LaGeOs
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-631288 · Space group: F-43m (#216)
Basic Information
Formula
LaGeOs
MP-ID
mp-631288
Elements
3
Sites
3
Density
8.6958
g/cm³
Volume
76.72
ų
Cell a
4.7696
Å
Cell b
4.7696
Å
Cell c
4.7696
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.84 | 3.8943 | 47.1 | (1,1,1) |
| 26.43 | 3.3726 | 12.4 | (1,1,0) |
| 37.72 | 2.3848 | 100.0 | (2,1,1) |
| 44.55 | 2.0338 | 24.6 | (2,2,1) |
| 46.65 | 1.9472 | 3.6 | (2,2,2) |
| 54.41 | 1.6863 | 17.4 | (2,2,0) |
| 59.76 | 1.5475 | 10.4 | (3,2,2) |
| 61.48 | 1.5083 | 4.8 | (3,2,1) |
| 68.10 | 1.3769 | 35.3 | (3,3,2) |
| 72.87 | 1.2981 | 7.7 | (3,3,3) |
| 80.56 | 1.1924 | 11.1 | (4,2,2) |
| 85.09 | 1.1401 | 7.9 | (4,3,2) |
| 86.59 | 1.1242 | 2.4 | (4,3,3) |
Energy Properties
Formation Energy/atom
0.92552
eV/atom
Energy/atom
-6.00328
eV/atom
Energy above Hull
1.4934
eV/atom
Uncorrected Energy
-6.0033
eV/atom
Volume/atom
25.57
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
0.0399
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000520
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
0.7210
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
20.382%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4801
smaller = more stable mixing
VEC
5.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-24.113
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
AM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.230
Family
La-rich Multi-Component
Matrix Element
La · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-631288
Reference Citation
The crystal structure and related material properties of LaGeOs were obtained from the Materials Project database (MP-ID: mp-631288, 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_LaGeOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76956535
_cell_length_b 4.76956535
_cell_length_c 4.76956535
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaGeOs
_chemical_formula_sum 'La1 Ge1 Os1'
_cell_volume 76.72226439
_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 0.75000000 0.75000000 0.75000000 1.0
Ge Ge1 1 0.50000000 0.50000000 0.50000000 1.0
Os Os2 1 0.00000000 0.00000000 0.00000000 1.0
