La2CeTl2
Alexandria ALEXAlex-ID: agm005961818 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_509_spg12
Ce LaTl
2023-08-03 21:30:30.234934
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961818).
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 agm005961818
data_agm005961818
_cell_length_a 4.59683
_cell_length_b 6.12937
_cell_length_c 12.81841
_cell_angle_alpha 105.71505
_cell_angle_beta 79.67067
_cell_angle_gamma 67.97664
_cell_volume 305.91799
_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 0.09644 0.25506 0.55206 1.00000
La2 La 0.69507 0.75929 0.85057 1.00000
La3 La 0.90356 0.74494 0.44794 1.00000
La4 La 0.30493 0.24071 0.14943 1.00000
Ce1 Ce 0.51054 0.21580 0.76312 1.00000
Ce2 Ce 0.48946 0.78420 0.23688 1.00000
Tl1 Tl 0.69228 0.26362 0.35182 1.00000
Tl2 Tl 0.88860 0.26685 0.95595 1.00000
Tl3 Tl 0.30772 0.73638 0.64818 1.00000
Tl4 Tl 0.11140 0.73315 0.04405 1.00000
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