LaTl2Pd
Alexandria ALEXAlex-ID: agm002878490 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_234_spg122
LaTlPd LaTl3 La8TlPd24
2016-12-16 18:42:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002878490).
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 agm002878490
data_agm002878490
_cell_length_a 4.41324
_cell_length_b 4.41324
_cell_length_c 11.79125
_cell_angle_alpha 79.21405
_cell_angle_beta 79.21405
_cell_angle_gamma 90.00000
_cell_volume 221.46566
_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
Tl1 Tl 0.60263 0.12500 0.25000 1.00000
Tl2 Tl 0.14737 0.62500 0.25000 1.00000
Tl3 Tl 0.37500 0.39737 0.75000 1.00000
Tl4 Tl 0.87500 0.85263 0.75000 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
Pd2 Pd 0.25000 0.75000 0.50000 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
La2 La 0.75000 0.25000 0.50000 1.00000
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