Sr2LaCoO6
High-Entropy Materials HEAMP-ID: mp-1080670 · Space group: Fm-3m (#225)
Basic Information
Formula
Sr2LaCoO6
MP-ID
mp-1080670
Elements
4
Sites
10
Density
5.3769
g/cm³
Volume
144.86
ų
Cell a
5.8951
Å
Cell b
5.8951
Å
Cell c
5.8951
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
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 16)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 18.43 | 4.8133 | 6.3 | (1,1,1) |
| 21.32 | 4.1685 | 3.8 | (1,1,0) |
| 30.32 | 2.9476 | 100.0 | (2,1,1) |
| 35.72 | 2.5137 | 6.7 | (2,2,1) |
| 37.37 | 2.4067 | 1.7 | (2,2,2) |
| 43.42 | 2.0842 | 33.6 | (2,2,0) |
| 47.54 | 1.9126 | 4.5 | (3,2,2) |
| 48.85 | 1.8642 | 1.0 | (3,2,1) |
| 53.87 | 1.7018 | 38.8 | (3,3,2) |
| 57.43 | 1.6044 | 1.9 | (3,3,3) |
| 63.08 | 1.4738 | 20.0 | (4,2,2) |
| 66.33 | 1.4092 | 1.7 | (4,3,2) |
| 71.58 | 1.3182 | 17.9 | (4,3,1) |
| 79.68 | 1.2033 | 6.4 | (4,4,4) |
| 82.66 | 1.1674 | 1.0 | (5,3,3) |
| 87.58 | 1.1141 | 21.2 | (5,4,3) |
Energy Properties
Formation Energy/atom
-2.45822
eV/atom
Energy/atom
-6.97242
eV/atom
Energy above Hull
0.1701
eV/atom
Uncorrected Energy
-6.3964
eV/atom
Volume/atom
14.49
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.0000
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.013810
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0889
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.0531
J/mol·K
Ω Parameter
5.7602
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
57.534%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.1146
smaller = more stable mixing
VEC
4.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.847
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7855
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1080670
Reference Citation
The crystal structure and related material properties of Sr2LaCoO6 were obtained from the Materials Project database (MP-ID: mp-1080670, 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_Sr2LaCoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89510257
_cell_length_b 5.89510257
_cell_length_c 5.89510257
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2LaCoO6
_chemical_formula_sum 'Sr2 La1 Co1 O6'
_cell_volume 144.86354169
_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
Sr Sr0 1 0.75000000 0.75000000 0.75000000 1.0
Sr Sr1 1 0.25000000 0.25000000 0.25000000 1.0
La La2 1 0.50000000 0.50000000 0.50000000 1.0
Co Co3 1 0.00000000 0.00000000 0.00000000 1.0
O O4 1 0.77282400 0.77282400 0.22717600 1.0
O O5 1 0.22717600 0.22717600 0.77282400 1.0
O O6 1 0.22717600 0.77282400 0.77282400 1.0
O O7 1 0.77282400 0.22717600 0.22717600 1.0
O O8 1 0.77282400 0.22717600 0.77282400 1.0
O O9 1 0.22717600 0.77282400 0.22717600 1.0
