Bi8As4P
Alexandria ALEXAlex-ID: agm097477593 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1621_spg1
Bi As P
2025-06-18 03:56:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097477593).
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 agm097477593
data_agm097477593
_cell_length_a 4.12454
_cell_length_b 10.77665
_cell_length_c 10.10033
_cell_angle_alpha 80.35856
_cell_angle_beta 103.59915
_cell_angle_gamma 84.80857
_cell_volume 426.22804
_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
Bi1 Bi 0.93429 0.14578 0.22696 1.00000
Bi2 Bi 0.79237 0.61281 0.17172 1.00000
Bi3 Bi 0.58082 0.68402 0.80054 1.00000
Bi4 Bi 0.54807 0.29213 0.53035 1.00000
Bi5 Bi 0.41647 0.73513 0.47800 1.00000
Bi6 Bi 0.33759 0.39798 0.15164 1.00000
Bi7 Bi 0.69487 0.24631 0.85505 1.00000
Bi8 Bi 0.01670 0.89818 0.77369 1.00000
As1 As 0.80551 0.90668 0.15258 1.00000
As2 As 0.14992 0.42425 0.86015 1.00000
As3 As 0.95233 0.55940 0.46268 1.00000
As4 As 0.08251 0.11506 0.51793 1.00000
P1 P 0.18856 0.98226 0.01873 1.00000
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