Sr3(LiTl)4
Alexandria ALEXAlex-ID: agm005696764 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_0_spg71
Li8Tl3 Li13Tl3 SrTl
2023-07-02 00:55:03.038106
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696764).
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 agm005696764
data_agm005696764
_cell_length_a 4.15802
_cell_length_b 5.02805
_cell_length_c 15.52424
_cell_angle_alpha 80.70979
_cell_angle_beta 82.38741
_cell_angle_gamma 89.97645
_cell_volume 317.40809
_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 0.14846 0.64966 0.70445 1.00000
Sr2 Sr 0.85157 0.35037 0.29555 1.00000
Sr3 Sr 0.00001 0.00001 0.00000 1.00000
Li1 Li 0.59774 0.09839 0.80590 1.00000
Li2 Li 0.25637 0.25532 0.48863 1.00000
Li3 Li 0.74365 0.74471 0.51137 1.00000
Li4 Li 0.40229 0.90164 0.19410 1.00000
Tl1 Tl 0.55253 0.55326 0.89604 1.00000
Tl2 Tl 0.44750 0.44677 0.10396 1.00000
Tl3 Tl 0.30727 0.80586 0.38355 1.00000
Tl4 Tl 0.69275 0.19416 0.61644 1.00000
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