LaTa2
Alexandria ALEXAlex-ID: agm005442438 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_285_spg140
Ta La
2023-03-21 09:31:24.260998
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005442438).
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 agm005442438
data_agm005442438
_cell_length_a 6.78960
_cell_length_b 6.78960
_cell_length_c 6.78960
_cell_angle_alpha 133.62689
_cell_angle_beta 133.62689
_cell_angle_gamma 67.67136
_cell_volume 161.21016
_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 0.25000 0.25000 0.00000 1.00000
La2 La 0.75000 0.75000 0.00000 1.00000
Ta1 Ta 0.18199 0.31801 0.50000 1.00000
Ta2 Ta 0.31801 0.81801 0.13601 1.00000
Ta3 Ta 0.68199 0.18199 0.86399 1.00000
Ta4 Ta 0.81801 0.68199 0.50000 1.00000
