Sr5(TlBi)2
Alexandria ALEXAlex-ID: agm009969780 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_59_spg64
Sr5Bi3 SrTl Sr16Bi11
2024-04-06 15:02:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009969780).
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 agm009969780
data_agm009969780
_cell_length_a 10.07447
_cell_length_b 10.07447
_cell_length_c 8.70522
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 128.43821
_cell_volume 692.05471
_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
Sr2 Sr 0.50000 0.50000 0.00000 1.00000
Sr3 Sr 0.81066 0.53729 0.66951 1.00000
Sr4 Sr 0.46271 0.18934 0.33049 1.00000
Sr5 Sr 0.96271 0.68934 0.16951 1.00000
Sr6 Sr 0.31066 0.03729 0.83049 1.00000
Sr7 Sr 0.18934 0.46271 0.33049 1.00000
Sr8 Sr 0.53729 0.81066 0.66951 1.00000
Sr9 Sr 0.03729 0.31066 0.83049 1.00000
Sr10 Sr 0.68934 0.96271 0.16951 1.00000
Tl1 Tl 0.21291 0.78709 0.50000 1.00000
Tl2 Tl 0.71291 0.28709 0.00000 1.00000
Tl3 Tl 0.78709 0.21291 0.50000 1.00000
Tl4 Tl 0.28709 0.71291 0.00000 1.00000
Bi1 Bi 0.86777 0.86777 0.86731 1.00000
Bi2 Bi 0.13223 0.13223 0.13269 1.00000
Bi3 Bi 0.63223 0.63223 0.36731 1.00000
Bi4 Bi 0.36777 0.36777 0.63269 1.00000
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