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
oP
Stability
No
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 |
|---|---|---|---|
| 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) |
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
3.0461
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
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.556
Element Family
N/A
Solute Fraction
0.444
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.502
Family
O-rich Multi-Component
Matrix Element
O · 0.556
Related Tasks
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
3D Crystal Structure Rendering
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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
