Pa2BiH7
Alexandria ALEXAlex-ID: agm006209152 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
PaH4 Bi PaH3
2023-12-15 23:11:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209152).
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 agm006209152
data_agm006209152
_cell_length_a 4.11927
_cell_length_b 4.11936
_cell_length_c 8.92559
_cell_angle_alpha 103.28299
_cell_angle_beta 76.69253
_cell_angle_gamma 119.99634
_cell_volume 126.46037
_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
H1 H 0.03686 0.79181 0.30630 1.00000
H2 H 0.90961 0.91965 0.68734 1.00000
H3 H 0.40971 0.41982 0.68739 1.00000
H4 H 0.03690 0.29164 0.30615 1.00000
H5 H 0.47323 0.85569 0.49682 1.00000
H6 H 0.53673 0.29165 0.30625 1.00000
H7 H 0.90960 0.41986 0.68746 1.00000
Pa1 Pa 0.39069 0.93867 0.74435 1.00000
Pa2 Pa 0.55582 0.77284 0.24929 1.00000
Bi1 Bi 0.97325 0.35575 0.99681 1.00000
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