SrBiH2
Alexandria ALEXAlex-ID: agm005772559 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8778_spg2
Sr2BiH2 BiH2
2023-07-09 23:00:29.852430
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772559).
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 agm005772559
data_agm005772559
_cell_length_a 6.16681
_cell_length_b 4.41057
_cell_length_c 7.22451
_cell_angle_alpha 105.72109
_cell_angle_beta 114.38897
_cell_angle_gamma 94.46864
_cell_volume 168.18545
_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
Sr1 Sr 0.63702 0.24647 0.47561 1.00000
Sr2 Sr 0.61298 0.50353 0.02439 1.00000
Bi1 Bi 0.05765 0.94423 0.94064 1.00000
Bi2 Bi 0.19235 0.80577 0.55936 1.00000
H1 H 0.71825 0.08307 0.17218 1.00000
H2 H 0.53175 0.66693 0.32782 1.00000
H3 H 0.93721 0.31143 0.87466 1.00000
H4 H 0.31279 0.43857 0.62533 1.00000
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