Sr2Tl5
Alexandria ALEXAlex-ID: agm005532076 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_4_spg12
SrTl5 SrTl2
2023-05-29 17:44:38.712006
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005532076).
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 agm005532076
data_agm005532076
_cell_length_a 4.27604
_cell_length_b 6.45008
_cell_length_c 8.88471
_cell_angle_alpha 98.01951
_cell_angle_beta 90.00000
_cell_angle_gamma 109.35814
_cell_volume 228.65246
_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 0.07111 0.14221 0.22074 1.00000
Sr2 Sr 0.92889 0.85779 0.77926 1.00000
Tl1 Tl 0.34546 0.69092 0.07320 1.00000
Tl2 Tl 0.65454 0.30908 0.92680 1.00000
Tl3 Tl 0.20799 0.41598 0.63980 1.00000
Tl4 Tl 0.50000 0.00000 0.50000 1.00000
Tl5 Tl 0.79201 0.58402 0.36020 1.00000
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