Citation
The crystal structure and related material properties of La2Al9OsPt2 were obtained from the Materials Project database (MP-ID: mp-3292712, 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_La2Al9OsPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66671344
_cell_length_b 7.66671511
_cell_length_c 9.66083301
_cell_angle_alpha 89.85503515
_cell_angle_beta 89.85503512
_cell_angle_gamma 119.64700505
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2Al9OsPt2
_chemical_formula_sum 'La4 Al18 Os2 Pt4'
_cell_volume 493.50560358
_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 0.99623980 0.66908596 0.25061559 1.0
La La1 1 0.00376020 0.33091404 0.74938441 1.0
La La2 1 0.66908596 0.99623980 0.25061559 1.0
La La3 1 0.33091404 0.00376020 0.74938441 1.0
Al Al4 1 0.13551285 0.13551285 0.25132107 1.0
Al Al5 1 0.86448715 0.86448715 0.74867893 1.0
Al Al6 1 0.00711944 0.33466958 0.07456541 1.0
Al Al7 1 0.99288056 0.66533042 0.92543459 1.0
Al Al8 1 0.99639331 0.66032429 0.56924623 1.0
Al Al9 1 0.33967571 0.00360669 0.43075377 1.0
Al Al10 1 0.00360669 0.33967571 0.43075377 1.0
Al Al11 1 0.66032429 0.99639331 0.56924623 1.0
Al Al12 1 0.66533042 0.99288056 0.92543459 1.0
Al Al13 1 0.33466958 0.00711944 0.07456541 1.0
Al Al14 1 0.33863010 0.33863010 0.54052799 1.0
Al Al15 1 0.66136990 0.66136990 0.45947201 1.0
Al Al16 1 0.66139419 0.66139419 0.05540829 1.0
Al Al17 1 0.33860581 0.33860581 0.94459171 1.0
Al Al18 1 0.34013501 0.54353403 0.25555016 1.0
Al Al19 1 0.65986499 0.45646597 0.74444984 1.0
Al Al20 1 0.54353403 0.34013501 0.25555016 1.0
Al Al21 1 0.45646597 0.65986499 0.74444984 1.0
Os Os22 1 0.32890648 0.67109352 0.50000000 1.0
Os Os23 1 0.67109352 0.32890648 0.50000000 1.0
Pt Pt24 1 0.67128166 0.32871834 0.00000000 1.0
Pt Pt25 1 0.32871834 0.67128166 1.00000000 1.0
Pt Pt26 1 0.00000000 0.00000000 0.00000000 1.0
Pt Pt27 1 0.00000000 0.00000000 0.50000000 1.0
