Cs3CoO2
Alexandria ALEXAlex-ID: agm005673002 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_87_spg14
Cs3CoO2
2023-08-24 02:21:48.800247
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673002).
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 agm005673002
data_agm005673002
_cell_length_a 7.26321
_cell_length_b 10.22771
_cell_length_c 9.91091
_cell_angle_alpha 90.00000
_cell_angle_beta 108.74577
_cell_angle_gamma 90.00000
_cell_volume 697.18703
_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 0.25497 0.96044 0.00325 1.00000
Cs2 Cs 0.24503 0.46044 0.49675 1.00000
Cs3 Cs 0.74503 0.03956 0.99675 1.00000
Cs4 Cs 0.75497 0.53956 0.50325 1.00000
Cs5 Cs 0.35435 0.53444 0.12229 1.00000
Cs6 Cs 0.14565 0.03444 0.37771 1.00000
Cs7 Cs 0.64565 0.46556 0.87771 1.00000
Cs8 Cs 0.85435 0.96556 0.62229 1.00000
Cs9 Cs 0.92417 0.70786 0.18870 1.00000
Cs10 Cs 0.57583 0.20786 0.31130 1.00000
Cs11 Cs 0.07583 0.29214 0.81130 1.00000
Cs12 Cs 0.42417 0.79214 0.68870 1.00000
Co1 Co 0.52965 0.82212 0.32515 1.00000
Co2 Co 0.97035 0.32212 0.17485 1.00000
Co3 Co 0.47036 0.17788 0.67485 1.00000
Co4 Co 0.02965 0.67788 0.82515 1.00000
O1 O 0.68702 0.93245 0.27587 1.00000
O2 O 0.81298 0.43245 0.22413 1.00000
O3 O 0.31298 0.06755 0.72413 1.00000
O4 O 0.18702 0.56755 0.77587 1.00000
O5 O 0.38081 0.70624 0.37650 1.00000
O6 O 0.11919 0.20624 0.12350 1.00000
O7 O 0.61919 0.29376 0.62350 1.00000
O8 O 0.88081 0.79376 0.87650 1.00000
