LaTa
Alexandria ALEXAlex-ID: agm005442885 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_260_spg166
Ta La
2023-03-21 09:37:07.409279
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005442885).
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 agm005442885
data_agm005442885
_cell_length_a 5.84717
_cell_length_b 5.84717
_cell_length_c 6.15795
_cell_angle_alpha 61.57904
_cell_angle_beta 61.57904
_cell_angle_gamma 59.88147
_cell_volume 152.18381
_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 0.95229 0.28555 0.64390 1.00000
La2 La 0.71445 0.04771 0.35610 1.00000
La3 La 0.33451 0.66549 0.50000 1.00000
Ta1 Ta 0.33186 0.66814 0.00000 1.00000
Ta2 Ta 0.83251 0.66561 0.00437 1.00000
Ta3 Ta 0.33439 0.16749 0.99563 1.00000
