Sr3Pa5Bi8
Alexandria ALEXAlex-ID: agm009607136 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C8_3_spg166
Pa4Bi5 Pa7Bi Sr2PaBi3
2024-04-06 15:02:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009607136).
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 agm009607136
data_agm009607136
_cell_length_a 9.28101
_cell_length_b 9.28101
_cell_length_c 9.28101
_cell_angle_alpha 59.05209
_cell_angle_beta 59.05209
_cell_angle_gamma 59.05209
_cell_volume 553.06983
_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 0.00000 0.00000 0.50000 1.00000
Sr2 Sr 0.50000 0.00000 0.00000 1.00000
Sr3 Sr 0.00000 0.50000 0.00000 1.00000
Pa1 Pa 0.50000 0.00000 0.50000 1.00000
Pa2 Pa 0.00000 0.50000 0.50000 1.00000
Pa3 Pa 0.00000 0.00000 0.00000 1.00000
Pa4 Pa 0.50000 0.50000 0.00000 1.00000
Pa5 Pa 0.50000 0.50000 0.50000 1.00000
Bi1 Bi 0.73827 0.25031 0.25031 1.00000
Bi2 Bi 0.25031 0.73827 0.25031 1.00000
Bi3 Bi 0.25031 0.25031 0.73827 1.00000
Bi4 Bi 0.74254 0.74254 0.74254 1.00000
Bi5 Bi 0.26173 0.74969 0.74969 1.00000
Bi6 Bi 0.74969 0.26173 0.74969 1.00000
Bi7 Bi 0.74969 0.74969 0.26173 1.00000
Bi8 Bi 0.25746 0.25746 0.25746 1.00000
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