Pa3CoOs2
Alexandria ALEXAlex-ID: agm005753075 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_315_spg62
PaCo PaOs
2023-08-17 12:42:02.661248
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753075).
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 agm005753075
data_agm005753075
_cell_length_a 3.85044
_cell_length_b 10.94030
_cell_length_c 11.80909
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 497.45734
_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
Pa1 Pa 0.25000 0.36505 0.05565 1.00000
Pa2 Pa 0.75000 0.63495 0.94435 1.00000
Pa3 Pa 0.75000 0.86505 0.44435 1.00000
Pa4 Pa 0.25000 0.13495 0.55565 1.00000
Pa5 Pa 0.25000 0.67954 0.21629 1.00000
Pa6 Pa 0.75000 0.32046 0.78371 1.00000
Pa7 Pa 0.75000 0.17954 0.28371 1.00000
Pa8 Pa 0.25000 0.82046 0.71629 1.00000
Pa9 Pa 0.25000 0.43829 0.37833 1.00000
Pa10 Pa 0.75000 0.56171 0.62167 1.00000
Pa11 Pa 0.75000 0.93829 0.12167 1.00000
Pa12 Pa 0.25000 0.06171 0.87833 1.00000
Co1 Co 0.25000 0.10875 0.13196 1.00000
Co2 Co 0.75000 0.89125 0.86804 1.00000
Co3 Co 0.75000 0.60875 0.36804 1.00000
Co4 Co 0.25000 0.39125 0.63196 1.00000
Os1 Os 0.25000 0.69437 0.50679 1.00000
Os2 Os 0.75000 0.30563 0.49321 1.00000
Os3 Os 0.75000 0.19437 0.99321 1.00000
Os4 Os 0.25000 0.80563 0.00679 1.00000
Os5 Os 0.25000 0.99899 0.33460 1.00000
Os6 Os 0.75000 0.00101 0.66540 1.00000
Os7 Os 0.75000 0.49899 0.16540 1.00000
Os8 Os 0.25000 0.50101 0.83460 1.00000
