Sr2CoO3
Alexandria ALEXAlex-ID: agm003417138 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1126_spg15
SrCoO2 SrO
2022-02-13 20:15:12.609820
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003417138).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003417138
data_agm003417138
_cell_length_a 5.17921
_cell_length_b 7.11333
_cell_length_c 6.21184
_cell_angle_alpha 112.80810
_cell_angle_beta 114.63791
_cell_angle_gamma 90.00000
_cell_volume 188.15295
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1 Sr 0.66986 0.59442 0.33422 1.00000
Sr2 Sr 0.66437 0.09442 0.33422 1.00000
Sr3 Sr 0.33563 0.90558 0.66578 1.00000
Sr4 Sr 0.33014 0.40558 0.66578 1.00000
Co1 Co 0.94988 0.75000 0.00000 1.00000
Co2 Co 0.05012 0.25000 1.00000 1.00000
O1 O 0.43399 0.25000 0.00000 1.00000
O2 O 0.56601 0.75000 1.00000 1.00000
O3 O 0.16476 0.02535 0.30212 1.00000
O4 O 0.86264 0.47465 0.69788 1.00000
O5 O 0.13736 0.52535 0.30212 1.00000
O6 O 0.83524 0.97465 0.69788 1.00000
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