BiH7C2
Alexandria ALEXAlex-ID: agm006201513 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_610_spg8
H4C Bi C
2023-10-25 13:44:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201513).
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 agm006201513
data_agm006201513
_cell_length_a 8.67668
_cell_length_b 8.02235
_cell_length_c 7.11415
_cell_angle_alpha 155.56722
_cell_angle_beta 47.44396
_cell_angle_gamma 125.69471
_cell_volume 150.02905
_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 0.27691 0.80596 0.84607 1.00000
H2 H 0.72389 0.83480 0.98761 1.00000
H3 H 0.52285 0.50155 0.83514 1.00000
H4 H 0.16789 0.28150 0.33121 1.00000
H5 H 0.54112 0.89852 0.39443 1.00000
H6 H 0.38453 0.25634 0.29026 1.00000
H7 H 0.73696 0.47276 0.79218 1.00000
C1 C 0.24015 0.12684 0.23650 1.00000
C2 C 0.63131 0.67672 0.00193 1.00000
Bi1 Bi 0.00679 0.20240 0.75285 1.00000
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