Cs3(OsO4)2
Alexandria ALEXAlex-ID: agm005601767 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_4_spg166
Cs3(OsO4)2
2023-06-16 04:38:15.235772
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005601767).
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 agm005601767
data_agm005601767
_cell_length_a 6.56561
_cell_length_b 6.56561
_cell_length_c 8.79251
_cell_angle_alpha 68.07674
_cell_angle_beta 68.07675
_cell_angle_gamma 59.99999
_cell_volume 296.17006
_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 0.00000 0.00000 0.00000 1.00000
Cs2 Cs 0.20260 0.20260 0.39220 1.00000
Cs3 Cs 0.79740 0.79740 0.60780 1.00000
Os1 Os 0.40642 0.40642 0.78073 1.00000
Os2 Os 0.59358 0.59358 0.21927 1.00000
O1 O 0.33147 0.33147 0.00558 1.00000
O2 O 0.66853 0.66853 0.99442 1.00000
O3 O 0.28375 0.72891 0.70359 1.00000
O4 O 0.72891 0.28375 0.70359 1.00000
O5 O 0.28375 0.28375 0.70359 1.00000
O6 O 0.27109 0.71625 0.29641 1.00000
O7 O 0.71625 0.27109 0.29641 1.00000
O8 O 0.71625 0.71625 0.29641 1.00000
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