Zn(BiH3)2
Alexandria ALEXAlex-ID: agm097552010 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_651_spg12
BiH2 ZnH2
2025-04-29 18:01:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097552010).
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 agm097552010
data_agm097552010
_cell_length_a 3.26066
_cell_length_b 4.80919
_cell_length_c 9.46225
_cell_angle_alpha 76.86338
_cell_angle_beta 96.68490
_cell_angle_gamma 86.16679
_cell_volume 142.84406
_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
Zn1 Zn 0.57938 0.43861 0.75069 1.00000
Bi1 Bi 0.62260 0.75623 0.06153 1.00000
Bi2 Bi 0.42198 0.07798 0.44297 1.00000
H1 H 0.64260 0.48102 0.94567 1.00000
H2 H 0.48778 0.69656 0.55626 1.00000
H3 H 0.60477 0.10619 0.74522 1.00000
H4 H 0.37180 0.92629 0.27698 1.00000
H5 H 0.06472 0.57220 0.74764 1.00000
H6 H 0.70436 0.44492 0.22303 1.00000
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