LiBi2H7
Alexandria ALEXAlex-ID: agm006201396 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1273_spg8
BiH2 BiH9 LiH
2024-02-07 07:22:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201396).
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 agm006201396
data_agm006201396
_cell_length_a 6.58893
_cell_length_b 7.34586
_cell_length_c 7.14775
_cell_angle_alpha 52.37958
_cell_angle_beta 80.97636
_cell_angle_gamma 39.39634
_cell_volume 135.57551
_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 0.07424 0.08724 0.13622 1.00000
H2 H 0.29306 0.83033 0.27147 1.00000
H3 H 0.59478 0.33443 0.28187 1.00000
H4 H 0.49953 0.60150 0.72570 1.00000
H5 H 0.87583 0.78250 0.30890 1.00000
H6 H 0.27243 0.00071 0.82443 1.00000
H7 H 0.82829 0.94381 0.81061 1.00000
Bi1 Bi 0.93944 0.75571 0.64822 1.00000
Bi2 Bi 0.16612 0.20135 0.47251 1.00000
Li1 Li 0.95628 0.96242 0.02007 1.00000
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