CsSrBi
Alexandria ALEXAlex-ID: agm003147686 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_819_spg38
CsSrBi
2016-02-27 03:11:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003147686).
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 agm003147686
data_agm003147686
_cell_length_a 4.73693
_cell_length_b 8.80742
_cell_length_c 10.69812
_cell_angle_alpha 60.94754
_cell_angle_beta 63.72189
_cell_angle_gamma 89.99630
_cell_volume 336.43779
_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
Cs1 Cs 0.12206 0.48721 0.35989 1.00000
Cs2 Cs 0.12542 0.48714 0.85769 1.00000
Sr1 Sr 0.61920 0.98673 0.86173 1.00000
Sr2 Sr 0.11962 0.98763 0.36129 1.00000
Bi1 Bi 0.84177 0.93215 0.13913 1.00000
Bi2 Bi 0.39646 0.04229 0.58446 1.00000
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