Sr2LaCrO6
High-Entropy Materials HEAMP-ID: mp-1079391 · Space group: Fm-3m (#225)
Basic Information
Formula
Sr2LaCrO6
MP-ID
mp-1079391
Elements
4
Sites
10
Density
5.1732
g/cm³
Volume
148.34
ų
Cell a
5.9419
Å
Cell b
5.9419
Å
Cell c
5.9419
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 17)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 18.29 | 4.8516 | 8.0 | (1,1,1) |
| 21.15 | 4.2016 | 3.1 | (1,1,0) |
| 30.08 | 2.9710 | 100.0 | (2,1,1) |
| 35.43 | 2.5336 | 8.7 | (2,2,1) |
| 37.06 | 2.4258 | 2.1 | (2,2,2) |
| 43.06 | 2.1008 | 33.7 | (2,2,0) |
| 47.14 | 1.9278 | 5.8 | (3,2,2) |
| 53.42 | 1.7153 | 38.5 | (3,3,2) |
| 56.94 | 1.6172 | 2.5 | (3,3,3) |
| 62.53 | 1.4855 | 20.0 | (4,2,2) |
| 65.74 | 1.4204 | 2.2 | (4,3,2) |
| 70.93 | 1.3287 | 18.0 | (4,3,1) |
| 73.97 | 1.2815 | 1.1 | (4,4,3) |
| 78.93 | 1.2129 | 6.4 | (4,4,4) |
| 81.86 | 1.1767 | 1.3 | (5,3,3) |
| 86.71 | 1.1229 | 21.1 | (5,4,3) |
| 89.61 | 1.0940 | 2.7 | (5,4,4) |
Energy Properties
Formation Energy/atom
-2.74976
eV/atom
Energy/atom
-7.51593
eV/atom
Energy above Hull
0.2374
eV/atom
Uncorrected Energy
-6.9038
eV/atom
Volume/atom
14.83
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
1.0002
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.006740
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
38.2162
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
57.457%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.1297
smaller = more stable mixing
VEC
3.700
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.137
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-1079391
Reference Citation
The crystal structure and related material properties of Sr2LaCrO6 were obtained from the Materials Project database (MP-ID: mp-1079391, 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_Sr2LaCrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94192293
_cell_length_b 5.94192293
_cell_length_c 5.94192293
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2LaCrO6
_chemical_formula_sum 'Sr2 La1 Cr1 O6'
_cell_volume 148.34265460
_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
Cr Cr3 1 0.00000000 0.00000000 0.00000000 1.0
O O4 1 0.77515900 0.77515900 0.22484100 1.0
O O5 1 0.22484100 0.77515900 0.22484100 1.0
O O6 1 0.77515900 0.22484100 0.22484100 1.0
O O7 1 0.22484100 0.22484100 0.77515900 1.0
O O8 1 0.77515900 0.22484100 0.77515900 1.0
O O9 1 0.22484100 0.77515900 0.77515900 1.0
