LiZn2BiH8
Alexandria ALEXAlex-ID: agm007745686 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1418_spg1
BiH9 ZnH2 LiH BiH2
2024-02-09 11:38:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007745686).
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 agm007745686
data_agm007745686
_cell_length_a 4.74315
_cell_length_b 5.01933
_cell_length_c 6.83110
_cell_angle_alpha 76.60919
_cell_angle_beta 77.71802
_cell_angle_gamma 79.87078
_cell_volume 153.21124
_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
Li1 Li 0.06185 0.92409 0.05711 1.00000
Zn1 Zn 0.18017 0.43993 0.90792 1.00000
Zn2 Zn 0.61553 0.52722 0.16444 1.00000
Bi1 Bi 0.77355 0.98762 0.56403 1.00000
H1 H 0.08752 0.98361 0.34563 1.00000
H2 H 0.35634 0.14896 0.86951 1.00000
H3 H 0.92505 0.25806 0.63388 1.00000
H4 H 0.55708 0.29731 0.39311 1.00000
H5 H 0.13172 0.73756 0.75492 1.00000
H6 H 0.28042 0.54957 0.10642 1.00000
H7 H 0.84358 0.32946 0.01589 1.00000
H8 H 0.68718 0.81661 0.18715 1.00000
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