SnBi3H
Alexandria ALEXAlex-ID: agm005915604 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7994_spg2
BiH2 Sn Bi
2023-07-04 06:10:31.262995
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005915604).
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 agm005915604
data_agm005915604
_cell_length_a 9.55363
_cell_length_b 9.26262
_cell_length_c 5.08073
_cell_angle_alpha 84.34622
_cell_angle_beta 83.95237
_cell_angle_gamma 44.55493
_cell_volume 313.50522
_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
Sn1 Sn 0.91957 0.40835 0.53494 1.00000
Sn2 Sn 0.44843 0.89169 0.51991 1.00000
Bi1 Bi 0.25033 0.24556 0.11527 1.00000
Bi2 Bi 0.11759 0.05435 0.93933 1.00000
Bi3 Bi 0.39384 0.42884 0.55187 1.00000
Bi4 Bi 0.59591 0.53858 0.19794 1.00000
Bi5 Bi 0.97451 0.87076 0.50226 1.00000
Bi6 Bi 0.77219 0.76145 0.85664 1.00000
H1 H 0.42077 0.49789 0.86084 1.00000
H2 H 0.94752 0.80164 0.19340 1.00000
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