Sr2CoCuO6
Alexandria ALEXAlex-ID: agm002298795 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_608_spg87
SrO4 SrCoO3 Sr2CoO4 Sr(CuO2)2
2023-03-26 13:29:21.360425
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002298795).
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
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# CIF generated by HEAS from Alexandria entry agm002298795
data_agm002298795
_cell_length_a 5.49773
_cell_length_b 5.49815
_cell_length_c 5.47952
_cell_angle_alpha 120.01450
_cell_angle_beta 120.02385
_cell_angle_gamma 90.16174
_cell_volume 116.88460
_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 0.25011 0.74989 0.49999 1.00000
Sr2 Sr 0.74990 0.25010 0.50001 1.00000
Co1 Co 0.50000 0.49999 1.00000 1.00000
O1 O 0.77839 0.77886 0.05464 1.00000
O2 O 0.26134 0.73822 0.00005 1.00000
O3 O 0.73866 0.26178 0.99995 1.00000
O4 O 0.22162 0.22113 0.94536 1.00000
O5 O 0.27748 0.27758 0.49888 1.00000
O6 O 0.72252 0.72242 0.50112 1.00000
Cu1 Cu 1.00000 0.00000 0.00000 1.00000
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