SrYCoO4
Alexandria ALEXAlex-ID: agm005234952 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_504_spg8
Sr2Co2O5 Y2O3
2023-05-12 01:19:39.930759
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005234952).
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 agm005234952
data_agm005234952
_cell_length_a 6.60054
_cell_length_b 6.60054
_cell_length_c 15.11766
_cell_angle_alpha 73.36009
_cell_angle_beta 73.36009
_cell_angle_gamma 33.21953
_cell_volume 344.34393
_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 0.64194 0.64194 0.58915 1.00000
Sr2 Sr 0.64210 0.64210 0.33942 1.00000
Sr3 Sr 0.64470 0.64470 0.09057 1.00000
Sr4 Sr 0.64527 0.64527 0.83732 1.00000
Y1 Y 0.36224 0.36224 0.41080 1.00000
Y2 Y 0.36238 0.36238 0.16218 1.00000
Y3 Y 0.36420 0.36420 0.90618 1.00000
Y4 Y 0.36335 0.36335 0.65727 1.00000
Co1 Co 0.00280 0.00280 0.24941 1.00000
Co2 Co 0.00463 0.00463 0.99928 1.00000
Co3 Co 0.00231 0.00231 0.49903 1.00000
Co4 Co 0.00361 0.00361 0.74900 1.00000
O1 O 0.83943 0.83943 0.54020 1.00000
O2 O 0.84017 0.84017 0.28370 1.00000
O3 O 0.83961 0.83961 0.04227 1.00000
O4 O 0.84160 0.84160 0.79417 1.00000
O5 O 0.17287 0.17287 0.45615 1.00000
O6 O 0.17371 0.17371 0.20880 1.00000
O7 O 0.17782 0.17782 0.95490 1.00000
O8 O 0.17460 0.17460 0.70529 1.00000
O9 O 0.48500 0.48500 0.50333 1.00000
O10 O 0.48438 0.48438 0.25570 1.00000
O11 O 0.48681 0.48681 0.00329 1.00000
O12 O 0.48558 0.48558 0.75180 1.00000
O13 O 0.98250 0.98250 0.37947 1.00000
O14 O 0.99550 0.99550 0.12816 1.00000
O15 O 0.99381 0.99381 0.87490 1.00000
O16 O 0.98466 0.98466 0.62827 1.00000
