P3OsO9
Alexandria ALEXAlex-ID: agm005998436 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_33_spg9
POsO5 Os P2O5
2023-08-10 06:30:56.303981
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998436).
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 agm005998436
data_agm005998436
_cell_length_a 6.57214
_cell_length_b 7.49456
_cell_length_c 8.38347
_cell_angle_alpha 74.02196
_cell_angle_beta 66.92282
_cell_angle_gamma 63.99425
_cell_volume 338.74263
_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
P1 P 0.79858 0.54755 0.67441 1.00000
P2 P 0.97946 0.04755 0.17441 1.00000
P3 P 0.01436 0.95332 0.81866 1.00000
P4 P 0.21366 0.45332 0.31866 1.00000
P5 P 0.55860 0.25000 0.73942 1.00000
P6 P 0.45197 0.75000 0.23942 1.00000
Os1 Os 0.00768 0.50086 0.99689 1.00000
Os2 Os 0.49457 0.00086 0.49689 1.00000
O1 O 0.34390 0.23081 0.32274 1.00000
O2 O 0.10255 0.73081 0.82274 1.00000
O3 O 0.34993 0.30310 0.90284 1.00000
O4 O 0.44413 0.80310 0.40284 1.00000
O5 O 0.16117 0.05957 0.67226 1.00000
O6 O 0.10700 0.55957 0.17226 1.00000
O7 O 0.67826 0.71428 0.08723 1.00000
O8 O 0.52022 0.21428 0.58723 1.00000
O9 O 0.83593 0.94702 0.33073 1.00000
O10 O 0.88633 0.44701 0.83073 1.00000
O11 O 0.63745 0.76422 0.67472 1.00000
O12 O 0.92362 0.26422 0.17472 1.00000
O13 O 0.39251 0.55296 0.30188 1.00000
O14 O 0.75265 0.05296 0.80188 1.00000
O15 O 0.67393 0.41621 0.65497 1.00000
O16 O 0.25489 0.91621 0.15497 1.00000
O17 O 0.96027 0.01760 0.00108 1.00000
O18 O 0.02106 0.51760 0.50108 1.00000
