Fe2Bi6HCl3
Alexandria ALEXAlex-ID: agm007753288 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_251_spg12
FeH BiCl3 Fe Bi
2024-06-24 12:02:34.731757
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007753288).
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 agm007753288
data_agm007753288
_cell_length_a 9.59888
_cell_length_b 9.59888
_cell_length_c 8.74560
_cell_angle_alpha 63.02820
_cell_angle_beta 63.02820
_cell_angle_gamma 24.69238
_cell_volume 298.14117
_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
Fe1 Fe 0.15730 0.15730 0.98631 1.00000
Fe2 Fe 0.84270 0.84270 0.01369 1.00000
Bi1 Bi 0.65946 0.65946 0.78904 1.00000
Bi2 Bi 0.32450 0.32450 0.83679 1.00000
Bi3 Bi 0.34054 0.34054 0.21096 1.00000
Bi4 Bi 0.99484 0.99484 0.81682 1.00000
Bi5 Bi 0.00516 0.00516 0.18318 1.00000
Bi6 Bi 0.67550 0.67550 0.16321 1.00000
H1 H 0.50000 0.50000 0.00000 1.00000
Cl1 Cl 0.50000 0.50000 0.50000 1.00000
Cl2 Cl 0.18293 0.18293 0.45475 1.00000
Cl3 Cl 0.81707 0.81707 0.54525 1.00000
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