Sr5Tl3
Alexandria ALEXAlex-ID: agm003220729 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_8_spg140
Sr2Tl SrTl
2021-12-15 16:35:14.147693
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003220729).
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 agm003220729
data_agm003220729
_cell_length_a 10.20926
_cell_length_b 10.20926
_cell_length_c 10.21039
_cell_angle_alpha 128.30882
_cell_angle_beta 128.30882
_cell_angle_gamma 76.11776
_cell_volume 637.00372
_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 0.00000 1.00000
Sr2 Sr 0.50000 0.50000 0.00000 1.00000
Sr3 Sr 0.68371 0.18371 0.15929 1.00000
Sr4 Sr 0.02443 0.52443 0.84068 1.00000
Sr5 Sr 0.52443 0.68367 0.49999 1.00000
Sr6 Sr 0.18367 0.02443 0.49999 1.00000
Sr7 Sr 0.81633 0.97557 0.50001 1.00000
Sr8 Sr 0.47557 0.31633 0.50001 1.00000
Sr9 Sr 0.97557 0.47557 0.15932 1.00000
Sr10 Sr 0.31629 0.81629 0.84071 1.00000
Tl1 Tl 0.74994 0.75006 0.00000 1.00000
Tl2 Tl 0.25006 0.24994 0.00000 1.00000
Tl3 Tl 0.62332 0.12332 0.74657 1.00000
Tl4 Tl 0.37668 0.87668 0.25343 1.00000
Tl5 Tl 0.87671 0.62329 0.50000 1.00000
Tl6 Tl 0.12329 0.37671 0.50000 1.00000
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