Pa8Bi2Os
Alexandria ALEXAlex-ID: agm003533693 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_306_spg12
Pa4Bi5 Pa7Bi PaOs
2022-03-17 01:48:57.724430
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003533693).
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 agm003533693
data_agm003533693
_cell_length_a 5.33343
_cell_length_b 5.81089
_cell_length_c 9.30740
_cell_angle_alpha 93.38297
_cell_angle_beta 106.64946
_cell_angle_gamma 90.00000
_cell_volume 275.83628
_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
Pa1 Pa 0.41802 0.42967 0.83605 1.00000
Pa2 Pa 0.65727 0.16877 0.31454 1.00000
Pa3 Pa 0.76741 0.67046 0.53482 1.00000
Pa4 Pa 0.03572 0.22238 0.07143 1.00000
Pa5 Pa 0.23259 0.32954 0.46518 1.00000
Pa6 Pa 0.34273 0.83123 0.68546 1.00000
Pa7 Pa 0.58198 0.57033 0.16395 1.00000
Pa8 Pa 0.96429 0.77762 0.92857 1.00000
Bi1 Bi 0.84347 0.19147 0.68693 1.00000
Bi2 Bi 0.15653 0.80853 0.31307 1.00000
Os1 Os 0.50000 0.00000 0.00000 1.00000
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