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Sr2Co2O5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-645208 · Space group: Pnma (#62)

Basic Information

Formula
Sr2Co2O5
MP-ID
mp-645208
Elements
3
Sites
36
Density
5.2959
g/cm³
Volume
467.95
ų
Cell a
5.3297
Å
Cell b
5.4081
Å
Cell c
16.2348
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
10.90 8.1174 9.3 (0,0,2)
17.28 5.1309 2.8 (0,1,1)
23.25 3.8254 3.7 (0,1,3)
23.43 3.7961 1.9 (1,1,0)
24.08 3.6964 1.4 (1,1,1)
25.91 3.4387 1.3 (1,1,2)
28.73 3.1077 1.2 (1,1,3)
32.15 2.7838 1.8 (0,1,5)
32.29 2.7724 100.0 (1,1,4)
33.13 2.7041 31.6 (0,2,0)
33.63 2.6648 33.6 (2,0,0)
37.71 2.3853 1.2 (1,2,1)
40.07 2.2504 6.2 (0,2,4)
40.50 2.2276 5.0 (2,0,4)
40.96 2.2034 13.1 (1,1,6)
41.29 2.1866 1.0 (2,1,3)
44.65 2.0294 17.7 (0,0,8)
47.54 1.9127 2.0 (0,2,6)
47.91 1.8986 2.5 (2,0,6)
47.93 1.8980 30.6 (2,2,0)
49.31 1.8482 2.9 (2,2,2)
53.28 1.7193 1.5 (2,2,4)
53.58 1.7103 1.8 (0,3,3)
56.70 1.6235 1.3 (0,0,10)
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Energy Properties

Formation Energy/atom
-2.13707
eV/atom
Energy/atom
-6.84723
eV/atom
Energy above Hull
0.0014
eV/atom
Uncorrected Energy
-11.7129
eV/atom
Volume/atom
13.00
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
26.6351
μB
Mag. Ordering
FM
Mag. Sites
20
Magnetization/Volume
0.056920
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.556
Element Family
Metalloid-Nonmetal
Solute Fraction
0.444
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9950
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2727
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
53.751%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0529
smaller = more stable mixing
VEC
4.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9057
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.502
Family
O-rich Multi-Component
Matrix Element
O · 0.556

Related Tasks

Related computation task IDs (3)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-645208
Reference Citation

The crystal structure and related material properties of Sr2Co2O5 were obtained from the Materials Project database (MP-ID: mp-645208, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Sr2Co2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32965933
_cell_length_b   5.40813795
_cell_length_c   16.23484467
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Co2O5
_chemical_formula_sum   'Sr8 Co8 O20'
_cell_volume   467.94557920
_cell_formula_units_Z   4
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  -0.00073002  0.50769859  0.88883994  1.0
  Sr  Sr1  1  0.49926998  0.99230141  0.61116006  1.0
  Sr  Sr2  1  0.50073002  0.00769859  0.11116006  1.0
  Sr  Sr3  1  -0.00073002  0.50769859  0.61116006  1.0
  Sr  Sr4  1  0.50073002  0.00769859  0.38883994  1.0
  Sr  Sr5  1  0.49926998  0.99230141  0.88883994  1.0
  Sr  Sr6  1  0.00073002  0.49230141  0.38883994  1.0
  Sr  Sr7  1  0.00073002  0.49230141  0.11116006  1.0
  Co  Co8  1  0.03684881  0.93787695  0.25000000  1.0
  Co  Co9  1  0.46315119  0.43787695  0.75000000  1.0
  Co  Co10  1  0.96315119  0.06212305  0.75000000  1.0
  Co  Co11  1  0.53684881  0.56212305  0.25000000  1.0
  Co  Co12  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co13  1  -0.00000000  0.00000000  0.00000000  1.0
  Co  Co14  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co15  1  -0.00000000  0.00000000  0.50000000  1.0
  O  O16  1  0.60560218  0.11230651  0.75000000  1.0
  O  O17  1  0.74911862  0.75110369  0.49703862  1.0
  O  O18  1  0.99144497  0.02436326  0.35737110  1.0
  O  O19  1  0.89439782  0.61230651  0.25000000  1.0
  O  O20  1  0.00855503  0.97563674  0.64262890  1.0
  O  O21  1  0.39439782  0.88769349  0.25000000  1.0
  O  O22  1  0.49144497  0.47563674  0.14262890  1.0
  O  O23  1  0.00855503  0.97563674  0.85737110  1.0
  O  O24  1  0.10560218  0.38769349  0.75000000  1.0
  O  O25  1  0.50855503  0.52436326  0.85737110  1.0
  O  O26  1  0.49144497  0.47563674  0.35737110  1.0
  O  O27  1  0.50855503  0.52436326  0.64262890  1.0
  O  O28  1  0.75088138  0.25110369  0.99703862  1.0
  O  O29  1  0.24911862  0.74889631  0.00296138  1.0
  O  O30  1  0.25088138  0.24889631  0.99703862  1.0
  O  O31  1  0.99144497  0.02436326  0.14262890  1.0
  O  O32  1  0.25088138  0.24889631  0.50296138  1.0
  O  O33  1  0.74911862  0.75110369  0.00296138  1.0
  O  O34  1  0.75088138  0.25110369  0.50296138  1.0
  O  O35  1  0.24911862  0.74889631  0.49703862  1.0
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