CsOsNO3
Alexandria ALEXAlex-ID: agm005263375 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_281_spg14
Cs(OsO3)2 CsN6 Cs3(OsO4)2 Os
2023-05-09 21:16:30.708871
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005263375).
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 agm005263375
data_agm005263375
_cell_length_a 7.49617
_cell_length_b 8.29422
_cell_length_c 8.60220
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 534.84104
_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 0.25000 0.15343 0.63238 1.00000
Cs2 Cs 0.75000 0.84657 0.36762 1.00000
Cs3 Cs 0.25000 0.34657 0.13238 1.00000
Cs4 Cs 0.75000 0.65343 0.86762 1.00000
Os1 Os 0.75000 0.15263 0.87899 1.00000
Os2 Os 0.25000 0.65263 0.62101 1.00000
Os3 Os 0.75000 0.34737 0.37899 1.00000
Os4 Os 0.25000 0.84737 0.12101 1.00000
N1 N 0.75000 0.04636 0.70944 1.00000
N2 N 0.75000 0.45364 0.20944 1.00000
N3 N 0.25000 0.95364 0.29056 1.00000
N4 N 0.25000 0.54636 0.79056 1.00000
O1 O 0.75000 0.01240 0.03299 1.00000
O2 O 0.55647 0.27430 0.88168 1.00000
O3 O 0.25000 0.51240 0.46701 1.00000
O4 O 0.94353 0.22570 0.38168 1.00000
O5 O 0.05647 0.72570 0.11832 1.00000
O6 O 0.44353 0.72570 0.11832 1.00000
O7 O 0.25000 0.98760 0.96701 1.00000
O8 O 0.94353 0.27430 0.88168 1.00000
O9 O 0.05647 0.77430 0.61832 1.00000
O10 O 0.55647 0.22570 0.38168 1.00000
O11 O 0.75000 0.48760 0.53299 1.00000
O12 O 0.44353 0.77430 0.61832 1.00000
