La5(ScTl)4
Alexandria ALEXAlex-ID: agm005716680 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B4C5_13_spg87
LaScTl La5Tl3 Sc
2023-07-01 01:38:09.792366
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005716680).
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 agm005716680
data_agm005716680
_cell_length_a 4.79359
_cell_length_b 9.42449
_cell_length_c 9.42449
_cell_angle_alpha 86.29171
_cell_angle_beta 75.26695
_cell_angle_gamma 75.26694
_cell_volume 398.23415
_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
La1 La 0.70174 0.92802 0.66850 1.00000
La2 La 0.29826 0.07198 0.33150 1.00000
La3 La 0.00000 0.00000 0.00000 1.00000
La4 La 0.62976 0.66850 0.07198 1.00000
La5 La 0.37024 0.33150 0.92802 1.00000
Sc1 Sc 0.90263 0.52455 0.67019 1.00000
Sc2 Sc 0.57282 0.32981 0.52455 1.00000
Sc3 Sc 0.09737 0.47545 0.32981 1.00000
Sc4 Sc 0.42718 0.67019 0.47545 1.00000
Tl1 Tl 0.74513 0.31717 0.19257 1.00000
Tl2 Tl 0.25487 0.68283 0.80743 1.00000
Tl3 Tl 0.93770 0.80743 0.31717 1.00000
Tl4 Tl 0.06230 0.19257 0.68283 1.00000
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