SrTlBi4
Alexandria ALEXAlex-ID: agm005771122 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1206_spg12
Tl2Bi Bi SrBi2
2023-07-31 09:32:01.959261
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005771122).
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 agm005771122
data_agm005771122
_cell_length_a 5.62634
_cell_length_b 6.80422
_cell_length_c 6.80453
_cell_angle_alpha 61.27450
_cell_angle_beta 65.57975
_cell_angle_gamma 65.57857
_cell_volume 200.33756
_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 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.00000 0.50000 0.00000 1.00000
Bi1 Bi 0.66754 0.56925 0.59566 1.00000
Bi2 Bi 0.66755 0.09559 0.06930 1.00000
Bi3 Bi 0.33245 0.90441 0.93070 1.00000
Bi4 Bi 0.33246 0.43075 0.40434 1.00000
