CsSr2CoO4
Alexandria ALEXAlex-ID: agm047643208 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_128_spg63
CsCoO2 SrO
2024-12-23 02:36:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047643208).
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 agm047643208
data_agm047643208
_cell_length_a 6.82461
_cell_length_b 6.82461
_cell_length_c 12.44744
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 149.32923
_cell_volume 295.72945
_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
Cs1 Cs 0.92351 0.07649 0.25000 1.00000
Cs2 Cs 0.07649 0.92351 0.75000 1.00000
Sr1 Sr 0.62805 0.37195 0.04085 1.00000
Sr2 Sr 0.37195 0.62805 0.54085 1.00000
Sr3 Sr 0.37195 0.62805 0.95915 1.00000
Sr4 Sr 0.62805 0.37195 0.45915 1.00000
Co1 Co 0.19458 0.80542 0.25000 1.00000
Co2 Co 0.80542 0.19458 0.75000 1.00000
O1 O 0.74939 0.25061 0.61718 1.00000
O2 O 0.25061 0.74939 0.11718 1.00000
O3 O 0.25061 0.74939 0.38282 1.00000
O4 O 0.74939 0.25061 0.88282 1.00000
O5 O 0.00000 0.00000 0.00000 1.00000
O6 O 0.00000 0.00000 0.50000 1.00000
O7 O 0.61915 0.38085 0.25000 1.00000
O8 O 0.38085 0.61915 0.75000 1.00000
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