Sr2OsO4
Alexandria ALEXAlex-ID: agm003440344 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_206_spg11
Sr3OsO6 Os
2022-02-18 16:29:59.563146
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003440344).
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 agm003440344
data_agm003440344
_cell_length_a 6.32701
_cell_length_b 5.68035
_cell_length_c 6.89454
_cell_angle_alpha 90.00000
_cell_angle_beta 108.09260
_cell_angle_gamma 90.00000
_cell_volume 235.53571
_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 0.69189 0.75000 0.03231 1.00000
Sr2 Sr 0.30811 0.25000 0.96769 1.00000
Sr3 Sr 0.23111 0.25000 0.43628 1.00000
Sr4 Sr 0.76889 0.75000 0.56372 1.00000
Os1 Os 0.23445 0.75000 0.20758 1.00000
Os2 Os 0.76555 0.25000 0.79242 1.00000
O1 O 0.48903 0.53242 0.25430 1.00000
O2 O 0.06200 0.75000 0.93420 1.00000
O3 O 0.93800 0.25000 0.06580 1.00000
O4 O 0.48903 0.96758 0.25430 1.00000
O5 O 0.96481 0.25000 0.64360 1.00000
O6 O 0.51097 0.03242 0.74570 1.00000
O7 O 0.51097 0.46758 0.74570 1.00000
O8 O 0.03519 0.75000 0.35640 1.00000
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