P2Os3
Alexandria ALEXAlex-ID: agm005506199 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_555_spg43
P2Os Os
2023-03-20 12:20:25.733044
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506199).
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
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# CIF generated by HEAS from Alexandria entry agm005506199
data_agm005506199
_cell_length_a 7.64105
_cell_length_b 6.14238
_cell_length_c 5.69080
_cell_angle_alpha 80.34216
_cell_angle_beta 52.41721
_cell_angle_gamma 47.24063
_cell_volume 140.79410
_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 0.82943 0.04304 0.60802 1.00000
P2 P 0.51951 0.60802 0.04304 1.00000
P3 P 0.64198 0.73049 0.42057 1.00000
P4 P 0.20696 0.42057 0.73049 1.00000
Os1 Os 0.20556 0.16103 0.07656 1.00000
Os2 Os 0.55685 0.07656 0.16103 1.00000
Os3 Os 0.17344 0.69315 0.04444 1.00000
Os4 Os 0.08897 0.04444 0.69315 1.00000
Os5 Os 0.88864 0.61136 0.61136 1.00000
Os6 Os 0.63864 0.36136 0.36136 1.00000
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